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Hwang, Wonmuk; Austin, Steven L; Blondel, Arnaud; Boittier, Eric D; Boresch, Stefan; Buck, Matthias; Buckner, Joshua; Caflisch, Amedeo; Chang, Hao-Ting; Cheng, Xi; Choi, Yeol Kyo; Chu, Jhih-Wei; Crowley, Michael F; Cui, Qiang; Damjanovic, Ana; Deng, Yuqing; Devereux, Mike; Ding, Xinqiang; Feig, Michael F; Gao, Jiali; Glowacki, David R; Gonzales, James E; Hamaneh, Mehdi Bagerhi; Harder, Edward D; Hayes, Ryan L; Huang, Jing; Huang, Yandong; Hudson, Phillip S; Im, Wonpil; Islam, Shahidul M; et al (2024). CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. Journal of Physical Chemistry B, 128(41):9976-10042.
Cheng-Sánchez, Iván; Gosselé, Katherine; Palaferri, Leonardo; Laul, Eleen; Riccabella, Gionata; Bedi, Rajiv K; Li, Yaozong; Müller, Anna; Corbeski, Ivan; Caflisch, Amedeo; Nevado, Cristina (2024). Structure-Based Design of CBP/EP300 Degraders: When Cooperativity Overcomes Affinity. JACS Au, 4(9):3466-3474.
Maggi, Jordi; Feil, Silke; Gloggnitzer, Jiradet; Maggi, Kevin; Bachmann-Gagescu, Ruxandra; Gerth-Kahlert, Christina; Koller, Samuel; Berger, Wolfgang (2024). Nanopore Deep Sequencing as a Tool to Characterize and Quantify Aberrant Splicing Caused by Variants in Inherited Retinal Dystrophy Genes. International Journal of Molecular Sciences, 25(17):9569.
Tkacz, Karolina; Rolski, Filip; Stefańska, Monika; Węglarczyk, Kazimierz; Szatanek, Rafał; Siedlar, Maciej; Kania, Gabriela; Błyszczuk, Przemysław (2024). TGF-β Signalling Regulates Cytokine Production in Inflammatory Cardiac Macrophages during Experimental Autoimmune Myocarditis. International Journal of Molecular Sciences, 25(11):5579.
Kessler, Franziska; Arnke, Kevin; Eggerschwiler, Benjamin; Neldner, Yvonne; Märsmann, Sonja; Gröninger, Olivier; Casanova, Elisa A; Weber, Fabienne A; König, Matthias A; Stark, Wendelin J; Pape, Hans-Christoph; Cinelli, Paolo; Tiziani, Simon (2024). Murine iPSC-Loaded Scaffold Grafts Improve Bone Regeneration in Critical-Size Bone Defects. International Journal of Molecular Sciences, 25(10):5555.
Capdevila, Bernat; Crivellin, Andreas; Matias, Joaquim (2024). Review of semileptonic B anomalies. European Physical Journal. Special Topics, 233(2):409-428.
Maevskaia, Ekaterina; Guerrero, Julien; Ghayor, Chafik; Bhattacharya, Indranil; Weber, Franz E (2024). Functionalization of Ceramic Scaffolds with Exosomes from Bone Marrow Mesenchymal Stromal Cells for Bone Tissue Engineering. International Journal of Molecular Sciences, 25(7):3826.
Diulus, J Trey; Novotny, Zbynek; Dongfang, Nanchen; Beckord, Jan; Al-Hamdani, Yasmine; Comini, Nicoló; Muntwiler, Matthias; Hengsberger, Matthias; Iannuzzi, Marcella; Osterwalder, Jürg (2024). h-BN/Metal-Oxide Interface Grown by Intercalation: A Model System for Nano-Confined Catalysis. Journal of Physical Chemistry C, 128(12):5156-5167.
Errani, Francesco; Invernizzi, Annalisa; Herok, Marcin; Bochenkova, Elena; Stamm, Fiona; Corbeski, Ivan; Romanucci, Valeria; Di Fabio, Giovanni; Zálešák, František; Caflisch, Amedeo (2024). Proteolysis Targeting Chimera Degraders of the METTL3-14 m$^{6}$A-RNA Methyltransferase. JACS Au, 4(2):713-729.
Bussy, Augustin; Hutter, Jürg (2024). Efficient periodic resolution-of-the-identity Hartree–Fock exchange method with k-point sampling and Gaussian basis sets. Journal of Chemical Physics, 160(6):064116.
Csucker, Joshua; Decrausaz, Nathalie; Jäggi, Sarah Isabella; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger (2024). Synthesis and Photophysical Evaluation of 3,3’‐Nitrogen Bis‐Substituted $fac$‐[Re(CO)$_3$(Diimine)Br] Complexes. Helvetica Chimica Acta, 107(2):e202300239.
Taghizadeh Shool, Maryam; Amiri Rudbari, Hadi; Cuevas-Vicario, José V; Rodríguez-Rubio, Andrea; Stagno, Claudio; Iraci, Nunzio; Efferth, Thomas; Omer, Ejlal A; Schirmeister, Tanja; Blacque, Olivier; Moini, Nakisa; Sheibani, Esmail; Micale, Nicola (2024). Investigating the Cytotoxicity of Ru(II) Polypyridyl Complexes by Changing the Electronic Structure of Salicylaldehyde Ligands. Inorganic Chemistry, 63(2):1083-1101.
Stein, Frederick; Hutter, Jürg (2024). Massively parallel implementation of gradients within the random phase approximation: Application to the polymorphs of benzene. Journal of Chemical Physics, 160(2):024120.
Mazzola, Guglielmo (2024). Quantum computing for chemistry and physics applications from a Monte Carlo perspective. Journal of Chemical Physics, 160(1):010901.
Velasquez, Nicolas; B. Nunes, Fernanda; Travnikova, Oksana; Ismail, Iyas; Guillemin, Renaud; Martins, Jessica B; Céolin, Denis; Journel, Loïc; Fillaud, Laure; Koulentianos, Dimitris; Kamal, Chinnathambi; Püttner, Ralph; Piancastelli, Maria Novella; Simon, Marc; Odelius, Michael; Iannuzzi, Marcella; Marchenko, Tatiana (2024). X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy. Physical Chemistry Chemical Physics (PCCP), 26(2):1234-1244.
Arnke, Kevin; Pfister, Pablo; Reid, Gregory; Vasella, Mauro; Ruhl, Tim; Seitz, Ann-Kathrin; Lindenblatt, Nicole; Cinelli, Paolo; Kim, Bong-Sung (2023). Impact of a High-Fat Diet at a Young Age on Wound Healing in Mice. International Journal of Molecular Sciences, 24(24):17299.
Wernlé, Kendra; Thiel, Cora S; Ullrich, Oliver (2023). Increased H3K9me3 and F-Actin Reorganization in the Rapid Adaptive Response to Hypergravity in Human T Lymphocytes. International Journal of Molecular Sciences, 24(24):17232.
van der Voorn, Stephanie M; van Drie, Esmée; Proost, Virginnio; Dimitrova, Kristina; Netherlands ACM/PLN Registry; Ernst, Robert F; James, Cynthia A; Tichnell, Crystal; Murray, Brittney; Calkins, Hugh; Saguner, Ardan M; Duru, Firat; Ellinor, Patrick T; Bezzina, Connie R; Jurgens, Sean J; van Tintelen, J Peter; van Veen, Toon A B (2023). Lack of Evidence for the Role of the p.(Ser96Ala) Polymorphism in Histidine-Rich Calcium Binding Protein as a Secondary Hit in Cardiomyopathies. International Journal of Molecular Sciences, 24(21):15931.
Alberto, Roger (2023). From carbonyls to $π$-aromatic arenes: A thirty years journey through organometallic technetium chemistry. Journal of Organometallic Chemistry, 1000:122828.
Kama, Dumisani V; Frei, Angelo; Twigge, Linette; Brink, Alice; Alberto, Roger; Roodt, Andreas (2023). Spectroscopic, X-ray crystallographic and preliminary biological screening study of unsymmetrical diphosphinoamine (PNP’) and monodentate aminophosphine (PNH) ligands coordinated to Pt(II). Inorganica Chimica Acta, 557:121656.
Perren, Leonie; Busch, Moana; Schuler, Cordelia; Ruiz, Pedro A; Foti, Federica; Weibel, Nathalie; de Vallière, Cheryl; Morsy, Yasser; Seuwen, Klaus; Hausmann, Martin; Rogler, Gerhard (2023). OGR1 (GPR68) and TDAG8 (GPR65) Have Antagonistic Effects in Models of Colonic Inflammation. International Journal of Molecular Sciences, 24(19):14855.
Fischer, Jacqueline; Erkner, Estelle; Fitzel, Rahel; Radszuweit, Pia; Keppeler, Hildegard; Korkmaz, Fulya; Roti, Giovanni; Lengerke, Claudia; Schneidawind, Dominik; Schneidawind, Corina (2023). Uncovering NOTCH1 as a Promising Target in the Treatment of MLL-Rearranged Leukemia. International Journal of Molecular Sciences, 24(19):14466.
Botter, Sander M; Kessler, Thomas M (2023). Neuro-Urology and Biobanking: An Integrated Approach for Advancing Research and Improving Patient Care. International Journal of Molecular Sciences, 24(18):14281.
Comini, Nicolò; Diulus, John Trey; Parkinson, Gareth S; Osterwalder, Jürg; Novotny, Zbynek (2023). Stability of Iridium Single Atoms on Fe3O4(001) in the mbar Pressure Range. Journal of Physical Chemistry C, 127(38):19097-19106.
Vasella, Mauro; Arnke, Kevin; Dranseikiene, Dalia; Guzzi, Elia; Melega, Francesca; Reid, Gregory; Klein, Holger Jan; Schweizer, Riccardo; Tibbitt, Mark W; Kim, Bong-Sung (2023). Methacrylated Gelatin as a Scaffold for Mechanically Isolated Stromal Vascular Fraction for Cutaneous Wound Repair. International Journal of Molecular Sciences, 24(18):13944.
Bhat, Musadiq A; Grampp, Thomas; Benke, Dietmar (2023). ERK1/2-Dependent Phosphorylation of GABA$_{B1}$(S867/T872), Controlled by CaMKIIβ, Is Required for GABA$_{B}$ Receptor Degradation under Physiological and Pathological Conditions. International Journal of Molecular Sciences, 24(17):13436.
Kreienbühl, Jessica; Changkhong, Sakunthip; Orlowski, Vanessa; Kirschner, Michaela B; Opitz, Isabelle; Meerang, Mayura (2023). Cullin 4B Ubiquitin Ligase Is Important for Cell Survival and Regulates TGF-β1 Expression in Pleural Mesothelioma. International Journal of Molecular Sciences, 24(17):13410.
Ojosnegros, Sara; Alvarez, José Manuel; Grossmann, Jonas; Gagliardini, Valeria; Quintanilla, Luis G; Grossniklaus, Ueli; Fernández, Helena (2023). Proteome and Interactome Linked to Metabolism, Genetic Information Processing, and Abiotic Stress in Gametophytes of Two Woodferns. International Journal of Molecular Sciences, 24(15):online.
Kuzmanov, Aleksandar; Salemi, Souzan; Schmid, Florian A; Burger, Irene A; Eberli, Daniel; Kranzbühler, Benedikt (2023). Improved Prostate-Specific Membrane Antigen (PSMA) Stimulation Using a Super Additive Effect of Dutasteride and Lovastatin In Vitro. International Journal of Molecular Sciences, 24(15):12338.
Mlostoń, Grzegorz; Wreczycki, Jakub; Robak, Amelia; Urbaniak, Katarzyna; Bielinski, Dariusz M; Palusiak, Marcin; Sutula, Szymon; Woźniak, Krzysztof; Heimgartner, Heinz (2023). Expedient sulfurization with elemental sulfur and an unexpected conversion of 2,3-diarylcyclopropenethiones using tetrabutylammonium fluoride (TBAF) as a source of the fluoride anion. Journal of Fluorine Chemistry, 270:110170.
Baljozović, Miloš; Arnoldi, Benito; Grass, Stéphane; Lacour, Jerome; Aeschlimann, Martin; Stadtmüller, Benjamin; Ernst, Karl-Heinz (2023). Spin- and angle-resolved photoemission spectroscopy study of heptahelicene layers on Cu(111) surfaces. Journal of Chemical Physics, 159(4):044701.
Hierlmeier, Ina; Guillou, Amaury; Earley, Daniel F; Linden, Anthony; Holland, Jason P; Bartholomä, Mark D (2023). HNODThia: A Promising Chelator for the Development of $^{64}$Cu Radiopharmaceuticals. Inorganic Chemistry, 62(50):20537-20558.
Helbing, Jan; Hamm, Peter (2023). Versatile Femtosecond Laser Synchronization for Multiple-Timescale Transient Infrared Spectroscopy. ACS Applied Bio Materials, 127(30):6347-6356.
Vargas-Rosales, Pablo Andrés; D'Addio, Alessio; Zhang, Yang; Caflisch, Amedeo (2023). Disrupting Dimeric β-Amyloid by Electric Fields. ACS Physical Chemistry Au, 3(5):456-466.
Besmer, Manuel Luca; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Sattelberger, Alfred P; Alberto, Roger (2023). Binding Small Molecules to a cis-Dicarbonyl $^{\text{99}}$$Tc^{\text{I}}$-PNP Complex via Metal–Ligand Cooperativity. Inorganic Chemistry, 62(27):10727-10735.
Alberto, Roger (2023). Role of Pure Technetium Chemistry: Are There Still Links to Applications in Imaging? ACS Applied Bio Materials, 62(50):20539-20548.
Widmer, Julian; Langini, Cassiano; Vitalis, Andreas; Caflisch, Amedeo (2023). Optimized reaction coordinates for analysis of enhanced sampling. Journal of Chemical Physics, 159(1):015101.
Neuber, Sebastian; Ermer, Miriam R; Emmert, Maximilian Y; Nazari-Shafti, Timo Z (2023). Treatment of Cardiac Fibrosis with Extracellular Vesicles: What Is Missing for Clinical Translation? International Journal of Molecular Sciences, 24(13):10480.
Rieber, Julia; Meier-Bürgisser, Gabriella; Miescher, Iris; Weber, Franz E; Wolint, Petra; Yao, Yang; Ongini, Esteban; Milionis, Athanasios; Snedeker, Jess G; Calcagni, Maurizio; Buschmann, Johanna (2023). Bioactive and Elastic Emulsion Electrospun DegraPol Tubes Delivering IGF-1 for Tendon Rupture Repair. International Journal of Molecular Sciences, 24(12):10272.
Oi, Kathryn K; Moehle, Kerstin; Schuster, Matthias; Zerbe, Oliver (2023). Early molecular insights into thanatin analogues binding to A. baumannii LptA. Molecules, 28(11):4335.
Mohajeri, M Hasan (2023). Nutrition and Aging. International Journal of Molecular Sciences, 24(11):9265.
Turco, Elia; Bernhardt, Annika; Krane, Nils; Valenta, Leoš; Fasel, Roman; Juricek, Michal; Ruffieux, Pascal (2023). Observation of the Magnetic Ground State of the Two Smallest Triangular Nanographenes. JACS Au, 3(5):1358-1364.
Ditler, Edward; Mattiat, Johann; Luber, Sandra (2023). The position operator problem in periodic calculations with an emphasis on theoretical spectroscopy. Physical Chemistry Chemical Physics (PCCP), 25(21):14672-14685.
Puig-Bosch, Xènia; Ballmann, Markus; Bieletzki, Stefan; Antkowiak, Bernd; Rudolph, Uwe; Zeilhofer, Hanns Ulrich; Rammes, Gerhard (2023). Neurosteroids Mediate Neuroprotection in an In Vitro Model of Hypoxic/Hypoglycaemic Excitotoxicity via δ-GABA$_{A}$ Receptors without Affecting Synaptic Plasticity. International Journal of Molecular Sciences, 24(10):9056.
Han, Ruocheng; Luber, Sandra; Li Manni, Giovanni (2023). Magnetic Interactions in a [Co(II)3Er(III)(OR)4] Model Cubane through Forefront Multiconfigurational Methods. Journal of Chemical Theory and Computation, 19(10):2811-2826.
Bussy, Augustin; Schütt, Ole; Hutter, Jürg (2023). Sparse tensor based nuclear gradients for periodic Hartree–Fock and low-scaling correlated wave function methods in the CP2K software package: A massively parallel and GPU accelerated implementation. Journal of Chemical Physics, 158(16):164109.
Hoff, Lukas V; Schnell, Simon D; Benchimol, Elie; Foutinho, Fabio Pereira; Tomio, Andrea; Rickhaus, Michel; Gademann, Karl (2023). Preparation of 3-Bromo-1,2,4,5-tetrazine. Helvetica Chimica Acta, 106(4):e202200198.
Grayfer, Tatyana D; Yamani, Khalil; Jung, Erik; Chesnokov, Gleb A; Ferrara, Isabella; Hsiao, Chien-Chi; Georgiou, Antri; Michel, Jeremy; Bailly, Aurélien; Sieber, Simon; Eberl, Leo; Gademann, Karl (2023). Allylic Carbocyclic Inhibitors Covalently Bind Glycoside Hydrolases. JACS Au, 3(4):1151-1161.
von Atzigen, Julia; Burger, Anna; Grünherz, Lisanne; Barbon, Carlotta; Felmerer, Gunther; Giovanoli, Pietro; Lindenblatt, Nicole; Wolf, Stefan; Gousopoulos, Epameinondas (2023). A Comparative Analysis to Dissect the Histological and Molecular Differences among Lipedema, Lipohypertrophy and Secondary Lymphedema. International Journal of Molecular Sciences, 24(8):7591.
Janker, Stefanie; Doswald, Simon; Schimmer, Roman R; Schanz, Urs; Stark, Wendelin J; Schläpfer, Martin; Beck-Schimmer, Beatrice (2023). Targeted Large-Volume Lymphocyte Removal Using Magnetic Nanoparticles in Blood Samples of Patients with Chronic Lymphocytic Leukemia: A Proof-of-Concept Study. International Journal of Molecular Sciences, 24(8):7523.
Battistin, Federica; Fox, Thomas; Blacque, Olivier; Alberto, Roger (2023). Reactivities of [Re(η6-C6H6)(η6-C10H8)]+ and [Re(η6-C10H8)2]+ with Cyclic, Nonaromatic Polyenes. ACS Applied Bio Materials, 42(9):838-845.
Juricek, Michal; Mayor, Marcel (2023). Synthetic Approaches to Molecular Fragments of Carbon Allotropes. European Journal of Organic Chemistry, 26(15):e202300108.
Tamburello, Mariangela; Abate, Andrea; Rossini, Elisa; Basnet, Ram Manohar; Zizioli, Daniela; Cosentini, Deborah; Hantel, Constanze; Laganà, Marta; Tiberio, Guido Alberto Massimo; Grisanti, Salvatore; Memo, Maurizio; Berruti, Alfredo; Sigala, Sandra (2023). Preclinical Evidence of Progesterone as a New Pharmacological Strategy in Human Adrenocortical Carcinoma Cell Lines. International Journal of Molecular Sciences, 24(7):6829.
Rossi, Valentina A; Gruebler, Martin; Monzo, Luca; Galluzzo, Alessandro; Beltrami, Matteo (2023). The Different Pathways of Epicardial Adipose Tissue across the Heart Failure Phenotypes: From Pathophysiology to Therapeutic Target. International Journal of Molecular Sciences, 24(7):6838.
Oluoch, Peter O; Forconi, Catherine S; Oduor, Cliff I; Ritacco, Dominic A; Akala, Hoseah M; Bailey, Jeffrey A; Juliano, Jonathan J; Ong'echa, John M; Münz, Christian; Moormann, Ann M (2023). Distinctive Kaposi Sarcoma-Associated Herpesvirus Serological Profile during Acute Plasmodium falciparum Malaria Episodes. International Journal of Molecular Sciences, 24(7):6711.
Brandalise Nunes, Fernanda; Comini, Nicolò; Diulus, John Trey; Huthwelker, Thomas; Iannuzzi, Marcella; Osterwalder, Jürg; Novotny, Zbynek (2023). Dynamic Equilibrium at the HCOOH-Saturated TiO$_{2}$(110)-Water Interface. Journal of Physical Chemistry Letters, 14(13):3132-3138.
Guerrero, Julien; Maevskaia, Ekaterina; Ghayor, Chafik; Bhattacharya, Indranil; Weber, Franz E (2023). Influence of Scaffold Microarchitecture on Angiogenesis and Regulation of Cell Differentiation during the Early Phase of Bone Healing: A Transcriptomics and Histological Analysis. International Journal of Molecular Sciences, 24(6):6000.
Bolliger, Robin; Siebenmann, Lukas; Wolf, Emily; Ross, Megan; Meola, Giuseppe; Blacque, Olivier; Braband, Henrik; Alberto, Roger (2023). Exploring Rhenium Arene Piano-Stool Chemistry with [Re(η6-C6H6)(NCCH3)3]+: A Powerful Semi-Solvated Precursor. Inorganic Chemistry, 62(10):4227-4237.
Martin, Marcy; Gähwiler, Eric K N; Generali, Melanie; Hoerstrup, Simon P; Emmert, Maximilian Y (2023). Advances in 3D Organoid Models for Stem Cell-Based Cardiac Regeneration. International Journal of Molecular Sciences, 24(6):5188.
Heckmeier, Philipp J; Ruf, Jeannette; Janković, Brankica G; Hamm, Peter (2023). MCL-1 promiscuity and the structural resilience of its binding partners. Journal of Chemical Physics, 158(9):095101.
Mengozzi, Alessandro; Costantino, Sarah; Mongelli, Alessia; Mohammed, Shafeeq A; Gorica, Era; Delfine, Valentina; Masi, Stefano; Virdis, Agostino; Ruschitzka, Frank; Paneni, Francesco (2023). Epigenetic Signatures in Arterial Hypertension: Focus on the Microvasculature. International Journal of Molecular Sciences, 24(5):4854.
Wang, Deqi; Gao, Yifeng; Gao, Shoujian; Huang, Haikang; Min, Fan; Li, Yixuan; Seeger, Stefan; Jin, Jian; Chu, Zonglin (2023). Antifouling superhydrophilic porous glass membrane based on sulfobetaine prepared by thiol-ene click chemistry for high-efficiency oil/water separation. Journal of Membrane Science, 670:121336.
Wu, Licun; Yoshihara, Kosuke; Yun, Hana; Karim, Saraf; Shokri, Nastaran; Zaeimi, Fatemeh; Man, H S Jeffrey; Zia, Amin; Felley-Bosco, Emanuela; de Perrot, Marc (2023). Prognostic Value of EMT Gene Signature in Malignant Mesothelioma. International Journal of Molecular Sciences, 24(5):4264.
Planta, Dafni; Gerwinn, Tim; Salemi, Souzan; Horst, Maya (2023). Neurogenic Lower Urinary Tract Dysfunction in Spinal Dysraphism: Morphological and Molecular Evidence in Children. International Journal of Molecular Sciences, 24(4):3692.
Kothegala, Lakshmi; Miranda, Caroline; Singh, Meetu; Krieger, Jean-Philippe; Gandasi, Nikhil R (2023). Somatostatin Containing δ-Cell Number Is Reduced in Type-2 Diabetes. International Journal of Molecular Sciences, 24(4):3449.
Belleflamme, Fabian; Hehn, Anna-Sophia; Iannuzzi, Marcella; Hutter, Jürg (2023). A variational formulation of the Harris functional as a correction to approximate Kohn–Sham density functional theory. Journal of Chemical Physics, 158(5):054111.
Mahe, Capucine; Blacque, Olivier; Gasser, Gilles; Gandon, Vincent; Cariou, Kevin (2023). N-Metallocenyl Ynamides: Preparation, Reactivity, and Synthesis of ansa[3]-Ferrocenylamides. Organic Letters, 25(4):624-629.
Vahlensieck, Christian; Thiel, Cora Sandra; Mosimann, Meret; Bradley, Timothy; Caldana, Fabienne; Polzer, Jennifer; Lauber, Beatrice Astrid; Ullrich, Oliver (2023). Transcriptional Response in Human Jurkat T Lymphocytes to a near Physiological Hypergravity Environment and to One Common in Routine Cell Culture Protocols. International Journal of Molecular Sciences, 24(2):1351.
Belleflamme, Fabian; Hutter, Jürg (2023). Radicals in aqueous solution: assessment of density-corrected SCAN functional. Physical Chemistry Chemical Physics (PCCP), 25(31):20817-20836.
Vahlensieck, Christian; Thiel, Cora Sandra; Christoffel, Swantje; Herbst, Sabrina; Polzer, Jennifer; Lauber, Beatrice Astrid; Wolter, Saskia; Layer, Liliana Elisabeth; Hinkelbein, Jochen; Tauber, Svantje; Ullrich, Oliver (2022). Rapid Downregulation of H3K4me3 Binding to Immunoregulatory Genes in Altered Gravity in Primary Human M1 Macrophages. International Journal of Molecular Sciences, 24:603.
Weber, Ronja; Kaeslin, Jérôme; Moeller, Sophia; Perkins, Nathan; Micic, Srdjan; Moeller, Alexander (2022). Effects of a Volatile Organic Compound Filter on Breath Profiles Measured by Secondary Electrospray High-Resolution Mass Spectrometry. Molecules, 28(1):45.
Buholzer, Karin J; McIvor, Jordan; Zosel, Franziska; Teppich, Christian; Nettels, Daniel; Mercadante, Davide; Schuler, Benjamin (2022). Multilayered allosteric modulation of coupled folding and binding by phosphorylation, peptidyl-prolyl cis/trans isomerization, and diversity of interaction partners. Journal of Chemical Physics, 157(23):235102.
Hendrikse, Erica R; Rees, Tayla A; Tasma, Zoe; Garelja, Michael L; Siow, Andrew; Harris, Paul W R; Pawlak, John B; Caron, Kathleen M; Blakeney, Elizabeth S; Russo, Andrew F; Sowers, Levi P; Lutz, Thomas A; Le Foll, Christelle; Walker, Christopher S; Hay, Debbie L (2022). Characterization of Antibodies against Receptor Activity-Modifying Protein 1 (RAMP1): A Cautionary Tale. International Journal of Molecular Sciences, 23(24):16035.
Agnihotri, Nishtha; Mohajeri, M Hasan (2022). Involvement of Intestinal Microbiota in Adult Neurogenesis and the Expression of Brain-Derived Neurotrophic Factor. International Journal of Molecular Sciences, 23(24):15934.
Chighine, Alberto; Corona, Andrea; Catani, Gualtiero; Conte, Celeste; Demontis, Roberto; Nioi, Matteo (2022). A Fatal Case of Metastatic Pulmonary Calcification during the Puerperium. International Journal of Molecular Sciences, 23(23):15131.
Irziqat, Bahaaeddin; Berger, Jan; Cebrat, Aleksandra; Mendieta‐Moreno, Jesús I; Sundar, Mothuku Shyam; Bedekar, Ashutosh V; Ernst, Karl‐Heinz (2022). Conglomerate Aggregation of 7,12,17-Trioxa[11]helicene into Homochiral Two-Dimensional Crystals on the Cu(100) Surface. Helvetica Chimica Acta, 105(12):e202200114.
Al-Wahaibi, Lamya H; Alagappan, Kowsalya; Blacque, Olivier; Mohamed, Ahmed A B; Hassan, Hanan M; Percino, María Judith; El-Emam, Ali A; Thamotharan, Subbiah (2022). X-ray Structures and Computational Studies of Two Bioactive 2-(Adamantane-1-carbonyl)-N-substituted Hydrazine-1-carbothioamides. Molecules, 27(23):8425-8443.
Bazo, Andrea; Lantero, Aquilino; Mauleón, Itsaso; Neri, Leire; Poms, Martin; Häberle, Johannes; Ricobaraza, Ana; Bénichou, Bernard; Combal, Jean-Philippe; Gonzalez-Aseguinolaza, Gloria; Aldabe, Rafael (2022). Gene Therapy in Combination with Nitrogen Scavenger Pretreatment Corrects Biochemical and Behavioral Abnormalities of Infant Citrullinemia Type 1 Mice. International Journal of Molecular Sciences, 23(23):14940.
Bolliger, Robin; Blacque, Olivier; Braband, Henrik; Alberto, Roger (2022). One Electron Changes Everything: Synthesis, Characterization, and Reactivity Studies of [Re(NCCH3)6]3+. Inorganic Chemistry, 61(46):18325-18334.
Schmidt, Felix; Nowak, Nora; Baumgartner, Patrick; Gaisl, Thomas; Malesevic, Stefan; Streckenbach, Bettina; Sievi, Noriane A; Schwarz, Esther I; Zenobi, Renato; Brown, Steven A; Kohler, Malcolm (2022). Severe Obstructive Sleep Apnea Disrupts Vigilance-State-Dependent Metabolism. International Journal of Molecular Sciences, 23(22):14052.
Rausch, Magdalena; Samodelov, Sophia L; Visentin, Michele; Kullak-Ublick, Gerd A (2022). The Farnesoid X Receptor as a Master Regulator of Hepatotoxicity. International Journal of Molecular Sciences, 23(22):13967.
Dean-Ben, Xose Luis; Razansky, Daniel (2022). A practical guide for model-based reconstruction in optoacoustic imaging. Frontiers in Physics, 10:100-115.
Al-Wahaibi, Lamya H; Macías, Mario A; Blacque, Olivier; Zondagh, Luke S; Joubert, Jacques; Thamotharan, Subbiah; Percino, María Judith; Mohamed, Ahmed A B; El-Emam, Ali A (2022). Weak Noncovalent Interactions in Three Closely Related Adamantane-Linked 1,2,4-Triazole N-Mannich Bases: Insights from Energy Frameworks, Hirshfeld Surface Analysis, In Silico 11β-HSD1 Molecular Docking and ADMET Prediction. Molecules, 27(21):7403.
Ivanov, Andranik; Mattei, Daniele; Radscheit, Kathrin; Compagnion, Anne-Claire; Pett, Jan Patrick; Herzel, Hanspeter; Paolicelli, Rosa Chiara; Piwecka, Monika; Meyer, Urs; Beule, Dieter (2022). Analyses of circRNA Expression throughout the Light-Dark Cycle Reveal a Strong Regulation of Cdr1as, Associated with Light Entrainment in the SCN. International Journal of Molecular Sciences, 23(20):12347.
Di Filippo, Michela; Hennig, Paulina; Karakaya, Tugay; Slaufova, Marta; Beer, Hans-Dietmar (2022). NLRP1 in Cutaneous SCCs: An Example of the Complex Roles of Inflammasomes in Cancer Development. International Journal of Molecular Sciences, 23(20):12308.
Dehabadi, Maryam Haji; Caflisch, Amedeo; Ilie, Ioana M; Firouzi, Rohoullah (2022). Interactions of Curcumin's Degradation Products with the Aβ$_{42}$ Dimer: A Computational Study. Journal of Physical Chemistry B, 126(39):7627-7637.
Zhang, Yi; Wang, Yiao; Uslu, Safak; Venkatachalapathy, Sneha; Rashidian, Mohammad; Schaefer, Jonas V; Plückthun, Andreas; Distefano, Mark D (2022). Enzymatic Construction of DARPin-Based Targeted Delivery Systems Using Protein Farnesyltransferase and a Capture and Release Strategy. International Journal of Molecular Sciences, 23(19):11537.
Aboouf, Mostafa A; Armbruster, Julia; Thiersch, Markus; Guscetti, Franco; Kristiansen, Glen; Schraml, Peter; Bicker, Anne; Petry, Ruben; Hankeln, Thomas; Gassmann, Max; Gorr, Thomas A (2022). Pro-Apoptotic and Anti-Invasive Properties Underscore the Tumor-Suppressing Impact of Myoglobin on a Subset of Human Breast Cancer Cells. International Journal of Molecular Sciences, 23(19):11483.
Ruder, Josefine; Dinner, Gianna; Maceski, Aleksandra; Berenjeno-Correa, Ernesto; Müller, Antonia Maria; Jelcic, Ilijas; Kuhle, Jens; Martin, Roland (2022). Dynamics of Inflammatory and Neurodegenerative Biomarkers after Autologous Hematopoietic Stem Cell Transplantation in Multiple Sclerosis. International Journal of Molecular Sciences, 23(18):10946.
Maccio, Umberto; Mihic, Alanna; Lenggenhager, Daniela; Kolm, Isabel; Mittmann, Christiane; Heikenwalder, Mathias; Lorentzen, Anna; Mihic-Probst, Daniela (2022). Hypoxia and Ezrin Expression in Primary Melanoma Have High Prognostic Relevance. International Journal of Molecular Sciences, 23(18):10745.
Mattiat, Johann; Luber, Sandra (2022). Comparison of Length, Velocity, and Symmetric Gauges for the Calculation of Absorption and Electric Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation, 18(9):5513-5526.
Mukiza, Janvier; Braband, Henrik; Bolliger, Robin; Nadeem, Qaisar; Habarurema, Gratien; Sezirahiga, Jurdas; Uwambajineza, Tite; Fox, Thomas; Blacque, Olivier; Alberto, Roger (2022). Complexes of orotic acid and derivatives with the fac-[M(CO)3]+ (M = Re and 99Tc/99mTc) core as radiopharmaceutical probes. Inorganica Chimica Acta, 539:121037.
Ditler, Edward; Luber, Sandra (2022). Vibrational spectroscopy by means of first-principles molecular dynamics simulations. Wiley Interdisciplinary Reviews. Computational Molecular Science, 12(5):e1605.
Frey, Kathrin; Goetze, Sandra; Rohrer, Lucia; von Eckardstein, Arnold; Wollscheid, Bernd (2022). Decoding Functional High-Density Lipoprotein Particle Surfaceome Interactions. International Journal of Molecular Sciences, 23(16):9506.
Betts, Harley D; Ong, Yih Ching; Anghel, Nicoleta; Keller, Sarah; Karges, Johannes; Voutsara, Niovi; Müller, Joachim; Manoury, Eric; Blacque, Olivier; Cariou, Kevin; Hemphill, Andrew; Gasser, Gilles (2022). Organometallic Derivatives of Decoquinate Targeted toward Toxoplasma gondii. Organometallics, 41(15):2035-2041.
Chambel, Sílvia Sousa; Ferreira, Ana; Oliveira, Raquel; Miranda, Rafael; Vale, Luís; Reguenga, Carlos; Schwab, Martin E; Cruz, Célia Duarte (2022). Development of Neurogenic Detrusor Overactivity after Thoracic Spinal Cord Injury Is Accompanied by Time-Dependent Changes in Lumbosacral Expression of Axonal Growth Regulators. International Journal of Molecular Sciences, 23(15):8667.
Zhong, Rujia; Schimanski, Theresa; Zhang, Feng; Lan, Huan; Hohn, Alyssa; Xu, Qiang; Huang, Mengying; Liao, Zhenxing; Qiao, Lin; Yang, Zhen; Li, Yingrui; Zhao, Zhihan; Li, Xin; Rose, Lena; Albers, Sebastian; Maywald, Lasse; Müller, Jonas; Dinkel, Hendrik; Saguner, Ardan; Janssen, Johannes W G; Swamy, Narasimha; Xi, Yannick; Lang, Siegfried; Kleinsorge, Mandy; Duru, Firat; Zhou, Xiaobo; Diecke, Sebastian; Cyganek, Lukas; Akin, Ibrahim; El-Battrawy, Ibrahim (2022). A Preclinical Study on Brugada Syndrome with a CACNB2 Variant Using Human Cardiomyocytes from Induced Pluripotent Stem Cells. International Journal of Molecular Sciences, 23(15):8313.
Marovic, Danijela; Par, Matej; Tauböck, Tobias T; Haugen, Håvard J; Negovetic Mandic, Visnja; Wüthrich, Damian; Burrer, Phoebe; Zheng, Kai; Attin, Thomas; Tarle, Zrinka; Boccaccini, Aldo R (2022). Impact of Copper-Doped Mesoporous Bioactive Glass Nanospheres on the Polymerisation Kinetics and Shrinkage Stress of Dental Resin Composites. International Journal of Molecular Sciences, 23(15):8195.
Lewis, Nicholas H C; Dereka, Bogdan; Zhang, Yong; Maginn, Edward J; Tokmakoff, Andrei (2022). From Networked to Isolated: Observing Water Hydrogen Bonds in Concentrated Electrolytes with Two-Dimensional Infrared Spectroscopy. Journal of Physical Chemistry B, 126(28):5305-5319.
Hehn, Anna-Sophia; Sertcan, Beliz; Belleflamme, Fabian; Chulkov, Sergey K; Watkins, Matthew B; Hutter, Jürg (2022). Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods. Journal of Chemical Theory and Computation, 18(7):4186-4202.
Mališ, Momir; Vandaele, Eva; Luber, Sandra (2022). Spin–Orbit Couplings for Nonadiabatic Molecular Dynamics at the ΔSCF Level. Journal of Chemical Theory and Computation, 18(7):4082-4094.
Kivrak Pfiffner, Fatma; Koller, Samuel; Ménétrey, Anika; Graf, Urs; Bähr, Luzy; Maspoli, Alessandro; Hackenberg, Annette; Kottke, Raimund; Gerth-Kahlert, Christina; Berger, Wolfgang (2022). Homozygosity for a Novel DOCK7 Variant Due to Segmental Uniparental Isodisomy of Chromosome 1 Associated with Early Infantile Epileptic Encephalopathy (EIEE) and Cortical Visual Impairment. International Journal of Molecular Sciences, 23(13):7382.
Rroji, Merita; Figurek, Andreja; Viggiano, Davide; Capasso, Giovambattista; Spasovski, Goce (2022). Phosphate in the Context of Cognitive Impairment and Other Neurological Disorders Occurrence in Chronic Kidney Disease. International Journal of Molecular Sciences, 23(13):7362.
Azzarito, Giovanna; Visentin, Michele; Leeners, Brigitte; Dubey, Raghvendra K (2022). Transcriptomic and Functional Evidence for Differential Effects of MCF-7 Breast Cancer Cell-Secretome on Vascular and Lymphatic Endothelial Cell Growth. International Journal of Molecular Sciences, 23(13):7192.
Kopra, Kari; Valtonen, Salla; Mahran, Randa; Kapp, Jonas N; Hassan, Nazia; Gillette, William; Dennis, Bryce; Li, Lianbo; Westover, Kenneth D; Plückthun, Andreas; Härmä, Harri (2022). Thermal Shift Assay for Small GTPase Stability Screening: Evaluation and Suitability. International Journal of Molecular Sciences, 23(13):7095.
Lehoczky, Gyözö; Trofin, Raluca Elena; Vallmajo‐Martin, Queralt; Chawla, Shikha; Pelttari, Karoliina; Mumme, Marcus; Haug, Martin; Egloff, Christian; Jakob, Marcel; Ehrbar, Martin; Martin, Ivan; Barbero, Andrea (2022). In Vitro and Ectopic In Vivo Studies toward the Utilization of Rapidly Isolated Human Nasal Chondrocytes for Single-Stage Arthroscopic Cartilage Regeneration Therapy. International Journal of Molecular Sciences, 23(13):6900.
Scholkmann, Felix; Tsenkova, Roumiana (2022). Changes in Water Properties in Human Tissue after Double Filtration Plasmapheresis-A Case Study. Molecules, 27(12):3947.
Morsby, Janeala J; Atkinson, Kirk M; Shradha Reddy Kommidi, Sai; Freel, Tristan; Janeková, Hana; Stacko, Peter; Smith, Bradley D (2022). Structure‐Activity Studies of Nitroreductase‐Responsive Near‐Infrared Heptamethine Cyanine Fluorescent Probes. European Journal of Organic Chemistry, 2022(23):e202200270.
Mughal, Farah Perveen; Bergmann, Ann Christina; Huynh, Ha Uyen Buu; Jørgensen, Sarah Hyllekvist; Mansha, Inaam; Kesmez, Meliha; Schürch, Patrick Mark; Theocharides, Alexandre Pierre André; Hansen, Paul Robert; Friis, Tina; Holmström, Morten Orebo; Ciplys, Evaldas; Slibinskas, Rimantas; Højrup, Peter; Houen, Gunnar; Trier, Nicole Hartwig (2022). Production and Characterization of Peptide Antibodies to the C-Terminal of Frameshifted Calreticulin Associated with Myeloproliferative Diseases. International Journal of Molecular Sciences, 23(12):6803.
Bodner, Martin; Amory, Christina; Olivieri, Anna; Gandini, Francesca; Cardinali, Irene; Lancioni, Hovirag; Huber, Gabriela; Xavier, Catarina; Pala, Maria; Fichera, Alessandro; Schnaller, Lisa; Gysi, Mario; Sarno, Stefania; Pettener, Davide; Luiselli, Donata; Richards, Martin B; Semino, Ornella; Achilli, Alessandro; Torroni, Antonio; Parson, Walther (2022). Helena’s Many Daughters: More Mitogenome Diversity behind the Most Common West Eurasian mtDNA Control Region Haplotype in an Extended Italian Population Sample. International Journal of Molecular Sciences, 23(12):6725.
Hafizi, Redona; Imeri, Faik; Stepanovska Tanturovska, Bisera; Manaila, Roxana; Schwalm, Stephanie; Trautmann, Sandra; Wenger, Roland H; Pfeilschifter, Josef; Huwiler, Andrea (2022). Sphk1 and Sphk2 Differentially Regulate Erythropoietin Synthesis in Mouse Renal Interstitial Fibroblast-like Cells. International Journal of Molecular Sciences, 23(11):5882.
Mousavi, Seyyed Jabbar; Berger, Arian; Hamm, Peter; Shalit, Andrey (2022). Low-frequency anharmonic couplings in bromoform revealed from 2D Raman-THz spectroscopy: From the liquid to the crystalline phase. Journal of Chemical Physics, 156(17):174501.
Kumar, Chandan; Luber, Sandra (2022). Robust ΔSCF calculations with direct energy functional minimization methods and STEP for molecules and materials. Journal of Chemical Physics, 156(15):154104.
Paszti, Sarah; Vitale, Alessandra; Liu, Yilei; Braunwalder, Rubina; Kalawong, Ratchara; Biner, Olivier; Pessi, Gabriella; Eberl, Leo (2022). Identification of Key Factors for Anoxic Survival of B. cenocepacia H111. International Journal of Molecular Sciences, 23(9):4560.
Sigel, Astrid; Sigel, Helmut; Sigel, Roland K O (2022). Coordination Chemistry of Nucleotides and Antivirally Active Acyclic Nucleoside Phosphonates, including Mechanistic Considerations. Molecules, 27(9):2625.
Juskeviciene, Reda; Fritz, Ann-Kristina; Brilkova, Margarita; Akbergenov, Rashid; Schmitt, Karen; Rehrauer, Hubert; Laczko, Endre; Isnard-Petit, Patricia; Thiam, Kader; Eckert, Anne; Schacht, Jochen; Wolfer, David P; Böttger, Erik C; Shcherbakov, Dimitri (2022). Phenotype of Mrps5-Associated Phylogenetic Polymorphisms Is Intimately Linked to Mitoribosomal Misreading. International Journal of Molecular Sciences, 23(8):4384.
Ditler, Edward; Zimmermann, Tomáš; Kumar, Chandan; Luber, Sandra (2022). Implementation of Nuclear Velocity Perturbation and Magnetic Field Perturbation Theory in CP2K and Their Application to Vibrational Circular Dichroism. Journal of Chemical Theory and Computation, 18(4):2448-2461.
Vandaele, Eva; Mališ, Momir; Luber, Sandra (2022). The ΔSCF method for non-adiabatic dynamics of systems in the liquid phase. Journal of Chemical Physics, 156(13):130901.
Neis, Nadine; Xie, Feng; Krug, Daniel; Zhao, Haowen; Siebert, Andreas; Binz, Tina Maria; Fu, Chengzhang; Müller, Rolf; Kazmaier, Uli (2022). Stereoselective Syntheses of Deuterated Pipecolic Acids as Tools to Investigate the Stereoselectivity of the Hydroxylase GetF. European Journal of Organic Chemistry, 2022(13):e202200162.
Göbel, Dominik; Míguez‐Lago, Sandra; Ruedas‐Rama, Maria Jose; Orte, Angel; Campaña, Araceli G; Juricek, Michal (2022). Circularly Polarized Luminescence of [6]Helicenes through Excited-State Intramolecular Proton Transfer. Helvetica Chimica Acta, 105(4):e202100221.
Peters, Florian; Ebner, Lynn J A; Atac, David; Maggi, Jordi; Berger, Wolfgang; den Hollander, Anneke I; Grimm, Christian (2022). Regulation of ABCA1 by AMD-Associated Genetic Variants and Hypoxia in iPSC-RPE. International Journal of Molecular Sciences, 23(6):3194.
Lengacher, Raphael; Ott, Sandro; Blacque, Olivier; Braband, Henrik; Alberto, Roger (2022). A Multi-Functional Tool - Cyclopentadienyl Re and 99mTc Complex Synthesis on Highly Functionalised Arenes. Journal of Organometallic Chemistry, 962:122281.
Stein, Alina; Liang, Alexandria Deliz; Sahin, Reyhan; Ward, Thomas R (2022). Incorporation of metal-chelating unnatural amino acids into halotag for allylic deamination. Journal of Organometallic Chemistry, 962:122272.
Müller, Peter; Probst, Benjamin; Spingler, Bernhard; Blacque, Olivier; Alberto, Roger (2022). Polar Substituents Enable Efficient Catalysis for a Class of Cobalt Polypyridyl Hydrogen Evolving Catalysts. Helvetica Chimica Acta, 105(3):e202100237.
Herger, Nick; Bermudez-Lekerika, Paola; Farshad, Mazda; Albers, Christoph E; Distler, Oliver; Gantenbein, Benjamin; Dudli, Stefan (2022). Should Degenerated Intervertebral Discs of Patients with Modic Type 1 Changes Be Treated with Mesenchymal Stem Cells? International Journal of Molecular Sciences, 23(5):2721.
Siebenmann, Lukas; Bolliger, Robin; Braband, Henrik; Blacque, Olivier; Alberto, Roger (2022). Watching Hydrogens Migrate: Step by Step from [ReI(η6-C6H6)2]+ to [ReIII(η3-C6H9)(η6-C6H6)(NCCH3)2]2+. Inorganic Chemistry, 61(8):3683-3689.
Ketkaew, Rangsiman; Creazzo, Fabrizio; Luber, Sandra (2022). Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space. Journal of Physical Chemistry Letters, 13(7):1797-1805.
Blumberg, Markus; Al-Ameed, Karrar; Eiselt, Erik; Luber, Sandra; Mamat, Constantin (2022). Synthesis of Ionizable Calix[4]arenes for Chelation of Selected Divalent Cations. Molecules, 27(5):1478.
Stein, Frederick; Hutter, Jürg (2022). Double-hybrid density functionals for the condensed phase: Gradients, stress tensor, and auxiliary-density matrix method acceleration. Journal of Chemical Physics, 156(7):074107.
Han, Ruocheng; Ketkaew, Rangsiman; Luber, Sandra (2022). A Concise Review on Recent Developments of Machine Learning for the Prediction of Vibrational Spectra. Journal of Physical Chemistry. A, 126(6):801-812.
Gäding, Johannes; Tocci, Gabriele; Busch, Mark; Huber, Patrick; Meißner, Robert H (2022). Impact of confinement and polarizability on dynamics of ionic liquids. Journal of Chemical Physics, 156(6):064703.
Cuomo-Haymour, Nagiua; Bergamini, Giorgio; Russo, Giancarlo; Kulic, Luka; Knuesel, Irene; Martin, Roland; Huss, André; Tumani, Hayrettin; Otto, Markus; Pryce, Christopher R (2022). Differential Expression of Serum Extracellular Vesicle miRNAs in Multiple Sclerosis: Disease-Stage Specificity and Relevance to Pathophysiology. International Journal of Molecular Sciences, 23(3):1664.
Alphandéry, Edouard (2022). Nanomaterials as Ultrasound Theragnostic Tools for Heart Disease Treatment/Diagnosis. International Journal of Molecular Sciences, 23(3):1683.
Atanassov, Hristo; Parrilla, Jonathan; Artault, Caroline; Verbeke, Jérémy; Schneider, Thomas; Grossmann, Jonas; Roschitzki, Bernd; Atanassova, Rossitza (2022). Grape ASR-Silencing Sways Nuclear Proteome, Histone Marks and Interplay of Intrinsically Disordered Proteins. International Journal of Molecular Sciences, 23(3):1537.
Ruiz-Serrano, Amalia; Boyle, Christina N; Monné Rodríguez, Josep M; Günter, Julia; Jucht, Agnieszka E; Pfundstein, Svende; Bapst, Andreas M; Lutz, Thomas A; Wenger, Roland H; Scholz, Carsten C (2022). The Deubiquitinase OTUB1 Is a Key Regulator of Energy Metabolism. International Journal of Molecular Sciences, 23(3):1536.
de Vallière, Cheryl; Cosin-Roger, Jesus; Baebler, Katharina; Schoepflin, Anja; Mamie, Céline; Mollet, Michelle; Schuler, Cordelia; Bengs, Susan; Lang, Silvia; Scharl, Michael; Seuwen, Klaus; Ruiz, Pedro A; Hausmann, Martin; Rogler, Gerhard (2022). pH-Sensing G Protein-Coupled Receptor OGR1 (GPR68) Expression and Activation Increases in Intestinal Inflammation and Fibrosis. International Journal of Molecular Sciences, 23(3):1419.
Khamina, Kseniya; Diendorfer, Andreas B; Skalicky, Susanna; Weigl, Moritz; Pultar, Marianne; Krammer, Teresa L; Fournier, Catharine Aquino; Schofield, Amy L; Otto, Carolin; Smith, Aaron Thomas; Buchtele, Nina; Schoergenhofer, Christian; Jilma, Bernd; Frank, Bernhard J H; Hofstaetter, Jochen G; Grillari, Regina; Grillari, Johannes; Ruprecht, Klemens; Goldring, Christopher E; Rehrauer, Hubert; Glaab, Warren E; Hackl, Matthias (2022). A MicroRNA Next-Generation-Sequencing Discovery Assay (miND) for Genome-Scale Analysis and Absolute Quantitation of Circulating MicroRNA Biomarkers. International Journal of Molecular Sciences, 23(3):1226.
Druszczyńska, Magdalena; Godkowicz, Magdalena; Kulesza, Jakub; Wawrocki, Sebastian; Fol, Marek (2022). Cytokine Receptors-Regulators of Antimycobacterial Immune Response. International Journal of Molecular Sciences, 23(3):1112.
Zizmare, Laimdota; Boyle, Christina N; Buss, Sabrina; Louis, Sandrine; Kuebler, Laura; Mulay, Ketki; Krüger, Ralf; Steinhauer, Lara; Mack, Isabelle; Rodriguez Gomez, Manuel; Herfert, Kristina; Ritze, Yvonne; Trautwein, Christoph (2022). Roux-En-Y Gastric Bypass (RYGB) Surgery during High Liquid Sucrose Diet Leads to Gut Microbiota-Related Systematic Alterations. International Journal of Molecular Sciences, 23(3):1126.
Atac, David; Mohn, Lucas; Feil, Silke; Maggi, Kevin; Haenni, Dominik; Seebauer, Britta; Koller, Samuel; Berger, Wolfgang (2022). Functional Characterization of an In-Frame Deletion in the Basic Domain of the Retinal Transcription Factor ATOH7. International Journal of Molecular Sciences, 23(3):1053.
Cuomo-Haymour, Nagiua; Sigrist, Hannes; Ineichen, Christian; Russo, Giancarlo; Nüesch, Ursina; Gantenbein, Felix; Kulic, Luka; Knuesel, Irene; Bergamini, Giorgio; Pryce, Christopher Robert (2022). Evidence for Effects of Extracellular Vesicles on Physical, Inflammatory, Transcriptome and Reward Behaviour Status in Mice. International Journal of Molecular Sciences, 23(3):1028.
Melani, Giacomo; Guerrero-Felipe, Juan Pablo; Valencia, Ana M; Krumland, Jannis; Cocchi, Caterina; Iannuzzi, Marcella (2022). Donors, acceptors, and a bit of aromatics: electronic interactions of molecular adsorbates on hBN and MoS<sub>2</sub> monolayers. Physical Chemistry Chemical Physics (PCCP), 24(27):16671-16679.
Salehi, Seyedeh Maryam; Käser, Silvan; Töpfer, Kai; Diamantis, Polydefkis; Pfister, Rolf; Hamm, Peter; Rothlisberger, Ursula; Meuwly, Markus (2022). Hydration dynamics and IR spectroscopy of 4-fluorophenol. Physical Chemistry Chemical Physics (PCCP), 24(42):26046-26060.
Kelemen, Anna Klára; Luber, Sandra (2022). On the vibrations of formic acid predicted from first principles. Physical Chemistry Chemical Physics (PCCP), 24(46):28109-28120.
Vandaele, Eva; Mališ, Momir; Luber, Sandra (2022). The photodissociation of solvated cyclopropanone and its hydrate explored via non-adiabatic molecular dynamics using ΔSCF. Physical Chemistry Chemical Physics (PCCP), 24(9):5669-5679.
Hankel, Julia; Mösseler, Anne; Hartung, C B; Rath, Silke; Schulten, Lisa; Visscher, Christian; Kamphues, Josef; Vital, Marius (2022). Responses of Ileal and Fecal Microbiota to Withdrawal of Pancreatic Enzyme Replacement Therapy in a Porcine Model of Exocrine Pancreatic Insufficiency. International Journal of Molecular Sciences, 23(19):11700.
Sauser, Luca; Mohammed, Tagwa A; Kalvoda, Tadeáš; Feng, Sheng-Jan; Spingler, Bernhard; Rulíšek, Lubomír; Shoshan, Michal S (2021). Thiolation and Carboxylation of Glutathione Synergistically Enhance Its Lead-Detoxification Capabilities. Inorganic Chemistry, 60(24):18620-18624.
Tseilikman, Vadim; Komelkova, Maria; Kondashevskaya, Marina V; Manukhina, Eugenia; Downey, H Fred; Chereshnev, Valerii; Chereshneva, Margarita; Platkovskii, Pavel; Goryacheva, Anna; Pashkov, Anton; Fedotova, Julia; Tseilikman, Olga; Maltseva, Natalya; Cherkasova, Olga; Steenblock, Charlotte; Bornstein, Stefan R; Ettrich, Barbara; Chrousos, George P; Ullmann, Enrico (2021). A Rat Model of Post-Traumatic Stress Syndrome Causes Phenotype-Associated Morphological Changes and Hypofunction of the Adrenal Gland. International Journal of Molecular Sciences, 22(24):13235.
Mattiat, Johann; Luber, Sandra (2021). Recent Progress in the Simulation of Chiral Systems with Real Time Propagation Methods. Helvetica Chimica Acta, 104(12):e2100154.
Neuber, Sebastian; Emmert, Maximilian Y; Nazari-Shafti, Timo Z (2021). Hopes and Hurdles of Employing Mesenchymal Stromal Cells in the Treatment of Cardiac Fibrosis. International Journal of Molecular Sciences, 22(23):13000.
Meier-Schiesser, Barbara; Mellett, Mark; Ramirez-Fort, Marigdalia K; Maul, Julia-Tatjana; Klug, Annika; Winkelbeiner, Nicola; Fenini, Gabriele; Schafer, Peter; Contassot, Emmanuel; French, Lars E (2021). Phosphodiesterase-4 Inhibition Reduces Cutaneous Inflammation and IL-1β Expression in a Psoriasiform Mouse Model but Does Not Inhibit Inflammasome Activation. International Journal of Molecular Sciences, 22(23):12878.
Marconi, Guya Diletta; Porcheri, Cristina; Trubiani, Oriana; Mitsiadis, Thimios A (2021). Three-Dimensional Culture Systems for Dissecting Notch Signalling in Health and Disease. International Journal of Molecular Sciences, 22(22):12473.
De Collibus, Francesco Maria; Partida, Alberto; Piškorec, Matija; Tessone, Claudio (2021). Heterogeneous Preferential Attachment in Key Ethereum-Based Cryptoassets. Frontiers in Physics, 9:720708.
Storti, Gabriele; Favi, Evaldo; Albanesi, Francesca; Kim, Bong-Sung; Cervelli, Valerio (2021). Adipose-Derived Stem/Stromal Cells in Kidney Transplantation: Status Quo and Future Perspectives. International Journal of Molecular Sciences, 22(20):11188.
Yang, Yong; Huangfu, Shangxiong; Sato, Sota; Juricek, Michal (2021). Cycloparaphenylene Double Nanohoop: Structure, Lamellar Packing, and Encapsulation of C60 in the Solid State. Organic Letters, 23(20):7943-7948.
Elstner, Matthias; Olszewski, Konrad; Prokisch, Holger; Klopstock, Thomas; Murgia, Marta (2021). Multi-Omics Approach to Mitochondrial DNA Damage in Human Muscle Fibers. International Journal of Molecular Sciences, 22(20):11080.
Klemmer, Viviane Anna; Khera, Nupur; Siegenthaler, Barbara M; Bhattacharya, Indranil; Weber, Franz E; Ghayor, Chafik (2021). Effect of N-Vinyl-2-Pyrrolidone (NVP), a Bromodomain-Binding Small Chemical, on Osteoblast and Osteoclast Differentiation and Its Potential Application for Bone Regeneration. International Journal of Molecular Sciences, 22(20):11052.
Pauletti, Michela; Rybkin, Vladimir V; Iannuzzi, Marcella (2021). Subsystem Density Functional Theory Augmented by a Delta Learning Approach to Achieve Kohn–Sham Accuracy. Journal of Chemical Theory and Computation, 17(10):6423-6431.
Zalcman, Nomi; Gutreiman, Mijal; Shahar, Tal; Weller, Michael; Lavon, Iris (2021). Androgen Receptor Activation in Glioblastoma Can Be Achieved by Ligand-Independent Signaling through EGFR-A Potential Therapeutic Target. International Journal of Molecular Sciences, 22(20):10954.
Schreder, Lukas; Luber, Sandra (2021). Local approaches for electric dipole moments in periodic systems and their application to real-time time-dependent density functional theory. Journal of Chemical Physics, 155(13):134116.
Lagies, Simon; Pichler, Roman; Vladimirov, Georg; Gawron, Jana; Bäzner, Fabian; Schreiner, Annabell; Kadena, Dajana; Plattner, Dietmar A; Lienkamp, Soeren Sten; Kammerer, Bernd (2021). Metabolic and Lipidomic Assessment of Kidney Cells Exposed to Nephrotoxic Vancomycin Dosages. International Journal of Molecular Sciences, 22(18):10111.
Działo, Edyta; Czepiel, Marcin; Tkacz, Karolina; Siedlar, Maciej; Kania, Gabriela; Błyszczuk, Przemysław (2021). WNT/β-Catenin Signaling Promotes TGF-β-Mediated Activation of Human Cardiac Fibroblasts by Enhancing IL-11 Production. International Journal of Molecular Sciences, 22(18):10072.
Reinholdt, Peter; Vidal, Marta L; Kongsted, Jacob; Iannuzzi, Marcella; Coriani, Sonia; Odelius, Michael (2021). Nitrogen K-Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods. Journal of Physical Chemistry Letters, 12(36):8865-8871.
Abd Alla, Joshua; Jamous, Yahya F; Quitterer, Ursula (2021). Stearoyl-CoA Desaturase (SCD) Induces Cardiac Dysfunction with Cardiac Lipid Overload and Angiotensin II AT1 Receptor Protein Up-Regulation. International Journal of Molecular Sciences, 22(18):9883.
Toklo, Placide M; Yayi Ladekan, Eléonore; Linden, Anthony; Hounzangbe-Adote, Sylvie; Kouam, Siméon F; Gbenou, Joachim D (2021). Anthelmintic flavonoids and other compounds from Combretum glutinosum Perr. ex DC (Combretaceae) leaves. Acta Crystallographica. Section C: Structural Chemistry, 77(9):505-512.
Hafizi, Redona; Imeri, Faik; Wenger, Roland H; Huwiler, Andrea (2021). S1P Stimulates Erythropoietin Production in Mouse Renal Interstitial Fibroblasts by S1P1 and S1P3 Receptor Activation and HIF-2α Stabilization. International Journal of Molecular Sciences, 22(17):9467.
Vahlensieck, Christian; Thiel, Cora Sandra; Zhang, Ye; Huge, Andreas; Ullrich, Oliver (2021). Gravitational Force-Induced 3D Chromosomal Conformational Changes Are Associated with Rapid Transcriptional Response in Human T Cells. International Journal of Molecular Sciences, 22(17):9426.
Hoff, Lukas V; Schnell, Simon D; Tomio, Andrea; Linden, Anthony; Gademann, Karl (2021). Cross-Coupling Reactions of Monosubstituted Tetrazines. Organic Letters, 23(15):5689-5692.
Vahlensieck, Christian; Thiel, Cora S; Adelmann, Jan; Lauber, Beatrice A; Polzer, Jennifer; Ullrich, Oliver (2021). Rapid Transient Transcriptional Adaptation to Hypergravity in Jurkat T Cells Revealed by Comparative Analysis of Microarray and RNA-Seq Data. International Journal of Molecular Sciences, 22(16):8451.
Braband, Henrik; Benz, Michael; Spingler, Bernhard; Conradie, Jeanet; Alberto, Roger; Ghosh, Abhik (2021). Relativity as a Synthesis Design Principle: A Comparative Study of [3 + 2] Cycloaddition of Technetium(VII) and Rhenium(VII) Trioxo Complexes with Olefins. Inorganic Chemistry, 60(15):11090-11097.
Brenig, Christopher; Mosberger, Leila; Baumann, Katja; Blacque, Olivier; Zelder, Felix (2021). Redox-Neutral Syntheses and Electrochemical Studies of 10-Bromo-Substituted Light-Stable Antivitamin B12 Candidates. Helvetica Chimica Acta, 104:e21000.
Liu, Le; Nevado, Cristina (2021). Diaryl Ether Formation Merging Photoredox and Nickel Catalysis. Organometallics, 40(14):2188-2193.
Spekowius, Jasmin; Pfister, Rolf; Helbing, Jan (2021). Folding and Unfolding of the Tryptophan Zipper in the Presence of Two Thioamide Substitutions. Journal of Physical Chemistry B, 125(28):7662-7670.
Bussy, Augustin; Hutter, Jürg (2021). First-principles correction scheme for linear-response time-dependent density functional theory calculations of core electronic states. Journal of Chemical Physics, 155(3):034108.
Rybkin, Vladimir V (2021). Formulation and Implementation of Density Functional Embedding Theory Using Products of Basis Functions. Journal of Chemical Theory and Computation, 17(7):3995-4005.
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Schneider, Lukas; Kalt, Martina; Larocca, Michele; Babu, Vipin; Spingler, Bernhard (2021). Potent PBS/Polysorbate-Soluble Transplatin-Derived Porphyrin-Based Photosensitizers for Photodynamic Therapy. Inorganic Chemistry, 60(13):9416-9426.
Fischer, Jan Alexander; Palechor, Andres; Dell’Aglio, Daniele; Bernstein, Abraham; Tessone, Claudio J (2021). The Complex Community Structure of the Bitcoin Address Correspondence Network. Frontiers in Physics, 9:681798.
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Wäckerlin, Christian; Ernst, Karl-Heinz (2021). Autocatalytic Surface Explosion Chemistry of 2D Metal–Organic Frameworks. Journal of Physical Chemistry C, 125(24):13343-13349.
Benke, Stephan; Holla, Andrea; Wunderlich, Bengt; Soranno, Andrea; Nettels, Daniel; Schuler, Benjamin (2021). Combining Rapid Microfluidic Mixing and Three-Color Single-Molecule FRET for Probing the Kinetics of Protein Conformational Changes. Journal of Physical Chemistry B, 125(24):6617-6628.
Thiel, Cora S; Vahlensieck, Christian; Bradley, Timothy; Tauber, Svantje; Lehmann, Martin; Ullrich, Oliver (2021). Metabolic Dynamics in Short- and Long-Term Microgravity in Human Primary Macrophages. International Journal of Molecular Sciences, 22(13):6752.
Kuret, Tadeja; Lakota, Katja; Čučnik, Saša; Jurčič, Vesna; Distler, Oliver; Rotar, Žiga; Hočevar, Alojzija; Sodin-Šemrl, Snežna; Frank-Bertoncelj, Mojca (2021). Dysregulated Expression of Arterial MicroRNAs and Their Target Gene Networks in Temporal Arteries of Treatment-Naïve Patients with Giant Cell Arteritis. International Journal of Molecular Sciences, 22(12):6520.
Han, Ruocheng; Luber, Sandra (2021). Fast Estimation of Møller–Plesset Correlation Energies Based on Atomic Contributions. Journal of Physical Chemistry Letters, 12(22):5324-5331.
Jankovic, Brankica; Ruf, Jeannette; Zanobini, Claudio; Bozovic, Olga; Buhrke, David; Hamm, Peter (2021). Sequence of Events during Peptide Unbinding from RNase S: A Complete Experimental Description. Journal of Physical Chemistry Letters, 12(21):5201-5207.
Palau, Vanesa; Nugraha, Bramasta; Benito, David; Pascual, Julio; Emmert, Maximilian Y; Hoerstrup, Simon P; Riera, Marta; Soler, Maria José (2021). Both Specific Endothelial and Proximal Tubular Adam17 Deletion Protect against Diabetic Nephropathy. International Journal of Molecular Sciences, 22(11):5520.
Lidón, Laia; Llaó-Hierro, Laura; Nuvolone, Mario; Aguzzi, Adriano; Ávila, Jesús; Ferrer, Isidro; del Río, José Antonio; Gavín, Rosalina (2021). Tau Exon 10 Inclusion by PrPC through Downregulating GSK3β Activity. International Journal of Molecular Sciences, 22(10):5370.
Vidal, Alessio; Calligaro, Rudy; Gasser, Gilles; Alberto, Roger; Balducci, Gabriele; Alessio, Enzo (2021). cis-Locked Ru(II)-DMSO Precursors for the Microwave-Assisted Synthesis of Bis-Heteroleptic Polypyridyl Compounds. Inorganic Chemistry, 60(10):7180-7195.
Ghafouri-Fard, Soudeh; Badrlou, Elham; Taheri, Mohammad; Dürsteler, Kenneth M; Brühl, Annette Beatrix; Sadeghi-Bahmani, Dena; Brand, Serge (2021). A Comprehensive Review on the Role of Non-Coding RNAs in the Pathophysiology of Bipolar Disorder. International Journal of Molecular Sciences, 22(10):5156.
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Božović, Olga; Ruf, Jeannette; Zanobini, Claudio; Jankovic, Brankica; Buhrke, David; Johnson, Philip J M; Hamm, Peter (2021). The Speed of Allosteric Signaling Within a Single-Domain Protein. Journal of Physical Chemistry Letters, 12(17):4262-4267.
Besmer, Manuel Luca; Braband, Henrik; Schneider, Sven; Spingler, Bernhard; Alberto, Roger (2021). Exploring the Coordination Chemistry of N2 with Technetium PNP Pincer-Type Complexes. Inorganic Chemistry, 60(9):6696-6701.
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Werren, Joel P; Troxler, Lukas J; Oyewole, Oluwaseun Rume-Abiola; Ramette, Alban; Brugger, Silvio D; Bruggmann, Rémy; van der Linden, Mark; Nahm, Moon H; Gjuroski, Ilche; Casanova, Carlo; Furrer, Julien; Hilty, Markus (2021). Carbon Source-Dependent Changes of the Structure of Streptococcus pneumoniae Capsular Polysaccharide with Serotype 6F. International Journal of Molecular Sciences, 22(9):4580.
Seyffert, Michael; Georgi, Fanny; Tobler, Kurt; Bourqui, Laurent; Anfossi, Michela; Michaelsen, Kevin; Vogt, Bernd; Greber, Urs F; Fraefel, Cornel (2021). The HSV-1 Transcription Factor ICP4 Confers Liquid-Like Properties to Viral Replication Compartments. International Journal of Molecular Sciences, 22(9):4447.
Cumming, Paul; Scheidegger, Milan; Dornbierer, Dario; Palner, Mikael; Quednow, Boris B; Martin-Soelch, Chantal (2021). Molecular and Functional Imaging Studies of Psychedelic Drug Action in Animals and Humans. Molecules, 26(9):2451.
Kamińska, Agnieszka; Romano, Giovanni Luca; Rejdak, Robert; Zweifel, Sandrine; Fiedorowicz, Michal; Rejdak, Magdalena; Bajka, Anahita; Amato, Rosario; Bucolo, Claudio; Avitabile, Teresio; Drago, Filippo; Toro, Mario Damiano (2021). Influence of Trace Elements on Neurodegenerative Diseases of The Eye-The Glaucoma Model. International Journal of Molecular Sciences, 22(9):4323.
Schmid, Florian A; Koudy Williams, J; Kessler, Thomas M; Stenzl, Arnulf; Aicher, Wilhelm K; Andersson, Karl-Erik; Eberli, Daniel (2021). Treatment of Stress Urinary Incontinence with Muscle Stem Cells and Stem Cell Components: Chances, Challenges and Future Prospects. International Journal of Molecular Sciences, 22(8):3981.
Liberini, Virginia; Laudicella, Riccardo; Capozza, Martina; Huellner, Martin W; Burger, Irene A; Baldari, Sergio; Terreno, Enzo; Deandreis, Désirée (2021). The Future of Cancer Diagnosis, Treatment and Surveillance: A Systemic Review on Immunotherapy and Immuno-PET Radiotracers. Molecules, 26(8):2201.
Nascakova, Zuzana; Boleslavska, Barbora; Urban, Vaclav; Oravetzova, Anna; Vlachova, Edita; Janscak, Pavel; Dobrovolna, Jana (2021). RAD51 Inhibition Induces R-Loop Formation in Early G1 Phase of the Cell Cycle. International Journal of Molecular Sciences, 22(7):3740.
Schnell, Simon D; Schilling, Mauro; Sklyaruk, Jan; Linden, Anthony; Luber, Sandra; Gademann, Karl (2021). Nucleophilic Attack on Nitrogen in Tetrazines by Silyl-Enol Ethers. Organic Letters, 23(7):2426-2430.
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Yusifov, Elkhan; Dumoulin, Alexandre; Stoeckli, Esther T (2021). Investigating Primary Cilia during Peripheral Nervous System Formation. International Journal of Molecular Sciences, 22(6):3176.
Desiderio, Francesca; Bourras, Salim; Mazzucotelli, Elisabetta; Rubiales, Diego; Keller, Beat; Cattivelli, Luigi; Valè, Giampiero (2021). Characterization of the resistance to powdery mildew and leaf rust carried by the bread wheat cultivar Victo. International Journal of Molecular Sciences, 22(6):3109.
Pagella, Pierfrancesco; Nombela-Arrieta, César; Mitsiadis, Thimios A (2021). Distinct Expression Patterns of Cxcl12 in Mesenchymal Stem Cell Niches of Intact and Injured Rodent Teeth. International Journal of Molecular Sciences, 22(6):3024.
Hamm, Peter (2021). Transient 2D IR spectroscopy from micro- to milliseconds. Journal of Chemical Physics, 154(10):104201.
Bikov, Andras; Meszaros, Martina; Schwarz, Esther Irene (2021). Coagulation and Fibrinolysis in Obstructive Sleep Apnoea. International Journal of Molecular Sciences, 22(6):2834.
Mališ, Momir; Luber, Sandra (2021). ΔSCF with Subsystem Density Embedding for Efficient Nonadiabatic Molecular Dynamics in Condensed-Phase Systems. Journal of Chemical Theory and Computation, 17(3):1653-1661.
Waltenspühl, Yann; Ehrenmann, Janosch; Klenk, Christoph; Plückthun, Andreas (2021). Engineering of Challenging G Protein-Coupled Receptors for Structure Determination and Biophysical Studies. Molecules, 26(5):1465.
Baumann, Noah; Lan, Jinggang; Iannuzzi, Marcella (2021). CO2 adsorption on the pristine and reduced CeO2 (111) surface: Geometries and vibrational spectra by first principles simulations. Journal of Chemical Physics, 154(9):094702.
Klingler, Simon; Holland, Jason P (2021). Computational studies on the Carboni-Lindsey reaction. Computational and Theoretical Chemistry, 1197:113161.
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Tek, Gökçen; Hamm, Peter (2021). Transient CO desorption from thin Pt films induced by mid-IR pumping. Journal of Chemical Physics, 154(8):084706.
Capoor, Manu N; Konieczna, Anna; McDowell, Andrew; Ruzicka, Filip; Smrcka, Martin; Jancalek, Radim; Maca, Karel; Lujc, Michael; Ahmed, Fahad S; Birkenmaier, Christof; Dudli, Stefan; Slaby, Ondrej (2021). Pro-Inflammatory and Neurotrophic Factor Responses of Cells Derived from Degenerative Human Intervertebral Discs to the Opportunistic Pathogen Cutibacterium acnes. International Journal of Molecular Sciences, 22(5):2347.
Seidenberg, Jemima; Stellato, Mara; Hukara, Amela; Ludewig, Burkhard; Klingel, Karin; Distler, Oliver; Błyszczuk, Przemysław; Kania, Gabriela (2021). The AP-1 Transcription Factor Fosl-2 Regulates Autophagy in Cardiac Fibroblasts during Myocardial Fibrogenesis. International Journal of Molecular Sciences, 22(4):1861.
Han, Ruocheng; Rodríguez-Mayorga, Mauricio; Luber, Sandra (2021). A Machine Learning Approach for MP2 Correlation Energies and Its Application to Organic Compounds. Journal of Chemical Theory and Computation, 17(2):777-790.
Li, Yaozong; Bedi, Rajiv Kumar; Wiedmer, Lars; Sun, Xianqiang; Huang, Danzhi; Caflisch, Amedeo (2021). Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. Journal of Chemical Theory and Computation, 17(2):1240-1249.
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Earley, Daniel F; Guillou, Amaury; van der Born, Dion; Poot, Alex J; Holland, Jason P (2021). Microfluidic Preparation of 89Zr-Radiolabelled Proteins by Flow Photochemistry. Molecules, 26(3):764.
Mukiza, Janvier; Braband, Henrik; Bolliger, Robin; Blacque, Olivier; Alberto, Roger; Nkurunziza, Jean Baptiste (2021). A novel benzoylthiourea derivative with a triazinethione moiety: Synthesis and coordination with the organometallic fac-[Re(CO)3]+ core. Inorganica Chimica Acta, 516:120116.
Fernández-Terán, Ricardo J; Sévery, Laurent (2021). Coordination Environment Prevents Access to Intraligand Charge-Transfer States through Remote Substitution in Rhenium(I) Terpyridinedicarbonyl Complexes. Inorganic Chemistry, 60(3):1325-1333.
Karges, Johannes; Xiong, Kai; Blacque, Olivier; Chao, Hui; Gasser, Gilles (2021). Highly cytotoxic copper(II) terpyridine complexes as anticancer drug candidates. Inorganica Chimica Acta, 516:120137.
Fernandez-Teran, Ricardo; Sévery, Laurent (2021). Living Long and Prosperous: Productive Intraligand Charge-Transfer States from a Rhenium(I) Terpyridine Photosensitizer with Enhanced Light Absorption. Inorganic Chemistry, 60(3):1334-1343.
Karnaukhova, Elena; Owczarek, Catherine; Schmidt, Peter; Schaer, Dominik J; Buehler, Paul W (2021). Human Plasma and Recombinant Hemopexins: Heme Binding Revisited. International Journal of Molecular Sciences, 22(3):1199.
Ahlfeld, Tilman; Lode, Anja; Richter, Richard Frank; Pradel, Winnie; Franke, Adrian; Rauner, Martina; Stadlinger, Bernd; Lauer, Günter; Gelinsky, Michael; Korn, Paula (2021). Toward Biofabrication of Resorbable Implants Consisting of a Calcium Phosphate Cement and Fibrin-A Characterization In Vitro and In Vivo. International Journal of Molecular Sciences, 22(3):1218.
Shalit, Andrey; Mousavi, Seyyed Jabbar; Hamm, Peter (2021). 2D Raman–THz Spectroscopy of Binary CHBr3–MeOH Solvent Mixture. Journal of Physical Chemistry B, 125(2):581-586.
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Almiñana, Carmen; Rudolf Vegas, Alba; Tekin, Muhittin; Hassan, Mubbashar; Uzbekov, Rustem; Fröhlich, Thomas; Bollwein, Heiner; Bauersachs, Stefan (2021). Isolation and characterization of equine uterine extracellular vesicles: a comparative methodological study. International Journal of Molecular Sciences, 22(2):979.
Conde, Javier; Schwarzfischer, Marlene; Katkeviciute, Egle; Häfliger, Janine; Niechcial, Anna; Brillant, Nathalie; Manzini, Roberto; Bäbler, Katharina; Atrott, Kirstin; Lang, Silvia; Scharl, Michael (2021). Titanium Dioxide Presents a Different Profile in Dextran Sodium Sulphate-Induced Experimental Colitis in Mice Lacking the IBD Risk Gene Ptpn2 in Myeloid Cells. International Journal of Molecular Sciences, 22(2):772.
Mattiat, Johann; Luber, Sandra (2021). Time Domain Simulation of (Resonance) Raman Spectra of Liquids in the Short Time Approximation. Journal of Chemical Theory and Computation, 17(1):344-356.
Kutus, Bence; Shalit, Andrey; Hamm, Peter; Hunger, Johannes (2021). Dielectric response of light, heavy and heavy-oxygen water: isotope effects on the hydrogen-bonding network's collective relaxation dynamics. Physical Chemistry Chemical Physics (PCCP), 23(9):5467-5473.
Bussy, Augustin; Hutter, Jürg (2021). Efficient and low-scaling linear-response time-dependent density functional theory implementation for core-level spectroscopy of large and periodic systems. Physical Chemistry Chemical Physics (PCCP), 23(8):4736-4746.
Guda, Alexander; Windisch, Johannes; Probst, Benjamin; van Bokhoven, Jeroen A; Alberto, Roger; Nachtegaal, Maarten; Chen, Lin X; Smolentsev, Grigory (2021). Excited-state structure of copper phenanthroline-based photosensitizers. Physical Chemistry Chemical Physics (PCCP), 23(47):26729-26736.
Oppelt, Kerstin T; Sevéry, Laurent; Utters, Mirjam; Tilley, S David; Hamm, Peter (2021). Flexible to rigid: IR spectroscopic investigation of a rhenium-tricarbonyl-complex at a buried interface. Physical Chemistry Chemical Physics (PCCP), 23(7):4311-4316.
Ruf, Jeannette; Hamm, Peter; Buhrke, David (2021). Needles in a haystack: H-bonding in an optogenetic protein observed with isotope labeling and 2D-IR spectroscopy. Physical Chemistry Chemical Physics (PCCP), 23(17):10267-10273.
Buhrke, David (2021). The impact of chromophore choice on the assembly kinetics and primary photochemistry of a red/green cyanobacteriochrome. Physical Chemistry Chemical Physics (PCCP), 23(37):20867-20874.
Saikia, Eashan; Läubli, Nino F; Burri, Jan T; Rüggeberg, Markus; Schlepütz, Christian M; Vogler, Hannes; Burgert, Ingo; Herrmann, Hans J; Nelson, Bradley J; Grossniklaus, Ueli; Wittel, Falk K (2020). Kinematics governing mechanotransduction in the sensory hair of the Venus flytrap. International Journal of Molecular Sciences, 22:280.
Buhrke, David; Oppelt, Kerstin T; Heckmeier, Philipp J; Fernandez-Teran, Ricardo; Hamm, Peter (2020). Nanosecond protein dynamics in a red/green cyanobacteriochrome revealed by transient IR spectroscopy. Journal of Chemical Physics, 153(24):245101.
Bischoff, Nicolaj S; de Kok, Theo M; Sijm, Dick T H M; van Breda, Simone G; Briedé, Jacco J; Castenmiller, Jacqueline J M; Opperhuizen, Antoon; Chirino, Yolanda I; Dirven, Hubert; Gott, David; Houdeau, Eric; Oomen, Agnes G; Poulsen, Morten; Rogler, Gerhard; van Loveren, Henk (2020). Possible Adverse Effects of Food Additive E171 (Titanium Dioxide) Related to Particle Specific Human Toxicity, Including the Immune System. International Journal of Molecular Sciences, 22:207.
Estrada Brull, Anna; Rost, Felix; Oderbolz, Josua; Kirchner, Florian R; Leibundgut-Landmann, Salomé; Oxenius, Annette; Joller, Nicole (2020). CD85k Contributes to Regulatory T Cell Function in Chronic Viral Infections. International Journal of Molecular Sciences, 22(1):31.
Kandaswamy, Dinesh Kumar; Prakash, Makarla Venkata Sathya; Graw, Jochen; Koller, Samuel; Magyar, István; Tiwari, Amit; Berger, Wolfgang; Santhiya, Sathiyaveedu Thyagarajan (2020). Application of WES Towards Molecular Investigation of Congenital Cataracts: Identification of Novel Alleles and Genes in a Hospital-Based Cohort of South India. International Journal of Molecular Sciences, 21(24):9569.
Gurdal, Yeliz; Iannuzzi, Marcella (2020). Comparison of penta and tetra‐pyridyl cobalt‐based catalysts for water reduction: H 2 production cycle, solvent response and reduction free energy. ChemPhysChem, 21(24):2692-2700.
Linden, Anthony; Magirius, J E Florian; Heimgartner, Heinz (2020). Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid. Acta Crystallographica. Section C: Structural Chemistry, C76:1-9.
Vallarano, Nicoló; Tessone, Claudio; Squartini, Tiziano (2020). Bitcoin Transaction Networks: An Overview of Recent Results. Frontiers in Physics, 8:286.
Perinelli, Monica; Tegoni, Matteo; Freisinger, Eva (2020). Different Behavior of the Histidine Residue toward Cadmium and Zinc in a Cadmium-Specific Metallothionein from an Aquatic Fungus. Inorganic Chemistry, 59(23):16988-16997.
Bolliger, Robin; Meola, Giuseppe; Braband, Henrik; Blacque, Olivier; Siebenmann, Lukas; Nadeem, Qaisar; Alberto, Roger (2020). Fully Solvated, Monomeric ReII Complexes: Insights into the Chemistry of [Re(NCCH3)6]2+. Inorganic Chemistry, 59(23):17600-17607.
Rybkin, Vladimir V (2020). Mechanism of Aqueous Carbon Dioxide Reduction by the Solvated Electron. Journal of Physical Chemistry B, 124(46):10435-10441.
Stein, Frederick; Hutter, Jürg; Rybkin, Vladimir V (2020). Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and Evaluation. Molecules, 25(21):5174.
Mattei, Daniele; Ivanov, Andranik; van Oostrum, Marc; Pantelyushin, Stanislav; Richetto, Juliet; Mueller, Flavia; Beffinger, Michal; Schellhammer, Linda; vom Berg, Johannes; Wollscheid, Bernd; Beule, Dieter; Paolicelli, Rosa Chiara; Meyer, Urs (2020). Enzymatic Dissociation Induces Transcriptional and Proteotype Bias in Brain Cell Populations. International Journal of Molecular Sciences, 21(21):7944.
Samodelov, Sophia L; Kullak-Ublick, Gerd A; Gai, Zhibo; Visentin, Michele (2020). Organic Cation Transporters in Human Physiology, Pharmacology, and Toxicology. International Journal of Molecular Sciences, 21(21):7890.
Fernández-Terán, Ricardo; Hamm, Peter (2020). A closer look into the distance dependence of vibrational energy transfer on surfaces using 2D IR spectroscopy. Journal of Chemical Physics, 153(15):154706.
Han, Ruocheng; Luber, Sandra (2020). Trajectory-based machine learning method and its application to molecular dynamics. Molecular Physics, 118(19-20):e1788189.
Cocina, Francesco; Vitalis, Andreas; Caflisch, Amedeo (2020). Sapphire-based clustering. Journal of Chemical Theory and Computation, 16(10):6383-6396.
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Latypova, Larisa; Barshtein, Gregory; Puzenko, Alexander; Poluektov, Yuri; Anashkina, Anastasia; Petrushanko, Irina; Fenk, Simone; Bogdanova, Anna; Feldman, Yuri (2020). Oxygenation state of hemoglobin defines dynamics of water molecules in its vicinity. Journal of Chemical Physics, 153(13):135101.
Hernández‐Valdés, Daniel; Fernández-Terán, Ricardo; Probst, Benjamin; Spingler, Bernhard; Alberto, Roger (2020). CO2 to CO: Photo‐ and electrocatalytic conversion based on Re(I) Bis‐Arene Frameworks: synergisms between catalytic subunits. Helvetica Chimica Acta, 103(10):e2000147.
Liberale, Luca; Bertolotto, Maria; Minetti, Silvia; Contini, Paola; Verzola, Daniela; Ameri, Pietro; Ghigliotti, Giorgio; Pende, Aldo; Camici, Giovanni G; Carbone, Federico; Montecucco, Fabrizio (2020). Recombinant Tissue Plasminogen Activator (r-tPA) Induces In-Vitro Human Neutrophil Migration via Low Density Lipoprotein Receptor-Related Protein 1 (LRP-1). International Journal of Molecular Sciences, 21:19.
Skalska, Aleksandra; Stritt, Christoph; Wyler, Michele; Williams, Hefin W; Vickers, Martin; Han, Jiwan; Tuna, Metin; Savas Tuna, Gulsemin; Susek, Karolina; Swain, Martin; Wóycicki, Rafał K; Chaudhary, Saurabh; Corke, Fiona; Doonan, John H; Roulin, Anne C; Hasterok, Robert; Mur, Luis A J (2020). Genetic and methylome variation in Turkish Brachypodium distachyon accessions differentiate two geographically distinct subpopulations. International Journal of Molecular Sciences, 21(18):6700.
Wuertz-Kozak, Karin; Roszkowski, Martin; Cambria, Elena; Block, Andrea; Kuhn, Gisela A; Abele, Thea; Hitzl, Wolfgang; Drießlein, David; Müller, Ralph; Rapp, Michael A; Mansuy, Isabelle M; Peters, Eva M J; Wippert, Pia M (2020). Effects of Early Life Stress on Bone Homeostasis in Mice and Humans. International Journal of Molecular Sciences, 21(18):6634.
Ilazi, Agron; Huang, Bin; de Almeida Campos, Valery; Gademann, Karl (2020). Synthesis of Colibactin Pyrrolidono[3,4-d]pyridones via Regioselective C(sp3)–H Activation. Organic Letters, 22(17):6858-6862.
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Opitz, Isabelle; Kirschner, Michaela B (2019). Molecular Research in Chronic Thromboembolic Pulmonary Hypertension. International Journal of Molecular Sciences, 20(3):E784.
Ohno, Koichi; Satoh, Hiroko; Iwamoto, Takeaki (2019). Quantum chemical exploration of dimeric forms of polycyclic aromatic hydrocarbons, naphthalene, perylene, and coronene. Chemical Physics Letters, 716:147-154.
Payvand, Melika; Nair, Manu V; Müller, Lorenz K; Indiveri, Giacomo (2019). A neuromorphic systems approach to in-memory computing with non-ideal memristive devices: from mitigation to exploitation. Faraday Discussions, 213:487-510.
Hamm, Peter; Sidler, David (2019). Feynman Diagram Description of 2D-Raman-THz Spectroscopy Applied to Water. Journal of Chemical Physics, 150(4):044202.
Mlostoń, Grzegorz; Celeda, Malgorzata; Jasinski, Radomir; Heimgartner, Heinz (2019). Experimental and Computational Studies on Stepwise [3+2]-Cycloadditions of Diaryldiazomethanes with Electron-Deficient Dimethyl (E)- and (Z)-2,3-Dicyanobutenedioates. European Journal of Organic Chemistry, 2019(2-3):422-431.
Ciullo, Alessandra; Biemmi, Vanessa; Milano, Giuseppina; Bolis, Sara; Cervio, Elisabetta; Fertig, Emanuel Tudor; Gherghiceanu, Mihaela; Moccetti, Tiziano; Camici, Giovanni G; Vassalli, Giuseppe; Barile, Lucio (2019). Exosomal Expression of CXCR4 Targets Cardioprotective Vesicles to Myocardial Infarction and Improves Outcome after Systemic Administration. International Journal of Molecular Sciences, 20(3):E468.
Furrer, Lenz; Jancso, Anna; Colic, Nicola; Rinaldi, Fabio (2019). OGER++: hybrid multi-type entity recognition. Journal of Cheminformatics, 11(1):7.
Vogel, Johannes; Thiel, Cora Sandra; Tauber, Svantje; Stockmann, Christian; Gassmann, Max; Ullrich, Oliver (2019). Expression of Hypoxia-Inducible Factor 1α (HIF-1α) and genes of related pathways in altered gravity. International Journal of Molecular Sciences, 20(2):E436.
Lukovic, Dominika; Gugerell, Alfred; Zlabinger, Katrin; Winkler, Johannes; Pavo, Noemi; Baranyai, Tamás; Giricz, Zoltán; Varga, Zoltán V; Riesenhuber, Martin; Spannbauer, Andreas; Traxler, Denise; Jakab, András; Garamvölgyi, Rita; Petnehazy, Örs; Pils, Dietmar; Tóth, Levente; Schulz, Rainer; Ferdinandy, Péter; Gyöngyösi, Mariann (2019). Transcriptional Alterations by Ischaemic Postconditioning in a Pig Infarction Model: Impact on Microvascular Protection. International Journal of Molecular Sciences, 20(2):344.
Staub, Ruben; Iannuzzi, Marcella; Khaliullin, Rustam Z; Steinmann, Stephan N (2019). Energy Decomposition Analysis for Metal Surface–Adsorbate Interactions by Block Localized Wave Functions. Journal of Chemical Theory and Computation, 15(1):265-275.
Gao, Tian; Díaz-Hirashi, Zyanya; Verdeguer, Francisco (2018). Metabolic signaling into chromatin modifications in the regulation of gene expression. International Journal of Molecular Sciences, 19(12):4108.
Schuler, Benjamin; Szabo, Attila; Wolynes, Peter G (2018). Tribute to William A. Eaton. Journal of Physical Chemistry B, 122(49):10971-10973.
Zhang, Yuanbin; Sun, Yuji; Wang, Tao; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon (2018). Synthesis and Structural Characterization of Amidine, Amide, Urea and Isocyanate Derivatives of the Amino-closo-dodecaborate Anion [B12H11NH3]−. Molecules, 23(12):3137.
Felley-Bosco, Emanuela (2018). Special Issue on Mechanisms of Mesothelioma Heterogeneity: Highlights and Open Questions. International Journal of Molecular Sciences, 19(11):E3560-E3560.
Kwiatkowski, Grzegorz; Polyhach, Yevhen; Jähnig, Fabian; Shiroka, Toni; Starsich, Fabian H L; Ernst, Matthias; Kozerke, Sebastian (2018). Exploiting Endogenous Surface Defects for Dynamic Nuclear Polarization of Silicon Micro- and Nanoparticles. Journal of Physical Chemistry C, 122(44):25668-25680.
Mattiat, Johann; Luber, Sandra (2018). Efficient calculation of (resonance) Raman spectra and excitation profiles with real-time propagation. Journal of Chemical Physics, 149(17):174108.
Esposito, Carmen; Vitalis, Andreas (2018). Precise estimation of transfer free energies for ionic species between similar media. Physical Chemistry Chemical Physics (PCCP), 20(42):27003-27010.
Lan, Jinggang; Hutter, Jürg; Iannuzzi, Marcella (2018). First-Principles Simulations of an Aqueous CO/Pt(111) Interface. Journal of Physical Chemistry C, 122(42):24068-24076.
Siegenthaler, Barbara; Ghayor, Chafik; Gjoksi-Cosandey, Bebeka; Ruangsawasdi, Nisarat; Weber, Franz E (2018). The Bromodomain Inhibitor N-Methyl pyrrolidone Prevents Osteoporosis and BMP-Triggered Sclerostin Expression in Osteocytes. International Journal of Molecular Sciences, 19(11):3332.
Zanobini, Claudio; Bozovic, Olga; Jankovic, Brankica; Koziol, Klemens L; Johnson, Philip J M; Hamm, Peter; Gulzar, Adnan; Wolf, Steffen; Stock, Gerhard (2018). Azidohomoalanine: A Minimally Invasive, Versatile, and Sensitive Infrared Label in Proteins To Study Ligand Binding. Journal of Physical Chemistry B, 122(44):10118-10125.
Grotz, Kara K; Nueesch, Mark F; Holmstrom, Erik D; Heinz, Marcel; Stelzl, Lukas S; Schuler, Benjamin; Hummer, Gerhard (2018). Dispersion Correction Alleviates Dye Stacking of Single-Stranded DNA and RNA in Simulations of Single-Molecule Fluorescence Experiments. Journal of Physical Chemistry B, 122:11626-11639.
Zheng, Wenwei; Hofmann, Hagen; Schuler, Benjamin; Best, Robert B (2018). Origin of Internal Friction in Disordered Proteins Depends on Solvent Quality. Journal of Physical Chemistry B, 122:11478-11487.
Tauber, Svantje; Christoffel, Swantje; Thiel, Cora Sandra; Ullrich, Oliver (2018). Transcriptional Homeostasis of Oxidative Stress-Related Pathways in Altered Gravity. International Journal of Molecular Sciences, 19(9):2814.
Dingfelder, Fabian; Benke, Stephan; Nettels, Daniel; Schuler, Benjamin (2018). Mapping an Equilibrium Folding Intermediate of the Cytolytic Pore Toxin ClyA with Single-Molecule FRET. Journal of Physical Chemistry B, 122:11251-11261.
Golze, Dorothea; Wilhelm, Jan; van Setten, Michiel J; Rinke, Patrick (2018). Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis. Journal of Chemical Theory and Computation, 14(9):4856-4869.
Hernández-Valdés, Daniel; Meola, Giuseppe; Braband, Henrik; Spingler, Bernhard; Alberto, Roger (2018). Direct Synthesis of Non-Alkyl Functionalized Bis-Arene Complexes of Rhenium and 99(m)Technetium. Organometallics, 37(17):2910-2916.
Hehlgans, Stephanie; Booms, Patrick; Güllülü, Ömer; Sader, Robert; Rödel, Claus; Balermpas, Panagiotis; Rödel, Franz; Ghanaati, Shahram (2018). Radiation Sensitization of Basal Cell and Head and Neck Squamous Cell Carcinoma by the Hedgehog Pathway Inhibitor Vismodegib. International Journal of Molecular Sciences, 19(9):2485.
Silva, Caio C; Iannuzzi, Marcella; Duncan, David A; Ryan, Paul T P; Clarke, Katherine T; Küchle, Johannes T; Cai, Jiaqi; Jolie, Wouter; Schlueter, Christoph; Lee, Tien-Lin; Busse, Carsten (2018). Valleys and Hills of Graphene on Ru(0001). Journal of Physical Chemistry C, 122(32):18554-18561.
Ilie, Ioana M; Caflisch, Amedeo (2018). Disorder at the Tips of a Disease-Relevant Aβ42 Amyloid Fibril: A Molecular Dynamics Study. Journal of Physical Chemistry B, 122:11072-11082.
Suter, Dominik; van Summeren, Luuk T C G; Blacque, Olivier; Venkatesan, Koushik (2018). Highly Stable and Strongly Emitting N-Heterocyclic Carbene Platinum(II) Biaryl Complexes. Inorganic Chemistry, 57(14):8160-8168.
Schuler, Benjamin (2018). Perspective: Chain dynamics of unfolded and intrinsically disordered proteins from nanosecond fluorescence correlation spectroscopy combined with single-molecule FRET. Journal of Chemical Physics, 149(1):010901.
Stania, R; Seitsonen, A P; Kunhardt, D; Büchner, B; Popov, A A; Muntwiler, M; Greber, T (2018). Electrostatic Interaction across a Single-Layer Carbon Shell. Journal of Physical Chemistry Letters, 9(13):3586-3590.
Stolze, Karoline; Kong, Tai; von Rohr, Fabian O; Cava, Robert J (2018). Crystal structure and anisotropic magnetic properties of CaCo4(TeO3)4Cl2. Journal of Solid State Chemistry, 263:141-147.
Sidler, David; Meuwly, Markus; Hamm, Peter (2018). An efficient water force field calibrated against intermolecular THz and Raman spectra. Journal of Chemical Physics, 148(24):244504.
Ahmed, Saima; Pasti, Andrea; Fernández-Terán, Ricardo J; Ciardi, Gustavo; Shalit, Andrey; Hamm, Peter (2018). Aqueous solvation from the water perspective. Journal of Chemical Physics, 148(23):234505.
Busch, Michael; Fabrizio, Alberto; Luber, Sandra; Hutter, Jürg; Corminboeuf, Clemence (2018). Exploring the Limitation of Molecular Water Oxidation Catalysts. Journal of Physical Chemistry C, 122(23):12404-12412.
Wellig, Sebastian; Hamm, Peter (2018). Solvation Layer of Antifreeze Proteins Analyzed with a Markov State Model. Journal of Physical Chemistry B, 122(49):11014-11022.
Bachmeier, Beatrice E; Killian, Peter H; Melchart, Dieter (2018). The role of curcumin in prevention and management of metastatic disease. International Journal of Molecular Sciences, 19(6):1716.
Collier, Thomas L; Dahl, Kenneth; Stephenson, Nickeisha A; Holland, Jason P; Riley, Adam; Liang, Steven H; Vasdev, Neil (2018). Recent applications of a single quadrupole mass spectrometer in 11C, 18F and radiometal chemistry. Journal of Fluorine Chemistry, 210:46-55.
Mlostoń, Grzegorz; Hamera-Faldyga, Roza; Celeda, Malgorzata; Heimgartner, Heinz (2018). Efficient synthesis of ferrocifens and other ferrocenyl-substituted ethylenes via a ‘sulfur approach’. Organic & Biomolecular Chemistry, 16(23):4350-4356.
Oehl, Kathrin; Vrugt, Bart; Opitz, Isabelle; Meerang, Mayura (2018). Heterogeneity in Malignant Pleural Mesothelioma. International Journal of Molecular Sciences, 19(6):E1603.
Aebersold, Mathias J; Dermutz, Harald; Demkó, László; Cogollo, José F Saenz; Lin, Shiang-Chi; Burchert, Conrad; Schneider, Moritz; Ling, Doris; Forró, Csaba; Han, Hana; Zambelli, Tomaso; Vörös, János (2018). Local Chemical Stimulation of Neurons with the Fluidic Force Microscope (FluidFM). ChemPhysChem, 19(10):1234-1244.
Véron, Anna C; Linden, Anthony; Leclaire, Nicolas A; Roedern, Elsa; Hu, Shunbo; Ren, Wei; Rentsch, Daniel; Nüesch, Frank A (2018). One-Dimensional Organic–Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations. Journal of Physical Chemistry Letters, 9(9):2438-2442.
Felley-Bosco, Emanuela; Rehrauer, Hubert (2018). Non-Coding Transcript Heterogeneity in Mesothelioma: Insights from Asbestos-Exposed Mice. International Journal of Molecular Sciences, 19(4):1163.
Aristizabal Prada, Elke Tatjana; Castellano, Isabella; Sušnik, Eva; Yang, Yuhong; Meyer, Lucie S; Tetti, Martina; Beuschlein, Felix; Reincke, Martin; Williams, Tracy A (2018). Comparative Genomics and Transcriptome Profiling in Primary Aldosteronism. International Journal of Molecular Sciences, 19(4):1124.
Lardi, Martina; Liu, Yilei; Giudice, Gaetano; Ahrens, Christian H; Zamboni, Nicola; Pessi, Gabriella (2018). Metabolomics and Transcriptomics Identify Multiple Downstream Targets of Paraburkholderia phymatum σ54 During Symbiosis with Phaseolus vulgaris. International Journal of Molecular Sciences, 19(4):1049.
Obijalska, Emilia; Pawelec, Maria; Mlostoń, Grzegorz; Capperucci, Antonella; Tanini, Damiano; Heimgartner, Heinz (2018). A Remarkable Influence of a Trifluoromethyl Group on the Reactions of β‐Mercaptoalcohols with Fluorinated α‐Bromoenones. European Journal of Organic Chemistry, 2018(27-28):3716-3723.
Makarov, Dmitrii E; Schuler, Benjamin (2018). Preface: Special Topic on Single-Molecule Biophysics. Journal of Chemical Physics, 148(12):123001.
Wicki, Simone; Gurzeler, Ursina; Corazza, Nadia; Genitsch, Vera; Wong, Wendy Wei-Lynn; Kaufmann, Thomas (2018). Loss of BID Delays FASL-Induced Cell Death of Mouse Neutrophils and Aggravates DSS-Induced Weight Loss. International Journal of Molecular Sciences, 19(3):684.
Paleček, David; Tek, Gökçen; Lan, Jinggang; Iannuzzi, Marcella; Hamm, Peter (2018). Characterization of the Platinum–Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy. Journal of Physical Chemistry Letters, (9):1254-1259.
Hennig, Paulina; Garstkiewicz, Martha; Grossi, Serena; Di Filippo, Michela; French, Lars E; Beer, Hans-Dietmar (2018). The Crosstalk between Nrf2 and Inflammasomes. International Journal of Molecular Sciences, 19(2):562.
Joliat-Wick, Evelyne; Weder, Nicola; Klose, Daniel; Bachmann, Cyril; Spingler, Bernhard; Probst, Benjamin; Alberto, Roger (2018). Light-Induced H2 Evolution with a Macrocyclic Cobalt Diketo-Pyrphyrin as a Proton-Reducing Catalyst. Inorganic Chemistry, 57(3):1651-1655.
Wilhelm, Jan; Golze, Dorothea; Talirz, Leopold; Hutter, Jürg; Pignedoli, Carlo A (2018). Toward GW Calculations on Thousands of Atoms. Journal of Physical Chemistry Letters, 9(2):306-312.
Kraack, Jan Philip; Hamm, Peter (2018). Solvent-Controlled Morphology of Catalytic Monolayers at Solid–Liquid Interfaces. Journal of Physical Chemistry C, 122(4):2259-2267.
Luber, Sandra (2018). Localized molecular orbitals for calculation and analysis of vibrational Raman optical activity. Physical Chemistry Chemical Physics (PCCP), 20(45):28751-28758.
Weinmann, Christian; Holland, Jason P; Läppchen, Tilman; Scherer, Harald; Maus, Stephan; Stemler, Tobias; Bohnenberger, Hendrik; Ezziddin, Samer; Kurz, Philipp; Bartholomä, Mark D (2018). Optimized synthesis and indium complex formation with the bifunctional chelator NODIA-Me. Organic & Biomolecular Chemistry, 16(40):7503-7512.
Gallo, Sofia; Sigel, Roland K O (2018). Covalent and non-covalent binding of platinated vitamin B 12 -derivatives to a B 12 responsive riboswitch. Inorganica Chimica Acta, 472:214-220.
Mahmoudi, Leila; Zelder, Felix; Kissner, Reinhard (2018). Determination of the formal redox potentials of the cyanhaemoglobin/cyanmethaemoglobin and the myoglobin/metmyoglobin couples at neutral pH. Bioelectrochemistry, 120:83-86.
Steinmann, Stephan N; Ferreira De Morais, Rodrigo; Götz, Andreas W; Fleurat-Lessard, Paul; Iannuzzi, Marcella; Sautet, Philippe; Michel, Carine (2018). Force Field for Water over Pt(111): Development, Assessment, and Comparison. Journal of Chemical Theory and Computation, 14(6):3238-3251.
Zheng, Wenwei; Zerze, Gül H; Borgia, Alessandro; Mittal, Jeetain; Schuler, Benjamin; Best, Robert B (2018). Inferring properties of disordered chains from FRET transfer efficiencies. Journal of Chemical Physics, 148(12):123329.
Mondal, Arobendo; Gaultois, Michael W; Pell, Andrew J; Iannuzzi, Marcella; Grey, Clare P; Hutter, Jürg; Kaupp, Martin (2018). Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K. Journal of Chemical Theory and Computation, 14(1):377-394.
Mokolokolo, Pennie P; Frei, Angelo; Tsosane, Mampotso S; Kama, Dumisani V; Schutte-Smith, Marietjie; Brink, Alice; Visser, Hendrik G; Meola, Giuseppe; Alberto, Roger; Roodt, Andreas (2018). Nuclearity manipulation in Schiff-base fac -tricarbonyl complexes of Mn(I) and Re(I). Inorganica Chimica Acta, 471:249-256.
Hadzic, Mélodie C A S; Börner, Richard; König, Sebastian L B; Kowerko, Danny; Sigel, Roland K O (2018). Reliable State Identification and State Transition Detection in Fluorescence Intensity-Based Single-Molecule Förster Resonance Energy-Transfer Data. Journal of Physical Chemistry B, 122(23):6134-6147.
Michalakis, Stylianos; Becirovic, Elvir; Biel, Martin (2018). Retinal Cyclic Nucleotide-Gated Channels: From Pathophysiology to Therapy. International Journal of Molecular Sciences, 19(3):749.
Reinartz, Ines; Sinner, Claude; Nettels, Daniel; Stucki-Buchli, Brigitte; Stockmar, Florian; Panek, Pawel T; Jacob, Christoph R; Nienhaus, Gerd Ulrich; Schuler, Benjamin; Schug, Alexander (2018). Simulation of FRET dyes allows quantitative comparison against experimental data. Journal of Chemical Physics, 148(12):123321.
Ruggeri, Francesca; Krishnan, Madhavi (2018). Spectrally resolved single-molecule electrometry. Journal of Chemical Physics, 148(12):123307.
Ilazi, Agron; Liffert, Raphael; Gademann, Karl (2018). Total Synthesis of the Polyoxygenated Sesquiterpenes Guignarderemophilanes C and D. Helvetica Chimica Acta, (101):e1800011.
Kraack, Jan Philip; Sévery, Laurent; Tilley, S David; Hamm, Peter (2017). Plasmonic Substrates Do Not Promote Vibrational Energy Transfer at Solid–Liquid Interfaces. Journal of Physical Chemistry Letters, 9(1):49-56.
Stucki-Buchli, Brigitte; Johnson, Philip J M; Bozovic, Olga; Zanobini, Claudio; Koziol, Klemens L; Hamm, Peter; Gulzar, Adnan; Wolf, Steffen; Buchenberg, Sebastian; Stock, Gerhard (2017). 2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 Domain. Journal of Physical Chemistry. A, 121(49):9435-9445.
El Amki, Mohamad; Wegener, Susanne (2017). Improving cerebral blood flow after arterial recanalization: a novel therapeutic strategy in stroke. International Journal of Molecular Sciences, 18(12):2669.
Bacci, Marco; Langini, Cassiano; Vymětal, Jiří; Caflisch, Amedeo; Vitalis, Andreas (2017). Focused conformational sampling in proteins. Journal of Chemical Physics, 147(19):195102.
Poliani, Emanuele; Wagner, Markus R; Vierck, Asmus; Herziger, Felix; Nenstiel, Christian; Gannott, Florentina; Schweiger, Manuel; Fritze, Stephanie; Dadgar, Armin; Zaumseil, Jana; Krost, Alois; Hoffmann, Axel; Maultzsch, Janina (2017). Breakdown of far-field raman selection rules by light-plasmon coupling demonstrated by tip-enhanced raman scattering. Journal of Physical Chemistry Letters, 8(22):5462-5471.
Zosel, Franziska; Haenni, Dominik; Soranno, Andrea; Nettels, Daniel; Schuler, Benjamin (2017). Combining short- and long-range fluorescence reporters with simulations to explore the intramolecular dynamics of an intrinsically disordered protein. Journal of Chemical Physics, 147(15):152708.
Tran, Halina; Cunha, Ana V; Shephard, Jacob J; Shalit, Andrey; Hamm, Peter; Jansen, Thomas L C; Salzmann, Christoph G (2017). 2D IR spectroscopy of high-pressure phases of ice. Journal of Chemical Physics, 147(14):144501.
Bacci, Marco; Vymětal, Jiří; Mihajlovic, Maja; Caflisch, Amedeo; Vitalis, Andreas (2017). Amyloid β Fibril Elongation by Monomers Involves Disorder at the Tip. Journal of Chemical Theory and Computation, 13(10):5117-5130.
Generali, Melanie; Kehl, Debora; Capulli, Andrew K; Parker, Kevin K; Hoerstrup, Simon P; Weber, Benedikt (2017). Comparative analysis of poly-glycolic acid-based hybrid polymer starter matrices for in vitro tissue engineering. Colloids and Surfaces. B, Biointerfaces, 158:203-212.
Nørgaard, Maibritt; Haldrup, Christa; Storebjerg, Tine Maj; Vestergaard, Else Marie; Wild, Peter J; Høyer, Søren; Borre, Michael; Ørntoft, Torben Falck; Sørensen, Karina Dalsgaard (2017). Comprehensive Evaluation of TFF3 Promoter Hypomethylation and Molecular Biomarker Potential for Prostate Cancer Diagnosis and Prognosis. International Journal of Molecular Sciences, 18(9):1-17.
Mlostoń, Grzegorz; Capperucci, Antonella; Tanini, Damiano; Hamera-Faldyga, Roza; Heimgartner, Heinz (2017). Dialkyl dicyanofumarates as oxidizing reagents for the conversion of thiols into disulfides and selenols into diselenides. European Journal of Organic Chemistry, 2017(46):6831-6839.
Hamm, Peter; Fanourgakis, George S; Xantheas, Sotiris S (2017). A surprisingly simple correlation between the classical and quantum structural networks in liquid water. Journal of Chemical Physics, 147(6):064506.
Scherer, Manuel; Gademann, Karl (2017). Total synthesis and structural revision of aeruginosin KT608A. Organic Letters, 19(14):3915-3918.
Berger, Arian; Savolainen, Janne; Shalit, Andrey; Hamm, Peter (2017). Note: Deep UV-pump THz-probe spectroscopy of the excess electron in water. Journal of Chemical Physics, 146(24):246101.
Hodel, Florian H; Deglmann, Peter; Luber, Sandra (2017). Exploring Solvation Effects in Ligand-Exchange Reactions via Static and Dynamic Methods. Journal of Chemical Theory and Computation, 13(7):3348-3358.
Schulz, Nadine; Chaachouay, Hassan; Nytko, Katarzyna J; Weyland, Mathias S; Roos, Malgorzata; Füchslin, Rudolf M; Guscetti, Franco; Scheidegger, Stephan; Rohrer Bley, Carla (2017). Dynamic In Vivo profiling of DNA damage and repair after radiotherapy using canine patients as a model. International Journal of Molecular Sciences, 18(6):E1176.
Gurdal, Yeliz; Hutter, Jürg; Iannuzzi, Marcella (2017). Insight into (Co)Pyrphyrin Adsorption on Au(111): Effects of Herringbone Reconstruction and Dynamics of Metalation. Journal of Physical Chemistry C, 121(21):11416-11427.
Meola, Giuseppe; Braband, Henrik; Hernández-Valdés, Daniel; Gotzmann, Carla; Fox, Thomas; Spingler, Bernhard; Alberto, Roger (2017). A Mixed-Ring Sandwich Complex from Unexpected Ring Contraction in [Re($η^6$-C$_6$H$_5$Br)($η^6$-C$_6$R$_6$)](PF$_6$). Inorganic Chemistry, 56(11):6297-6301.
Vašák, Milan; Meloni, Gabriele (2017). Mammalian metallothionein-3: new functional and structural insights. International Journal of Molecular Sciences, 18(6):1117.
Kraack, Jan Philip; Frei, Angelo; Alberto, Roger; Hamm, Peter (2017). Ultrafast Vibrational Energy Transfer in Catalytic Monolayers at Solid–Liquid Interfaces. Journal of Physical Chemistry Letters, 8(11):2489-2495.
Johnson, Philip J M; Koziol, Klemens L; Hamm, Peter (2017). Quantifying Biomolecular Recognition with Site-Specific 2D Infrared Probes. Journal of Physical Chemistry Letters, 8(10):2280-2284.
Villars, Fabienne O; Pietra, Claudio; Giuliano, Claudio; Lutz, Thomas A; Riediger, Thomas (2017). Oral Treatment with the Ghrelin Receptor Agonist HM01 Attenuates Cachexia in Mice Bearing Colon-26 (C26) Tumors. International Journal of Molecular Sciences, 18(5):1-18.
Krishnan, Madhavi (2017). A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution. Journal of Chemical Physics, 146(20):205101.
Mlostoń, Grzegorz; Kowalski, Marcin K; Obijalska, Emilia; Heimgartner, Heinz (2017). Efficient synthesis of fluoroalkylated 1,4,2-oxathiazoles via regioselective [3 + 2]-cycloaddition of fluorinated nitrile oxides with thioketones. Journal of Fluorine Chemistry, 199:92-96.
Hamm, Peter; Shalit, Andrey (2017). Perspective: Echoes in 2D-Raman-THz spectroscopy. Journal of Chemical Physics, 146(13):130901.
Hodel, Florian H; Luber, Sandra (2017). Dehydrogenation free energy of Co$^{2+}$(aq) from density functional theory-based molecular dynamics. Journal of Chemical Theory and Computation, 13(3):974-981.
Luber, Sandra (2017). Raman optical activity spectra from density functional perturbation theory and density-functional-theory-based molecular dynamics. Journal of Chemical Theory and Computation, 13(3):1254-1262.
Wehlauch, Robin; Grendelmeier, Simone M; Miyatake-Ondozabal, Hideki; Sandtorv, Alexander H; Scherer, Manuel; Gademann, Karl (2017). Investigating biogenetic hypotheses of the securinega alkaloids: enantioselective total syntheses of secu’amamine E/ent-virosine A and bubbialine. Organic Letters, 19(3):548-551.
Ojeda, José; Arrell, Christopher A; Longetti, Luca; Chergui, Majed; Helbing, Jan (2017). Charge-transfer and impulsive electronic-to-vibrational energy conversion in ferricyanide: ultrafast photoelectron and transient infrared studies. Physical Chemistry Chemical Physics (PCCP), 19(26):17052-17062.
Jähnig, Fabian; Kwiatkowski, Grzegorz; Däpp, Alexander; Hunkeler, Andreas; Meier, Beat H; Kozerke, Sebastian; Ernst, Matthias (2017). Dissolution DNP using trityl radicals at 7 T field. Physical Chemistry Chemical Physics (PCCP), 19(29):19196-19204.
Eckert, Sebastian; Niskanen, Johannes; Jay, Raphael M; Miedema, Piter S; Fondell, Mattis; Kennedy, Brian; Quevedo, Wilson; Iannuzzi, Marcella; Föhlisch, Alexander (2017). Valence orbitals and local bond dynamics around N atoms of histidine under X-ray irradiation. Physical Chemistry Chemical Physics (PCCP), 19(47):32091-32098.
Garayalde, David; Rusconi, Giulia; Nevado, Cristina (2017). A gold- and brønsted acid catalytic interplay towards the synthesis of highly substituted tetrahydrocarbazoles. Helvetica Chimica Acta, 100(3):e1600333.
Linden, Anthony (2017). Acta Crystallographica Section C is making an impact. Acta Crystallographica. Section C: Structural Chemistry, 73(1):1.
Ettlin, Julia; Clementi, Elena; Amini, Parisa; Malbon, Alexandra; Markkanen, Enni (2017). Analysis of gene expression signatures in cancer-associated stroma from canine mammary tumours reveals molecular homology to human breast carcinomas. International Journal of Molecular Sciences, 18(6):E1101.
Palacios, Oscar; Jimenez-Marti, Elena; Niederwanger, Michael; Gil-Moreno, Selene; Zerbe, Oliver; Atrian, Silvia; Dallinger, Reinhard; Capdevila, Merce (2017). Analysis of metal-binding features of the wild type and two domain-truncated mutant variants of littorina littorea metallothionein reveals its Cd-specific character. International Journal of Molecular Sciences, 18:1452.
Linden, Anthony (2017). Best practice and pitfalls in absolute structure determination. Tetrahedron: Asymmetry, 28(10):1314-1320.
Niederwanger, Michael; Calatayud, Sara; Zerbe, Oliver; Atrian, Silvia; Albalat, Ricard; Capdevila, Merce; Palacios, Oscar; Dallinger, Reinhard (2017). Biomphalaria glabrata metallothionein: lacking metal specificity of the protein and missing gene upregulation suggest metal sequestration by exchange instead of through selective binding. International Journal of Molecular Sciences, 18:1457.
Schertel, L; Aubry, G J; Aegerter, C M; Maret, G (2017). Coherent multiple light scattering in Faraday active materials. European Physical Journal. Special Topics, 226(7):1409-1421.
Ravat, Prince; Hinkelmann, Rahel; Steinebrunner, David; Prescimone, Alessandro; Bodoky, Ina; Juríček, Michal (2017). Configurational Stability of [5]Helicenes. Organic Letters, 19(14):3707-3710.
Golze, Dorothea; Benedikter, Niels; Iannuzzi, Marcella; Wilhelm, Jan; Hutter, Jürg (2017). Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals. Journal of Chemical Physics, 146(3):034105.
Rybkin, Vladimir V (2017). Franck–Condon theory of quantum mechanochemistry. Journal of Physical Chemistry. A, 121(30):5758-5762.
Schmidtke, Alexander; Läppchen, Tilman; Weinmann, Christian; Bier-Schorr, Lorenz; Keller, Manfred; Kiefer, Yvonne; Holland, Jason P; Bartholomä, Mark D (2017). Gallium Complexation, Stability, and Bioconjugation of 1,4,7-Triazacyclononane Derived Chelators with Azaheterocyclic Arms. Inorganic Chemistry, 56(15):9097-9110.
Otlyotov, Arseniy A; Lamm, Jan-Hendrik; Blomeyer, Sebastian; Mitzel, Norbert W; Rybkin, Vladimir V; Zhabanov, Yuriy A; Tverdova, Natalya V; Giricheva, Nina I; Girichev, Georgiy V (2017). Gas-phase structure of 1,8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions. Physical Chemistry Chemical Physics (PCCP), 19(20):13093-13100.
Kowalski, Marcin K; Obijalska, Emilia; Mlostoń, Grzegorz; Heimgartner, Heinz (2017). Generation and reactions of thiocarbonyl S-(2,2,2-trifluoroethanides). Synthesis of trifluoromethylated 1,3-dithiolanes, thiiranes and alkenes. Journal of Fluorine Chemistry, 200:102-108.
Saddiqi, Naeem-ul-Hasan; Patra, Debabrata; Seeger, Stefan (2017). Hydroxyapatite biomineralization on functionalized silicone nanofilaments. Colloid and Interface Science Communications, 16:1-5.
Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg (2017). Local Fitting of the Kohn–Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations. Journal of Chemical Theory and Computation, 13(5):2202-2214.
Galib, Mirza; Duignan, Timothy T; Misteli, Yannick; Baer, Marcel D; Schenter, Gregory K; Hutter, Jürg; Mundy, Christopher J (2017). Mass density fluctuations in quantum and classical descriptions of liquid water. Journal of Chemical Physics, 146(24):244501.
Sosso, Gabriele Cesare; Caravati, Sebastiano; Rotskoff, Grant; Vaikuntanathan, Suriyanarayanan; Hassanali, Ali A (2017). On the role of non-spherical cavities in short length-scale density fluctuations in water. Journal of Physical Chemistry. A, 121(1):370-380.
Li, Jingyi; Wäckerlin, Christian; Schnidrig, Stephan; Joliat, Evelyne; Alberto, Roger; Ernst, Karl-Heinz (2017). On-Surface Metalation and 2D Self-Assembly of Pyrphyrin Molecules Into Metal-Coordinated Networks on Cu(111). Helvetica Chimica Acta, 100(1):e1600278.
Mayati, Abdullah; Moreau, Amélie; Le Vée, Marc; Stieger, Bruno; Denizot, Claire; Parmentier, Yannick; Fardel, Olivier (2017). Protein Kinases C-Mediated Regulations of Drug Transporter Activity, Localization and Expression. International Journal of Molecular Sciences, 18(4):764.
Esipova, Tatiana V; Rivera-Jacquez, Héctor J; Weber, Bruno; Masunov, Artëm E; Vinogradov, Sergei A (2017). Stabilizing g-States in Centrosymmetric Tetrapyrroles: Two-Photon-Absorbing Porphyrins with Bright Phosphorescence. Journal of Physical Chemistry. A, 121(33):6243-6255.
von Allmen, Kim D; Grundmann, Henrik; Linden, Anthony; Patzke, Greta R (2017). Synthesis and characterization of 0D–3D copper-containing tungstobismuthates obtained from the lacunary precursor Na$_9$[B-$\alpha$-BiW$_9$O$_{33}$]. Inorganic Chemistry, 56(1):327-335.
Meier, Anita; Suter, Mark; Schraner, Elisabeth; Humbel, Bruno; Tobler, Kurt; Ackermann, Mathias; Laimbacher, Andrea (2017). Transfer of anti-rotavirus antibodies during pregnancy and in milk following maternal vaccination with a herpes simplex virus type-1 amplicon vector. International Journal of Molecular Sciences, 18(2):E431.
Kokot, Gašper; Bespalova, Maria I; Krishnan, Madhavi (2016). Measured electrical charge of SiO2 in polar and nonpolar media. Journal of Chemical Physics, 145(19):194701.
Manogaran, Praveena; Hanson, James V M; Olbert, Elisabeth D; Egger, Christine; Wicki, Carla; Gerth-Kahlert, Christina; Landau, Klara; Schippling, Sven (2016). Optical Coherence Tomography and Magnetic Resonance Imaging in Multiple Sclerosis and Neuromyelitis Optica Spectrum Disorder. International Journal of Molecular Sciences, 17(11):1-13.
Sidler, Dominik; Schwaninger, Arthur; Riniker, Sereina (2016). Replica exchange enveloping distribution sampling (RE-EDS): A robust method to estimate multiple free-energy differences from a single simulation. Journal of Chemical Physics, 145(15):154114.
Childs, Bradley C; Braband, Henrik; Lawler, Keith; Mast, Daniel S; Bigler, Laurent; Stalder, Urs; Forster, Paul M; Czerwinski, Kenneth R; Alberto, Roger; Sattelberger, Alfred P; Poineau, Frederic (2016). Ditechnetium heptoxide revisited: solid-state, gas-phase, and theoretical studies. Inorganic Chemistry, 55(20):10445-10452.
Meola, Giuseppe; Braband, Henrik; Schmutz, Paul; Benz, Michael; Spingler, Bernhard; Alberto, Roger (2016). Bis-Arene Complexes [Re($η^6$-arene)$_2$]$^+$ as Highly Stable Bioorganometallic Scaffolds. Inorganic Chemistry, 55(21):11131-11139.
Prieto, Lucas; Neuburger, Markus; Spingler, Bernhard; Zelder, Felix (2016). Inorganic cyanide as protecting group in the stereospecific reconstitution of vitamin B12 from an artificial green secocorrinoid. Organic Letters, 18(20):5292-5295.
Hamm, Peter (2016). Markov state model of the two-state behaviour of water. Journal of Chemical Physics, 145(13):134501.
Mlostoń, Grzegorz; Grzelak, Paulina; Heimgartner, Heinz (2016). Strong influence of the trifluoromethyl group on the chemoselectivity of [3+2]-cycloadditions of thiocarbonyl S-methanides with α,β-unsaturated ketones. Journal of Fluorine Chemistry, 190:56-60.
Ghayor, Chafik; Weber, Franz E (2016). Epigenetic Regulation of Bone Remodeling and Its Impacts in Osteoporosis. International Journal of Molecular Sciences, 17(9):online.
Paz-Garcia, J M; Taiwo, O O; Tudisco, E; Finegan, D P; Shearing, P R; Brett, D J L; Hall, S A (2016). 4D analysis of the microstructural evolution of Si-based electrodes during lithiation : Time-lapse X-ray imaging and digital volume correlation. Journal of Power Sources, 320:196-203.
Hofer, Alexandre; Marques, Elia; Kieliger, Nicole; Gatter, Sarah-Kirsten N; Jordi, Sara; Ferrari, Elena; Hofmann, Manuel; Fitzpatrick, Teresa B; Hottiger, Michael O; Jessen, Henning J (2016). Chemoselective Dimerization of Phosphates. Organic Letters, 18(13):3222-3225.
Mlostoń, Grzegorz; Hamera-Faldyga, Roza; Celeda, Malgorzata; Gebicki, Krzystof; Heimgartner, Heinz (2016). Synthesis of ferrocenyl- and hetaryl-substituted 2,2,2-trifluoroethanols and their conversion into 2,2,2-trifluoroethanethiols using Lawesson’s reagent. Journal of Fluorine Chemistry, 188:147-152.
Mlostoń, Grzegorz; Wroblewska, Aneta; Heimgartner, Heinz (2016). Synthesis of optically active trifluoromethyl-substituted 2,3-dihydroimidazo[2,1-b]oxazoles. Journal of Fluorine Chemistry, 189:1-6.
Kraack, Jan Philip; Hamm, Peter (2016). Vibrational ladder-climbing in surface-enhanced, ultrafast infrared spectroscopy. Physical Chemistry Chemical Physics (PCCP), 18(24):16088-16093.
Schaffer, Michelle F; Peng, Guanya; Spingler, Bernhard; Schnabl, Joachim; Wang, Meitian; Olieric, Vincent; Sigel, Roland K O (2016). The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations. International Journal of Molecular Sciences, 17(7):988.
Rohner, Melanie; Medina-Molner, Alfredo; Spingler, Bernhard (2016). N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2. Inorganic Chemistry, 55(12):6130-6140.
Ram Kumar, Ram Mohan; Boro, Aleksandar; Fuchs, Bruno (2016). Involvement and Clinical Aspects of MicroRNA in Osteosarcoma. International Journal of Molecular Sciences, 17(6):877.
Markkanen, Enni; Meyer, Urs; Dianov, Grigory L (2016). DNA damage and repair in schizophrenia and autism: implications for cancer comorbidity and beyond. International Journal of Molecular Sciences, 17(6):E856.
Fritschi, Stephan P; Linden, Anthony; Heimgartner, Heinz (2016). Synthesis of Macrocyclic Lactones via Ring Transformation of 4-(w-Hydroxyalkyl)-1,3-oxazol-5(4H)-ones. Helvetica Chimica Acta, 99(7):523-538.
Rodenberg, Alexander; Orazietti, Margherita; Mosberger, Mathias; Bachmann, Cyril; Probst, Benjamin; Alberto, Roger; Hamm, Peter (2016). Quinones as reversible electron relays in artificial photosynthesis. ChemPhysChem, 17(9):1321-1328.
Xu, Min; Caflisch, Amedeo; Hamm, Peter (2016). Protein Structural Memory Influences Ligand Binding Mode(s) and Unbinding Rates. Journal of Chemical Theory and Computation, 12(3):1393-1399.
Kraack, Jan Philip; Kaech, Andres; Hamm, Peter (2016). Surface enhancement in ultrafast 2D ATR IR spectroscopy at the metal-liquid interface. Journal of Physical Chemistry C, 120(6):3350-3359.
Khlebnikov, Alexander F; Seyfried, Martin S; Heimgartner, Heinz (2016). Reactions of Diazomethanes with 5-Benzylidene-3-phenylrhodanine - A Computational Study. Helvetica Chimica Acta, 99(2):110-115.
Lotti, Davide; Hamm, Peter; Kraack, Jan Philip (2016). Surface-sensitive spectro-electrochemistry using ultrafast 2D ATR IR spectroscopy. Journal of Physical Chemistry C, 120(5):2883-2892.
Thorwirth, Sven; Lutter, Volker; Javadi Javed, Alireza; Gauss, Jürgen; Giesen, Thomas F (2016). Gas-Phase Spectroscopic Detection and Structural Elucidation of Carbon-Rich Group 14 Binary Clusters: Linear GeC3Ge. Journal of Physical Chemistry. A, 120(2):254-259.
Gil-Moreno, Selene; Jiménez-Martí, Elena; Palacios, Oscar; Zerbe, O; Dallinger, Reinhard; Capdevila, Merce; Atrian, Silvia (2016). Does Variation of the Inter-Domain Linker Sequence Modulate the Metal Binding Behaviour of Helix pomatia Cd-Metallothionein? International Journal of Molecular Sciences, 17(6):1-13.
Gurdal, Yeliz; Keskin, Seda (2016). A new approach for predicting gas separation performances of MOF membranes. Journal of Membrane Science, 519:45-54.
De Sarkar, Suman; Blom, Judith F; Bethuel, Yann; Jüttner, Friedrich; Gademann, Karl (2016). Allelopathic Activity of the Iron Chelator Anachelin - A Molecular Hybrid with a Dual Mode of Action. Helvetica Chimica Acta, 99(10):760-773.
Steffen, Fabio D; Sigel, Roland K O; Börner, Richard (2016). An atomistic view on carbocyanine photophysics in the realm of RNA. Physical Chemistry Chemical Physics (PCCP), 18(42):29045-29055.
Herrera, Alberto; Briceño, Alexander; Gonzalez, Teresa; Linden, Anthony; Heinemann, Frank W; Agrifoglio, Giuseppe; Pastrán, Jesús; Dorta, Romano (2016). Camphopyrazole-based N,N- and N,P-ligands and chiral complexes of Ni, Pd, and Rh: P–N bond activation upon Rh(I) complexation. Tetrahedron: Asymmetry, 27(16):759-767.
O'Malley, William; Rubbiani, Riccardo; Aulsebrook, Margaret; Grace, Michael; Spiccia, Leone; Tuck, Kellie; Gasser, Gilles; Graham, Bim (2016). Cellular Uptake and Photo-Cytotoxicity of a Gadolinium(III)-DOTA-Naphthalimide Complex “Clicked” to a Lipidated Tat Peptide. Molecules, 21(2):194.
Schilling, Mauro; Patzke, Greta R; Hutter, Jürg; Luber, Sandra (2016). Computational investigation and design of cobalt aqua complexes for homogeneous water oxidation. Journal of Physical Chemistry C, 120(15):7966-7975.
Zhang, Chao; Hutter, Jürg; Sprik, Michiel (2016). Computing the Kirkwoodg-Factor by Combining Constant Maxwell Electric Field and Electric Displacement Simulations: Application to the Dielectric Constant of Liquid Water. Journal of Physical Chemistry Letters, 7(14):2696-2701.
Bischof, David; Kehl, Florian; Michler, Markus (2016). Design method for a distributed Bragg resonator based evanescent field sensor. Optics Communications, 380:273-279.
Wilhelm, Jan; Del Ben, Mauro; Hutter, Jürg (2016). GW in the Gaussian and plane waves scheme with application to linear acenes. Journal of Chemical Theory and Computation, 12(8):3623-3635.
Dunstan, Matthew T; Maugeri, Serena A; Liu, Wen; Tucker, Matthew G; Taiwo, Oluwadamilola O; Gonzalez, Belen; Allan, Phoebe K; Gaultois, Michael W; Shearing, Paul R; Keen, David A; Phillips, Anthony E; Dove, Martin T; Scott, Stuart A; Dennis, John S; Grey, Clare P (2016). In situ studies of materials for high temperature CO2 capture and storage. Faraday Discussions, 192:217-240.
Gabardi, Silvia; Caravati, Sebastiano; Los, Jan H; Kühne, Thomas D; Bernasconi, Marco (2016). Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds. Journal of Chemical Physics, 144(20):204508.
Lanzani, Giorgio; Seitsonen, Ari P; Iannuzzi, Marcella; Laasonen, Kari; Pehkonen, Simo O (2016). Isomerism of Trimeric Aluminum Complexes in Aqueous Environments: Exploration via DFT-Based Metadynamics Simulation. Journal of Physical Chemistry B, 120(45):11800-11809.
Frei, Angelo; Sidler, David; Mokolokolo, Pennie; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Roodt, Andreas; Alberto, Roger (2016). Kinetics and Mechanism of CO Exchange infac-[MBr2(solvent)(CO)3]−(M = Re,99Tc). Inorganic Chemistry, 55(18):9352-9360.
Wilhelm, Jan; Seewald, Patrick; Del Ben, Mauro; Hutter, Jürg (2016). Large-Scale Cubic-Scaling Random Phase Approximation Correlation Energy Calculations Using a Gaussian Basis. Journal of Chemical Theory and Computation, 12:5851-5859.
Miceli, Giacomo; Hutter, Jürg; Pasquarello, Alfredo (2016). Liquid water through density-functional molecular dynamics: plane-wave vs atomic-orbital basis sets. Journal of Chemical Theory and Computation, 12(8):3456-3462.
Tarasava, Katsiaryna; Loebus, Jens; Freisinger, Eva (2016). Localization and Spectroscopic Analysis of the Cu(I) Binding Site in Wheat Metallothionein Ec-1. International Journal of Molecular Sciences, 17(3):371.
O'Malley, William I; Abdelkader, Elwy H; Aulsebrook, Margaret L; Rubbiani, Riccardo; Loh, Choy-Theng; Grace, Michael R; Spiccia, Leone; Gasser, Gilles; Otting, Gottfried; Tuck, Kellie L; Graham, Bim (2016). Luminescent Alkyne-Bearing Terbium(III) Complexes and Their Application to Bioorthogonal Protein Labeling. Inorganic Chemistry, 55(4):1674-1682.
Lardi, Martina; Murset, Valérie; Fischer, Hans-Martin; Mesa, Socorro; Ahrens, Christian H; Zamboni, Nicola; Pessi, Gabriella (2016). Metabolomic Profiling of Bradyrhizobium diazoefficiens-Induced Root Nodules Reveals Both Host Plant-Specific and Developmental Signatures. International Journal of Molecular Sciences, 17(6):815.
Bartova, Simona; Alberti, Elena; Sigel, Roland K O; Donghi, Daniela (2016). Metal ion binding to an RNA internal loop. Inorganica Chimica Acta, 452:104-110.
Börner, Richard; Kowerko, Danny; Guiset Miserachs, Helena; Schaffer, Michelle F; Sigel, Roland K O (2016). Metal ion induced heterogeneity in RNA folding studied by smFRET. Coordination Chemistry Reviews, 327-328:123-142.
Seyfried, Martin S; Alzeer, Jawad; Luedtke, Nathan W (2016). Molecular design and synthesis of a planar telomestatin analogue. European Journal of Organic Chemistry, 2016(2):367-372.
Wang, Fang; Wei, Shiqian; Zhang, Zhi; Patzke, Greta R; Zhou, Ying (2016). Oxygen vacancies as active sites for H$_2$S dissociation on the rutile TiO$_2$(110) surface: a first-principles study. Physical Chemistry Chemical Physics (PCCP), 18(9):6706-6712.
Satoh, Hiroko; Oda, Tomohiro; Nakakoji, Kumiyo; Uno, Takeaki; Tanaka, Hiroaki; Iwata, Satoru; Ohno, Koichi (2016). Potential energy surface-based automatic deduction of conformational transition networks and its application on quantum mechanical landscapes of d-glucose conformers. Journal of Chemical Theory and Computation, 12(11):5293-5308.
Leonidova, Anna; Mari, Cristina; Aebersold, Christine; Gasser, Gilles (2016). Selective Photorelease of an Organometallic-Containing Enzyme Inhibitor. Organometallics, 35(6):851-854.
Luber, Sandra (2016). Sum frequency generation of acetonitrile on a rutile (110) surface from density functional theory-based molecular dynamics. Journal of Physical Chemistry Letters, 7(24):5183-5187.
Hess, Jeannine; Patra, Malay; Pierroz, Vanessa; Spingler, Bernhard; Jabbar, Abdul; Ferrari, Stefano; Gasser, Robin B; Gasser, Gilles (2016). Synthesis, Characterization, and Biological Activity of Ferrocenyl Analogues of the Anthelmintic Drug Monepantel. Organometallics, 35(19):3369-3377.
Weder, Nicola; Alberto, Roger; Koitz, Ralph (2016). Thiourea derivatives as potent inhibitors of aluminum corrosion: atomic-level insight into adsorption and inhibition mechanisms. Journal of Physical Chemistry C, 120(3):1770-1777.
Bachmann, Michael; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik (2016). Tunable and Efficient White Light Phosphorescent Emission Based on Single Component N-Heterocyclic Carbene Platinum(II) Complexes. Inorganic Chemistry, 55(10):4733-4745.
Holmes-Smith, A Sheila; Crisp, Jacob; Hussain, Firasat; Patzke, Greta R; Hungerford, Graham (2016). Use of Lanthanide-Containing Polyoxometalates to Sensitise the Emission of Fluorescent Labelled Serum Albumin. ChemPhysChem, 17(3):418-424.
Linden, Anthony; Basu Baul, Tushar S (2016). π–π stacking motifs in dialkylbis{5-[(E)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes. Acta Crystallographica. Section C: Structural Chemistry, 72(4):313-325.
Wroblewska, Aneta; Mlostoń, Grzegorz; Heimgartner, Heinz (2015). Synthesis of optically active polyheterocycles containing pyrrolidine, imidazole, and 1,2,3-triazole rings. Tetrahedron: Asymmetry, 26(34):1448-1452.
Nettels, Daniel; Haenni, Dominik; Maillot, Sacha; Gueye, Moussa; Barth, Anders; Hirschfeld, Verena; Hübner, Christian G; Léonard, Jérémie; Schuler, Benjamin (2015). Excited-state annihilation reduces power dependence of single-molecule FRET experiments. Physical Chemistry Chemical Physics (PCCP), 17(48):32304-32315.
Wick, René; Tilley, S David (2015). Photovoltaic and Photoelectrochemical Solar Energy Conversion with Cu2O. Journal of Physical Chemistry C, 119(47):26243-26257.
Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik (2015). Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations. Inorganic Chemistry, 54(22):10748-10760.
Zheng, Wenwei; Borgia, Alessandro; Borgia, Madeleine B; Schuler, Benjamin; Best, Robert B (2015). Empirical Optimization of Interactions between Proteins and Chemical Denaturants in Molecular Simulations. Journal of Chemical Theory and Computation, 11(11):5543-5553.
Blöchliger, Nicolas; Caflisch, Amedeo; Vitalis, Andreas (2015). Weighted distance functions improve analysis of high-dimensional data: application to molecular dynamics simulations. Journal of Chemical Theory and Computation, 11(11):5481-5492.
Mintrop, Luise; Windisch, Johannes; Gotzmann, Carla; Alberto, Roger; Probst, Benjamin; Kurz, Philipp (2015). SnIVMetalloporphyrin/CoIII Complex: An All-Abundant-Element System for the Photocatalytic Production of H2 in Aqueous Solution. Journal of Physical Chemistry B, 119(43):13698-13706.
Hamm, Peter; Stock, Gerhard (2015). Nonadiabatic vibrational dynamics in the HCO$^-_2$⋅H$_2$O complex. Journal of Chemical Physics, 143(13):134308.
Anstaett, Philipp; Pierroz, Vanessa; Ferrari, Stefano; Gasser, Gilles (2015). Two-photon uncageable enzyme inhibitors bearing targeting vectors. Photochemical & Photobiological Sciences, 14(10):1821-1825.
Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K; Tanaka, Hidekazu (2015). Homogeneous SPC/E water nucleation in large molecular dynamics simulations. Journal of Chemical Physics, 143(6):064507.
Schuh, Kirsten; Kleist, Wolfgang; Høj, Martin; Jensen, Anker Degn; Beato, Pablo; Patzke, Greta R; Grunwaldt, Jan-Dierk (2015). Systematic study on the influence of the morphology of α-MoO3 in the selective oxidation of propylene. Journal of Solid State Chemistry, 228:42-52.
Kraack, Jan Philip; Lotti, Davide; Hamm, Peter (2015). 2D attenuated total reflectance infrared spectroscopy reveals ultrafast vibrational dynamics of organic monolayers at metal-liquid interfaces. Journal of Chemical Physics, 142(21):212413.
Cazade, Pierre-André; Tran, Halina; Bereau, Tristan; Das, Akshaya K; Kläsi, Felix; Hamm, Peter; Meuwly, Markus (2015). Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study. Journal of Chemical Physics, 142(21):212415.
Cameron, T Stanley; Grossert, J Stuart; Maheux, Chad R; Alarcon, Idralyn Q; Copeland, Catherine R; Linden, Anthony (2015). Inversion twinning in a second polymorph of the hydrochloride salt of the recreational drug ethylone. Acta Crystallographica. Section C: Structural Chemistry, 71(4):266-270.
Mlostoń, Grzegorz; Urbaniak, Katarzyna; Linden, Anthony; Heimgartner, Heinz (2015). Selenophen-2-yl-substituted thiocarbonyl ylides – at the borderline of dipolar and biradical reactivity. Helvetica Chimica Acta, 98(4):453-461.
Mlostoń, Grzegorz; Pipiak, Paulina; Linden, Anthony; Heimgartner, Heinz (2015). Studies on the reactions of thiocarbonyl s-methanides with hetaryl thioketones. Helvetica Chimica Acta, 98(4):462-473.
Wroblewska, Aneta; Mlostoń, Grzegorz; Heimgartner, Heinz (2015). Synthesis of optically active polycyclic N-heterocycles derived from L-prolinamine. Tetrahedron: Asymmetry, 26(8/9):505-509.
Gálvez, Maria Elena; Jacot, Roger; Scheffe, Jonathan; Cooper, Thomas; Patzke, Greta; Steinfeld, Aldo (2015). Physico-chemical changes in Ca, Sr and Al-doped La–Mn–O perovskites upon thermochemical splitting of CO2 via redox cycling. Physical Chemistry Chemical Physics (PCCP), 17(9):6629-6634.
Yuan, Haifeng; Gaiduk, Alexander; Siekierzycka, Joanna R; Fujiyoshi, Satoru; Matsushita, Michio; Nettels, Daniel; Schuler, Benjamin; Seidel, Claus A M; Orrit, Michel (2015). Temperature-cycle microscopy reveals single-molecule conformational heterogeneity. Physical Chemistry Chemical Physics (PCCP), 17(9):6532-6544.
Wang, Fang; Cao, Kun; Wu, Yi; Patzke, Greta R; Zhou, Ying (2015). Electronic and optical properties of N-doped Bi2O3 polymorphs for visible light-induced photocatalysis. Journal of Molecular Modeling, 21(3):2596-2604.
Pauli, Denise; Bienz, Stefan (2015). Regioselective solid-phase synthesis of N-monohydroxylated and N-mono-methylated acylpolyamine spider toxins using an 2-(orthonitrophenyl)ethanal-modified resin. Organic & Biomolecular Chemistry, 13:4473-4485.
Mlostoń, Grzegorz; Pipiak, Paulina; Linden, Anthony; Heimgartner, Heinz (2015). 1,3-Dipolar Cycloadditions of alpha-Diazo Ketones Derived from N-Protected (S)-Proline with Aromatic and Cycloaliphatic Thioketones. Helvetica Chimica Acta, 98(2):190-200.
Arnhold, Franziska S; Linden, Anthony; Heimgartner, Heinz (2015). Synthesis of Aib- and Phe(2Me)-Containing Cyclopentapeptides. Helvetica Chimica Acta, 98(2):155-178.
Arnhold, Franziska S; Linden, Anthony; Heimgartner, Heinz (2015). Synthesis of Cyclopentapeptides with Three to Five Aib Units. Helvetica Chimica Acta, 98(2):232-244.
Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz (2015). Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties. Organometallics, 34(2):408-418.
Zelder, Felix; Tivana, Lucas (2015). Corrin-based chemosensors for the ASSURED detection of endogenous cyanide. Organic & Biomolecular Chemistry, 13(1):14-17.
Koitz, Ralph; Nørskov, Jens K; Studt, Felix (2015). A systematic study of metal-supported boron nitride materials for the oxygen reduction reaction. Physical Chemistry Chemical Physics (PCCP), 17(19):12722-12727.
Iannuzzi, Marcella (2015). Ar Implantation at the hBN/Rh(111) Nanomesh by ab Initio Molecular Dynamics. Journal of Physical Chemistry C, 119(38):22198-22207.
da Silva, Julio C; Mader, Kevin; Holler, Mirko; Haberthür, David; Diaz, Ana; Guizar-Sicairos, Manuel; Cheng, Wu-Cheng; Shu, Yuying; Raabe, Jörg; Menzel, Andreas; van Bokhoven, Jeroen A (2015). Assessment of the 3 D Pore Structure and Individual Components of Preshaped Catalyst Bodies by X-Ray Imaging. ChemCatChem, 7(3):413-416.
Zoppi, Laura; Martin-Samos, L; Baldridge, Kim K (2015). Buckybowl superatom states: a unique route for electron transport? Physical Chemistry Chemical Physics (PCCP), 17(8):6114-6121.
Koitz, Ralph; Iannuzzi, Marcella; Hutter, Jürg (2015). Building blocks for two-dimensional metal–organic frameworks confined at the air–water interface: an ab initio molecular dynamics study. Journal of Physical Chemistry C, 119(8):4023-4030.
Anstaett, Philipp; Leonidova, Anna; Gasser, Gilles (2015). Caged Phosphate and the Slips and Misses in Determination of Quantum Yields for Ultraviolet-A-Induced Photouncaging. ChemPhysChem, 16:1857-1860.
Linden, Anthony (2015). Chemistry and structure in Acta Crystallographica Section C. Acta Crystallographica. Section C: Structural Chemistry, 71(1):1-2.
Locke, Harald; Herrera, Alberto; Heinemann, Frank W; Linden, Anthony; Frieß, Sibylle; Schmid, Bernhard; Dorta, Romano (2015). Chiral (SO)–N–(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N–H Activation and Selective Sulfoxide Reduction upon Ligand Coordination. Organometallics, 34(10):1925-1931.
Matsui, Fumihiko; Maejima, Naoyuki; Matsui, Hirosuke; Nishikawa, Hiroaki; Daimon, Hiroshi; Matsushita, Tomohiro; Muntwiler, Matthias; Stania, Roland; Greber, Thomas (2015). Circular dichroism in cu resonant auger electron diffraction. Zeitschrift fuer Physikalische Chemie, 230(4):519-535.
Prémont-Schwarz, Mirabelle; Schreck, Simon; Iannuzzi, Marcella; Nibbering, Erik T J; Odelius, Michael; Wernet, Philippe (2015). Correlating infrared and X-ray absorption energies for molecular-level insight into hydrogen bond making and breaking in solution. Journal of Physical Chemistry B, 119(25):8115-8124.
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Chen, Yi; Lehto, Erja; Uebelhart, Peter; Linden, Anthony; Hansen, Hans-Jürgen (2015). Excursion to the World of Heptacyclic Compounds Made of Azulenes and Acetylenedicarboxylates. Helvetica Chimica Acta, 98(7):913-937.
Rajendran, Prayanka; Kaufmann, Silvan; Vörös, János; Zenobi-Wong, Marcy; Demkó, László (2015). Femtomolar oligonucleotide detection by a one-step gold nanoparticle-based assay. Colloids and Surfaces. B, Biointerfaces, 135:193-200.
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Hahn, Konstanze R; Seitsonen, Ari P; Iannuzzi, Marcella; Hutter, Jürg (2015). Functionalization of CeO2(1 1 1) by deposition of small Ni clusters: effects on CO2Adsorption and O vacancy formation. ChemCatChem, 7(4):625-634.
Leonidova, Anna; Anstaett, Philipp; Pierroz, Vanessa; Spingler, Bernhard; Ferrari, Stefano; Gasser, Gilles (2015). Induction of Cytotoxicity through Photo-release of Aminoferrocene. Inorganic Chemistry, 54:9740-9748.
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Gurdal, Yeliz; Luber, Sandra; Hutter, Jürg; Iannuzzi, Marcella (2015). Non-innocent adsorption of Co-pyrphyrin on rutile(110). Physical Chemistry Chemical Physics (PCCP), 17(35):22846-22854.
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Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost (2015). Probing the structural and dynamical properties of liquid water with models including non-local electron correlation. Journal of Chemical Physics, 143(5):054506.
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Dil, J Hugo; Meier, Fabian; Osterwalder, Jürg (2015). Rashba-type spin splitting and spin interference of the Cu(111) surface state at room temperature. Journal of Electron Spectroscopy and Related Phenomena, 201:42-46.
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Isert, Nathan; Maret, Georg; Aegerter, Christof M (2015). Studying foam dynamics in levitated, dry and wet foams using diffusing wave spectroscopy. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 473:40-45.
Bader, Samuel L; Luescher, Michael U; Gademann, Karl (2015). Synthesis of maculalactone A and derivatives for environmental fate tracking studies. Organic & Biomolecular Chemistry, 13(1):199-206.
Haag, Philippe A; Steiger-Ronay, Valerie; Schmidlin, Patrick R (2015). The in vitro antimicrobial efficacy of PDT against periodontopathogenic bacteria. International Journal of Molecular Sciences, 16(11):27327-27338.
Carignano, Marcelo A; Kachmar, Ali; Hutter, Jürg (2015). Thermal Effects on $CH_3NH_3PbI_3$ Perovskite from Ab Initio Molecular Dynamics Simulations. Journal of Physical Chemistry C, 119(17):8991-8997.
Kaufmann, Elias; Hattori, Hiromu; Miyatake-Ondozabal, Hideki; Gademann, Karl (2015). Total synthesis of the glycosylated macrolide antibiotic fidaxomicin. Organic Letters, 17(14):3514-3517.
Shalaby, Tarek; Grotzer, Michael (2015). Tumor-Associated CSF MicroRNAs for the prediction and evaluation of CNS malignancies. International Journal of Molecular Sciences, 16(12):29103-29119.
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Golze, Dorothea; Hutter, Jürg; Iannuzzi, Marcella (2015). Wetting of water on hexagonal boron nitride@Rh(111): a QM/MM model based on atomic charges derived for nano-structured substrates. Physical Chemistry Chemical Physics (PCCP), 17(22):14307-14316.
Donten, Mateusz L; Hassan, Shabir; Popp, Alexander; Halter, Jonathan; Hauser, Karin; Hamm, Peter (2015). pH-Jump Induced Leucine Zipper Folding beyond the Diffusion Limit. Journal of Physical Chemistry B, 119(4):1425-1432.
Waldauer, Steven A; Stucki-Buchli, Brigitte; Frey, Lukas; Hamm, Peter (2014). Effect of viscogens on the kinetic response of a photoperturbed allosteric protein. Journal of Chemical Physics, 141(22):514.
Buchenberg, Sebastian; Knecht, Volker; Walser, Reto; Hamm, Peter; Stock, Gerhard (2014). Long-Range conformational transition of a photoswitchable allosteric protein: Molecular dynamics simulation study. Journal of Physical Chemistry B, 118(47):13468-13476.
Shalaby, Tarek; Fiaschetti, Giulio; Baumgartner, Martin; Grotzer, Michael A (2014). MicroRNA signatures as biomarkers and therapeutic target for CNS embryonal tumors: the pros and the cons. International Journal of Molecular Sciences, 15(11):21554-21586.
Hamm, Peter (2014). 2D-Raman-THz spectroscopy: A sensitive test of polarizable water models. Journal of Chemical Physics, 141(18):184201.
Meseck, Georg R; Käch, Andres; Seeger, Stefan (2014). Three-dimensional organization of surface-bound silicone nanofilaments revealed by focused ion beam nanotomography. Journal of Physical Chemistry C, 118(43):24967-24975.
Kroes, Jaap M H; Pietrucci, Fabio; Curioni, Alessandro; Andreoni, Wanda (2014). Characterizing and understanding divalent adsorbates on carbon nanotubes with ab initio and classical approaches: size, chirality, and coverage effects. Journal of Chemical Theory and Computation, 10(10):4672-4683.
Marty, Roman; Frauenrath, Holger; Helbing, Jan (2014). Aggregates from Perylene Bisimide Oligopeptides as a Test Case for Giant Vibrational Circular Dichroism. Journal of Physical Chemistry B, 118(38):11152-11160.
Hassan, Shabir; Schade, Marco; Shaw, Christopher P; Lévy, Raphaël; Hamm, Peter (2014). Response of villin headpiece-capped gold nanoparticles to ultrafast laser heating. Journal of Physical Chemistry B, 118(28):7954-7962.
Artus, Georg R J; Seeger, Stefan (2014). One-dimensional silicone nanofilaments. Advances in colloid and interface science, 209:144-162.
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Kraack, Jan Philip; Lotti, Davide; Hamm, Peter (2014). Ultrafast, Multidimensional attenuated total reflectance spectroscopy of adsorbates at metal surfaces. Journal of Physical Chemistry Letters, 5(13):2325-2329.
Khoramdareh, Zahra Kalantari; Hosseini-Yazdi, Seyed Abolfazl; Spingler, Bernhard; Khandar, Ali Akbar (2014). Copper(II) and zinc(II) complexes of mono- and tri-linked azacrown macrocycles: Synthesis, characterization, X-ray structure, phosphodiester hydrolysis and DNA cleavage. Inorganica Chimica Acta, 415:7-13.
Tanaka, Kyoko K; Diemand, Jürg; Angélil, Raymond; Tanaka, Hidekazu (2014). Free energy of cluster formation and a new scaling relation for the nucleation rate. Journal of Chemical Physics, 140(19):194310.
Khlebnikov, Alexander F; Konev, Alexander S; Virtsev, Alexander A; Yufit, Dmitri S; Mlostoń, Grzegorz; Heimgartner, Heinz (2014). Concerted vs. Non-Concerted 1,3-Dipolar Cycloadditions of Azomethine Ylides to Electron-Deficient Dialkyl 2,3-Dicyanobut-2-enedioates. Helvetica Chimica Acta, 97:453-470.
Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles (2014). Novel, mercury-free synthetic pathway for trifluoromethylthio-substituted metallocenes. Inorganic Chemistry, 53(7):3662-3667.
Cantoni, Marco; Holzer, Lorenz (2014). Advances in 3D focused ion beam tomography. MRS Bulletin, 39(4):354-360.
Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K; Tanaka, Hidekazu (2014). Properties of liquid clusters in large-scale molecular dynamics nucleation simulations. Journal of Chemical Physics, 140(7):074303.
Grazul, Magdalena; Sigel, Roland K O; Maake, Caroline; Besic-Gyenge, Emina; Lorenz, Ingo-Peter; Mayer, Peter; Czyz, Malgorzata; Budzisz, Elzbieta (2014). Synthesis, structure, physico-chemical and biological properties of metal(II) complexes with 5-amino-8-methyl-4H-benzopyran-4-one. Polyhedron, 67:136-144.
Mlostoń, Grzegorz; Obijalska, Emilia; Celeda, Malgorzata; Mittermeier, Verena; Linden, Anthony; Heimgartner, Heinz (2014). 1,3-Dipolar cycloadditions of fluorinated nitrones with thioketones. Journal of Fluorine Chemistry, 165:27-32.
Bornoz, Pauline; Abdi, Fatwa F; Tilley, S David; Dam, Bernard; van de Krol, Roel; Grätzel, Michael; Sivula, Kevin (2014). A bismuth vanadate–cuprous oxide tandem cell for overall solar water splitting. Journal of Physical Chemistry C, 118(30):16959-16966.
Greif, Michael; Castiglioni, Luca; Becker-Koch, David; Osterwalder, Jürg; Hengsberger, Matthias (2014). Acquisition of photoelectron diffraction patterns with a two-dimensional wide-angle electron analyzer. Journal of Electron Spectroscopy and Related Phenomena, 197:30-36.
Linden, Anthony (2014). Acta Crystallographica Section C in 2014. Acta Crystallographica. Section C, 70(1):1.
Basu Baul, Tushar S; Longkumer, Imliwati; Linden, Anthony (2014). An organomercury enzyme activator as a versatile template for new organomercury(II) compounds encompassing homobimetallic (RHg/Hg) and heterobimetallic (RHg/Cd) compositions: Syntheses, photoluminescence and structures. Journal of Organometallic Chemistry, 761:156-168.
Robinson, J A; Schmartz, Patrick; Zerbe, Katja; Abou-Hadeed, Khaled (2014). Bis-chlorination of a hexapeptide-PCP conjugate by the halogenase involved in vancomycin biosynthesis. Organic & Biomolecular Chemistry, 12(30):5574-5577.
Hutter, Juerg; Iannuzzi, Marcella; Schiffmann, Florian; VandeVondele, Joost (2014). CP2K: Atomistic simulations of condensed matter systems. Wiley Interdisciplinary Reviews. Computational Molecular Science, 4(1):15-25.
Cendula, Peter; Tilley, S David; Gimenez, Sixto; Bisquert, Juan; Schmid, Matthias; Grätzel, Michael; Schumacher, Jürgen O (2014). Calculation of the energy band diagram of a photoelectrochemical water splitting cell. Journal of Physical Chemistry C, 118(51):29599-29607.
Obijalska, Emilia; Kowalski, Marcin K; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (2014). Chemoselective trifluoromethylation of the C=N group of alpha-iminoketones derived from arylglyoxals. Journal of Fluorine Chemistry, 168:151-157.
Aebli, Balz; Männel-Croisé, Christine; Zelder, Felix (2014). Controlling binding dynamics of corrin-based chemosensors for cyanide. Inorganic Chemistry, 53(5):2516-2520.
Batel, Michael; Däpp, Alexander; Hunkeler, Andreas; Meier, Beat H; Kozerke, Sebastian; Ernst, Matthias (2014). Cross-polarization for dissolution dynamic nuclear polarization. Physical Chemistry Chemical Physics (PCCP), 16(39):21407-21416.
Batel, Michael; Däpp, Alexander; Hunkeler, Andreas; Meier, Beat H; Kozerke, Sebastian; Ernst, Matthias (2014). Cross-polarization for dissolution dynamic nuclear polarization. Physical Chemistry Chemical Physics (PCCP), 16(39):21407-21416.
Weisenburger, Siegfried; Jing, Bo; Hänni, Dominik; Reymond, Luc; Schuler, Benjamin; Renn, Alois; Sandoghdar, Vahid (2014). Cryogenic colocalization microscopy for nanometer-distance measurements. ChemPhysChem, 15(4):763-770.
Ursillo, Samer; Can, Daniel; N'Dongo, Harmel W Peindy; Schmutz, Paul; Spingler, Bernhard; Alberto, Roger (2014). Cyclopentadienyl Chemistry in Water: Synthesis and Properties of Bifunctionalized [(η$^5$-C$_5$H$_3${COOR}$_2$)M(CO)$_3$] (M = Re and $^{99m}$Tc) Complexes. Organometallics, 33(23):6945-6952.
Bil, Andrzej; Latajka, Zdzislaw; Hutter, Juerg; Morrison, Carole A (2014). Describing the chemical bonding in C-70 and C70O3 - A quantum chemical topology study. Chemical Physics, 433:22-30.
Schoenherr, Mandes; Slater, Ben; Hutter, Juerg; VandeVondele, Joost (2014). Dielectric properties of water ice, the ice Ih/XI phase transition, and an assessment of density functional theory. Journal of Physical Chemistry B, 118(2):590-596.
Aree, Thammarat; Bürgi, Hans-Beat; Chernyshov, Dmitry; Törnroos, Karl W (2014). Dynamics and thermodynamics of crystalline polymorphs. 3. γ-glycine, analysis of variable-temperature atomic displacement parameters, and comparison of polymorph stabilities. Journal of Physical Chemistry. A, 118(43):9951-9959.
Bil, Andrzej; Hutter, Juerg; Morrison, Carole A (2014). Electron transfer modifies chemical properties of C-70 fullerene surface: An ab initio molecular dynamics study of C70O3 molozonides doped with light atoms. Chemical Physics Letters, 605-606:93-97.
Leung, Anna E; Rubbiani, Riccardo; Gasser, Gilles; Tuck, Kellie L (2014). Enantioselective Total Syntheses of the Proposed Structures of Prevezol B and Evaluation of Anti-Cancer Activity. Organic & Biomolecular Chemistry, 12:8239-8246.
Urgel, Jose I; Ecija, David; Auwaerter, Willi; Papageorgiou, Anthoula C; Seitsonen, Ari P; Vijayaraghavan, Saranyan; Joshi, Sushobhan; Fischer, Sybille; Reichert, Joachim; Barth, Johannes V (2014). Five-Vertex lanthanide coordination on surfaces: A route to sophisticated nanoarchitectures and tessellations. Journal of Physical Chemistry C, 118(24):12908-12915.
Capelli, Silvia C; Bürgi, Hans-Beat; Mason, Sax A; Jayatilaka, Dylan (2014). Glycyl-L-alanine: A multi-temperature neutron study. Acta Crystallographica. Section C: Structural Chemistry, 70(10):949-952.
Adams, Donat J; Chappellet, Sabrina; Lincker, Frederic; Ibn-Elhaj, Mohammed; Watts, Benjamin; Iannuzzi, Marcella; Jung, Dubravka Sisak; Pignedoli, Carlo A; Passerone, Daniele (2014). Identifying Photoreaction Products in Cinnamate-Based Photoalignment Materials. Journal of Physical Chemistry C, 118(28):15422-15433.
Eller, Jens; Roth, Jörg; Marone, Federica; Stampanoni, Marco; Wokaun, Alexander; Büchi, Felix N (2014). Implications of polymer electrolyte fuel cell exposure to synchrotron radiation on gas diffusion layer water distribution. Journal of Power Sources, 245:796-800.
Linden, Anthony; Zhou, Yuehui; Heimgartner, Heinz (2014). Intra- and intermolecular Se...X(X= Se, O) interactions in selenium-containing heterocycles: 3-benzoylimino-5-(morpholin-4-yl)-1,2,4-diselenazole. Acta Crystallographica. Section C, 70(5):482-487.
Véron, Anna C; Zhang, Hui; Linden, Anthony; Nüesch, Frank; Heier, Jakob; Hany, Roland; Geiger, Thomas (2014). NIR-absorbing Heptamethine dyes with tailor-made counterions for application in light to energy conversion. Organic Letters, 16(4):1044-1047.
Luber, Sandra; Iannuzzi, Marcella; Hutter, Jürg (2014). Raman spectra from ab initio molecular dynamics and its application to liquid S-methyloxirane. Journal of Chemical Physics, 141(9):094503.
Shalaby, Tarek; Fiaschetti, Giulio; Baumgartner, Martin; Grotzer, Michael A (2014). Significance and therapeutic value of miRNAs in embryonal neural tumors. Molecules, 19(5):5821-5862.
Iannuzzi, Marcella; Tran, Fabien; Widmer, Roland; Dienel, Thomas; Radican, Kevin; Ding, Yun; Hutter, Jürg; Gröning, Oliver (2014). Site-selective adsorption of phthalocyanine on h-BN/Rh(111) nanomesh. Physical Chemistry Chemical Physics (PCCP), 16(24):12374.
Van, C-T; Zdobinsky, T; Seebohm, G; Nennstiel, D; Zerbe, O; Scherkenbeck, J (2014). Structural Prerequisites for Receptor Binding of Helicokinin I, a Diuretic Insect Neuropeptide from Helicoverpa zea. European Journal of Organic Chemistry, 13:2714-2725.
Varnholt, Birte; Oulevey, Patric; Luber, Sandra; Kumara, Chanaka; Dass, Amala; Buergi, Thomas (2014). Structural information on the Au-S Interface of thiolate-protected gold clusters: A raman spectroscopy study. Journal of Physical Chemistry C, 118(18):9604-9611.
Arnhold, Franziska S; Linden, Anthony; Heimgartner, Heinz (2014). Synthesis of Z-Protected Aib- and Phe(2Me)-Containing Pentapeptides and Their Crystal Structures. Helvetica Chimica Acta, 97(5):619-645.
Nadeem, Qaisar; Can, Daniel; Shen, Yunjun; Felber, Michael; Mahmood, Zaid; Alberto, Roger (2014). Synthesis of tripeptide derivatized cyclopentadienyl complexes of Technetium and Rhenium as radiopharmaceutical probes. Organic & Biomolecular Chemistry, 12(12):1966-1974.
Drinkel, Emma E; Wu, Linglin; Linden, Anthony; Dorta, Reto (2014). Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes. Organometallics, 33(3):627-636.
Basu Baul, Tushar S; Kundu, Sajal; Höpfl, Herbert; Tiekink, Edward R T; Linden, Anthony (2014). Synthesis, structures, and spectroscopic properties of Hg(II) complexes of bidentate NN and tridentate NNO Schiff-base ligands. Journal of Coordination Chemistry, 67(6):1061-1078.
Romanato, Paola; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K; Siegel, Jay S (2014). Through-space interactions in enshroudedm-terphenylsilanes. Journal of Physical Organic Chemistry, 27(4):277-283.
Zhang, Y; Clavadetscher, Jessica; Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik (2014). Tuning the luminescent properties of PT(II) acetylide complexes through varying the electronic properties of N-heterocyclic carbene ligands. Inorganic Chemistry, 53(2):756-771.
Humbert-Droz, Marie; Oulevey, Patric; Lawson Daku, Latévi Max; Luber, Sandra; Hagemann, Hans; Bürgi, Thomas (2014). Where does the Raman optical activity of [Rh(en)3]3+come from? Insight from a combined experimental and theoretical approach. Physical Chemistry Chemical Physics (PCCP), 16(42):23260-23273.
Mlostoń, Grzegorz; Obijalska, Emilia; Ziębacz, Paulina; Matyszewski, Krzysztof; Urbaniak, Katarzyna; Linden, Anthony; Heimgartner, Heinz (2013). Nucleophilic trifluoromethylation of aziridinyl ketones: A convenient access to fluorinated aziridinyl alcohols. Journal of Fluorine Chemistry, 156:192-197.
Scheffe, Jonathan R; Jacot, Roger; Patzke, Greta R; Steinfeld, Aldo (2013). Synthesis, Characterization, and Thermochemical Redox Performance of Hf4+, Zr4+, and Sc3+Doped Ceria for Splitting CO2. Journal of Physical Chemistry C, 117(46):24104-24114.
Shalaby, Tarek; Fiaschetti, Giulio; Nagasawa, Kazuo; Shin-Ya, Kazuo; Baumgartner, Martin; Grotzer, Michael (2013). G-quadruplexes as potential therapeutic targets for embryonal tumors. Molecules, 18(10):12500-12537.
Samartzis, Eleftherios Pierre; Noske, Aurelia; Dedes, Konstantin J; Fink, Daniel; Imesch, Patrick (2013). ARID1A mutations and PI3K/AKT pathway alterations in endometriosis and endometriosis-associated ovarian carcinomas. International Journal of Molecular Sciences, 14(9):18824-18849.
Stoykova, Svetlana A; Linden, Anthony; Heimgartner, Heinz (2013). Highly Constrained Linear Oligopeptides Containing Heterocyclic alpha-Amino Carboxylic Acids. Helvetica Chimica Acta, 96(9):1714-1732.
Diemand, Jürg; Angélil, Raymond; Tanaka, Kyoko K; Tanaka, Hidekazu (2013). Large scale molecular dynamics simulations of homogeneous nucleation. Journal of Chemical Physics, 139(7):074309.
Shi, Jungxing; Linden, Anthony; Heimgartner, Heinz (2013). Reactions of acid Chlorides/Ketenes with 2-substituted 4,5-Dihydro-4,4-dimethyl-1,3-thiazoles: Formation of Penam derivatives. Helvetica Chimica Acta, 96(8):1462-1481.
Nakajima, K; Haruna, T (2013). Symbolic local information transfer. European Physical Journal. Special Topics, 222(2):437-455.
Ali, Korany A; Ragab, Eman A; Mlostoń, Grzegorz; Celeda, Malgorzata; Linden, Anthony; Heimgartner, Heinz (2013). Unexpected reaction course of 3-Amino-5-aryl-1H-pyrazoles with Dialkyl Dicyanofumarates. Helvetica Chimica Acta, 96(4):633-643.
Pieczonka, Adam M; Ciepielowski, Krzysztof; Cebulska, Zofia; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (2013). New selenosemicarbazides derived from imidazole-based carbohydrazides. Helvetica Chimica Acta, 96(3):397-407.
Lee, Myung Won; Carr, Joshua K; Göllner, Michael; Hamm, Peter; Meuwly, Markus (2013). 2D IR spectra of cyanide in water investigated by molecular dynamics simulations. Journal of Chemical Physics, 139(5):054506.
Bachmann, Cyril; Guttentag, Miguel; Spingler, Bernhard; Alberto, Roger (2013). 3d element complexes of pentadentate bipyridine-pyridine-based ligand scaffolds: structures and photocatalytic activities. Inorganic Chemistry, 52(10):6055-6061.
Obijalska, Emilia; Mlostoń, Grzegorz; Utecht, Greta; Heimgartner, Heinz (2013). A new approach to α-(trifluoromethyl)benzyl substituted oxaziridines. Journal of Fluorine Chemistry, 151:7-11.
Farge, Laurent; Andre, Stéphane; Pawlak, Andrzej; Baravian, Christophe; Irvine, Sarah C; Philippe, Adrian-Marie (2013). A study of the deformation-induced whitening phenomenon for cavitating and non-cavitating semicrystalline polymers. Journal of Polymer Science. Part B, Polymer Physics, 51(10):826-841.
AbdAlla, Said; Langer, Andreas; Fu, Xuebin; Quitterer, Ursula (2013). ACE inhibition with Captopril Retards the development of signs of neurodegeneration in an animal model of Alzheimer's disease. International Journal of Molecular Sciences, 14(8):16917-16942.
Car, P-E; Spingler, B; Weyeneth, S; Patscheider, J; Patzke, Greta R (2013). All-inorganic 1D chain-based architecture of a novel dimanganese-substituted Keggin polyoxotungstate. Polyhedron, 52:151-158.
Leonidova, Anna; Joshi, Tanmaya; Nipkow, David; Frei, Angelo; Penner, Johanna-Elena; Konatschnig, Sandro; Patra, Malay; Gasser, Gilles (2013). An environmentally benign and cost-effective synthesis of Aminoferrocene and Aminoruthenocene. Organometallics, 32(6):2037-2040.
Del Ben, Mauro; Schoenherr, Mandes; Hutter, Juerg; VandeVondele, Joost (2013). Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory. Journal of Physical Chemistry Letters, 4(21):3753-3759.
Bogdanova, Anna; Makhro, Asya; Wang, Jue; Lipp, Peter; Kaestner, Lars (2013). Calcium in red blood cells-a perilous balance. International Journal of Molecular Sciences, 14(5):9848-9872.
Totti, Federico; Rajaraman, Gopalan; Iannuzzi, Marcella; Sessoli, Roberta (2013). Computational studies on SAMs of {Mn-6} SMMs on Au(111): Do properties change upon grafting? Journal of Physical Chemistry C, 117(14):7186-7190.
Véron, Anna C; Felber, Michael; Blacque, Olivier; Spingler, Bernhard (2013). Conformational flexibility of palladium BINAP complexes explored by X-ray analyses and DFT studies. Polyhedron, 52(SI):102-105.
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Jiang, Y; Huang, W; Schmalle, H W; Blacque, O; Fox, T; Berke, H (2013). Efficient Lewis Acid Promoted Alkene Hydrogenations Using Dinitrosyl Rhenium(−I) Hydride Catalysts. Organometallics, 32(23):7043-7052.
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Krishnan, Madhavi (2013). Electrostatic free energy for a confined nanoscale object in a fluid. Journal of Chemical Physics, 138:114906.
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Balasekaran, Samundeeswari Mariappan; Molski, Matthias; Spandl, Johann; Hagenbach, Adelheid; Alberto, Roger; Abram, Ulrich (2013). Hexafluoridotechnetate(IV) Revisited. Inorganic Chemistry, 52(12):7094-7099.
Gomez Diaz, Jaime; Ding, Yun; Koitz, Ralph; Seitsonen, Ari P; Iannuzzi, Marcella; Hutter, Juerg (2013). Hexagonal boron nitride on transition metal surfaces. Theoretical Chemistry Accounts, 132(4):1350.
Kochman, Michal A; Bil, Andrzej; Morrison, Carole A (2013). Hybrid QM/QM simulations of photochemical reactions in the molecular crystal N-salicylidene-2-chloroaniline. Physical Chemistry Chemical Physics (PCCP), 15(26):10803-10816.
Thøgersen, Jan; Réhault, Julien; Odelius, Michael; Ogden, Tom; Jena, Naresh K; Jensen, Svend J Knak; Keiding, Søren R; Helbing, Jan (2013). Hydration dynamics of aqueous nitrate. Journal of Physical Chemistry B, 117(12):3376-3388.
Wan, Xiaoqiong; Freisinger, Eva (2013). Incorporation of sulfide ions into the cadmium(II)-thiolate cluster of Cicer arietinum metallothionein2. Inorganic Chemistry, 52(2):785-792.
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Haenni, Dominik; Zosel, Franziska; Reymond, Luc; Nettels, Daniel; Schuler, Benjamin (2013). Intramolecular distances and dynamics from the combined Photon statistics of single-molecule FRET and photoinduced electron transfer. Journal of Physical Chemistry B, 117(42):13015-13028.
Magno, Andrea; Steiner, Sandra; Caflisch, Amedeo (2013). Mechanism ad kinetics of acetyl-lysine binding to bromodomains. Journal of Chemical Theory and Computation, 9(9):4225-4232.
Scherzer-Attali, Roni; Convertino, Marino; Pellarin, Riccardo; Gazit, Ehud; Segal, Daniel; Caflisch, Amedeo (2013). Methylations of Tryptophan-Modified Naphthoquinone affect its inhibitory potential toward Aβ aggregation. Journal of Physical Chemistry B, 117(6):1780-1789.
Kalgin, Igor V; Caflisch, Amedeo; Chekmarev, Sergei F; Karplus, Martin (2013). New Insights into the Folding of a β-Sheet Miniprotein in a Reduced Space of Collective Hydrogen Bond Variables: Application to a Hydrodynamic Analysis of the Folding Flow. Journal of Physical Chemistry B, 117(20):6092-6105.
Tran, Fabien; Hutter, Juerg (2013). Nonlocal van der Waals functionals: The case of rare-gas dimers and solids. Journal of Chemical Physics, 139(3):204103.
Mlostoń, Grzegorz; Wroblewska, Aneta; Obijalska, Emilia; Heimgartner, Heinz (2013). Optically active imidazole N-oxides derived from L-prolinamine. Tetrahedron: Asymmetry, 24(15-16):958-965.
Gyenge, Emina Besic; Lüscher, Daniel; Forny, Patrick; Antoniol, Martina; Geisberger, Georg; Walt, Heinrich; Patzke, Greta R; Maake, Caroline (2013). Photodynamic mechanisms induced by a combination of hypericin and a chlorin based-photosensitizer in head and neck squamous cell carcinoma cells. Photochemistry and Photobiology, 89(1):150-162.
Lüscher, Daniel Andreas. Photodynamic mechanisms induced by a combination of hypericin and a chlorin based-photosensitizer in head and neck squamous cell carcinoma cells. 2013, University of Zurich, Faculty of Medicine.
Zhang, Junping; Seeger, Stefan (2013). Silica/Silicone nanofilament hybrid coatings with almost perfect superhydrophobicity. ChemPhysChem, 14(8):1646-1651.
Golze, Dorothea; Iannuzzi, Marcella; Nguyen, Manh-Thuong; Passerone, Daniele; Hutter, Juerg (2013). Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach. Journal of Chemical Theory and Computation, 9(11):5086-5097.
Hofmann, Hagen; Nettels, Daniel; Schuler, Benjamin (2013). Single-molecule spectroscopy of the unexpected collapse of an unfolded protein at low pH. Journal of Chemical Physics, 139(12):121930.
Tarasava, K; Johannsen, S; Freisinger, Eva (2013). Solution structure of the circular γ-domain analog from the wheat metallothionein Ec-1. Molecules, 18:14414-14429.
Luber, Sandra (2013). Solvent effects in calculated vibrational raman optical activity spectra of alpha-Helices. Journal of Physical Chemistry. A, 117(13):2760-2770.
Maillefer-El Houar, Sarah; Uebelhart, Peter; Linden, Anthony; Hansen, Hans-Jürgen (2013). Synthesis and characterization of new Heptalenes with extended π-systems attached to them. Helvetica Chimica Acta, 96(8):1488-1541.
Botov, Svetlana; Stamellou, Eleni; Romanski, Steffen; Guttentag, Miguel; Alberto, Roger; Neudoerfl, Joerg-Martin; Yard, Benito; Schmalz, Hans-Guenther (2013). Synthesis and performance of Acyloxy-diene-Fe(CO)(3) complexes with variable chain lengths as enzyme-triggered carbon monoxide-releasing molecules. Organometallics, 32(13):3587-3594.
Mata, Guillaume; Luedtke, Nathan W (2013). Synthesis and solvatochromic fluorescence of biaryl pyrimidine nucleosides. Organic Letters, 15(10):2462-2465.
Basu Baul, Tushar S; Mizar, Archana; Eng, George; Far, Rowan; Linden, Anthony (2013). Synthesis and structural studies of dimethyltin(IV) 5-[(E)-2-(aryl)-1-diazenyl)quinolin-8-olates. Journal of Coordination Chemistry, 66(5):813-825.
Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles (2013). Synthesis of Ferrocenyl and Ruthenocenyl Thioamide derivatives using a single-step three-component reaction. Organometallics, 32(20):6098-6105.
Oetterli, René M; Prieto, Lucas; Spingler, Bernhard; Zelder, Felix (2013). Synthesis of a B ring opened 7,8-seco-Vitamin B12Derivative with Grob fragmentation. Organic Letters, 15(18):4630-4633.
Basu Baul, Tushar S; Kundu, Sajal; Höpfl, Herbert; Tiekink, Edward R T; Linden, Anthony (2013). Synthesis, crystal structures and optical properties of mercury(II) halide compounds with (E)-N-(pyridin-2-ylmethylidene)arylamines: Effect of ligand R-group upon structure. Polyhedron, 55:270-282.
Mahmood, A; Akgun, Z; Peng, Y; Müller, P; Jiang, Y; Berke, H; Jones, A G; Nicholson, T (2013). The synthesis and characterization of rhenium nitrosyl complexes. The X-ray crystal structures of [ReBr2(NO)(NCMe)3], [Re(NO)(N5)](BPh4)2] and [ReBr2(NO)(NCMe){py-CH2-NH∼CH2CH2-N(CH2-py)2}]. Inorganica Chimica Acta, 405:455-460.
Nikolaev, Valerij A; Supurgibekov, Murat B; Haiges, Ralf; Linden, Anthony; Prakash, G K Surya (2013). Thermolysis of trifluoromethyl-containing vinyldiazocarbonyl compounds and X-ray crystal structure analysis of unexpected reaction products. Journal of Fluorine Chemistry, 156:322-326.
Perakis, Fivos; Borek, Joanna A; Hamm, Peter (2013). Three-dimensional infrared spectroscopy of isotope-diluted ice Ih. Journal of Chemical Physics, 139(1):014501.
Yildirim, Handan; Greber, Thomas; Kara, Abdelkader (2013). Trends in adsorption characteristics of benzene on transition metal surfaces: Role of surface chemistry and van der Waals interactions. Journal of Physical Chemistry C, 117(40):20572-20583.
Shalit, Andrey; Perakis, Fivos; Hamm, Peter (2013). Two-dimensional infrared spectroscopy of isotope-diluted low density amorphous ice. Journal of Physical Chemistry B, 117(49):15512-15518.
Tran, Mai Thanh Quynh; Furger, Evelyne; Alberto, Roger (2013). Two-step activation prodrugs: transplatin mediated binding of chemotherapeutic agents to vitamin B-12. Organic & Biomolecular Chemistry, 11(19):3247-3254.
Hamm, Peter; Stock, Gerhard (2013). Vibrational conical intersections in the water dimer. Molecular Physics, 111(14-15):2046-2056.
Donten, Mateusz L; Hamm, Peter (2013). pH-jump induced α-helix folding of poly-l-glutamic acid. Chemical Physics, 422:124-130.
Storey, James William (2012). Towards the production of an ultra cold antihydrogen beam with the AEGIS apparatus. Hyperfine Interactions, 212(1-3):109-116.
Huber, Wilhelm; Broehler, Philip; Waetjen, Wim; Frank, Walter; Spingler, Bernhard; Kunz, Peter C (2012). Cytotoxicity of ruthenium(II) piano-stool complexes with imidazole-based PN ligands. Journal of Organometallic Chemistry, 717:187-194.
Prada-Gracia, Diego; Shevchuk, Roman; Hamm, Peter; Rao, Francesco (2012). Towards a microscopic description of the free-energy landscape of water. Journal of Chemical Physics, 137(14):144504.
Borek, Joanna; Perakis, Fivos; Kläsi, Felix; Garrett-Roe, Sean; Hamm, Peter (2012). Erratum: “Azide–water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy” [J. Chem. Phys. 136, 224503 (2012)]. Journal of Chemical Physics, 137(6):069902.
Stoykova, Svetlana A; Linden, Anthony; Heimgartner, Heinz (2012). Synthesis of Aib-Pro Oligopeptides by repeated Azirine coupling with the Aib-Pro synthon. Helvetica Chimica Acta, 95(8):1325-1350.
Zoppi, Laura; Siegel, Jay S; Baldridge, Kim K (2012). Electron transport and optical properties of curved aromatics. Wiley Interdisciplinary Reviews: Computational Molecular Science, 3(1):1-12.
Hutter, Juerg (2012). Car-Parrinello molecular dynamics. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2(4):604-612.
Puglisi, Alessandra; Benaglia, Maurizio; Annunziata, Rita; Siegel, Jay S (2012). Immobilization of Chiral Bifunctional Organocatalysts on Poly(methylhydrosiloxane). ChemCatChem, 4(7):972-975.
Abramson, Rebecca; Baldridge, Kim K (2012). Defined-sector explicit solvent in the continuum model approach for computational prediction of pKa. Molecular Physics, 110(19-20):2401-2412.
Huber, Sabrina M; Seyfried, Martin S; Linden, Anthony; Luedtke, Nathan W (2012). Excitonic luminescence of hemiporphyrazines. Inorganic chemistry, 51(13):7032-7038.
Borek, Joanna; Perakis, Fivos; Kläsi, Felix; Garrett-Roe, Sean; Hamm, Peter (2012). Azide–water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy. Journal of Chemical Physics, 136(22):224503.
Gebert, Andreas; Barth, Max; Linden, Anthony; Widmer, Ulrich; Heimgartner, Heinz (2012). Novel Synthesis of 2-Alkylquinolizinium-1-olates and their 1,3-Dipolar Cycloaddition reactions with Acetylenes. Helvetica Chimica Acta, 95(5):737-760.
Pensado, Alfonso S; Brehm, Martin; Thar, Jens; Seitsonen, Ari P; Kirchner, Barbara (2012). Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate. ChemPhysChem, 13(7, SI):1845-1853.
Cheng, Jun; Sulpizi, Marialore; VandeVondele, Joost; Sprik, Michiel (2012). Hole Localization and Thermochemistry of Oxidative Dehydrogenation of Aqueous Rutile TiO2(110). ChemCatChem, 4(5):636-640.
Mlostoń, G; Urbaniak, K; Wojciechowska, A; Linden, Anthony; Heimgartner, H (2012). Unexpected course of the reaction of 2-Unsubstituted 1H-Imidazole 3-Oxides with Ethyl Acrylate. Helvetica Chimica Acta, 95(4):577-585.
Hamm, Peter; Savolainen, Janne (2012). Two-dimensional-Raman-terahertz spectroscopy of water: Theory. Journal of Chemical Physics, 136(9):094516.
Pieczonka, A M; Mlostoń, G; Heimgartner, H (2012). Synthesis of Bis-Heterocyclic 1H-Imidazole 3-Oxides from 3-Oxido-1H-imidazole-4-carbohydrazides. Helvetica Chimica Acta, 95(3):404-414.
VandeVondele, Joost; Troester, Philipp; Tavan, Paul; Mathias, Gerald (2012). Vibrational Spectra of Phosphate Ions in Aqueous Solution Probed by First-Principles Molecular Dynamics. Journal of Physical Chemistry. A, 116(10):2466-2474.
Butterfield, Anna M; Gilomen, Bruno; Siegel, Jay S (2012). Kilogram-Scale Production of Corannulene. Organic Process Research and Development, 16(4):664-676.
Kuhn, Christoph (2012). An information-carrying and knowledge-producing molecular machine. A Monte-Carlo simulation. Journal of Molecular Modeling, 18(2):607-609.
Zobi, Fabio; Spingler, Bernhard (2012). Post-Protein-Binding Reactivity and Modifications of the fac-Re(CO)(3)](+) Core. Inorganic Chemistry, 51(3):1210-1212.
Reidy, Kerstin; Campanile, Carmen; Muff, Roman; Born, Walter; Fuchs, Bruno (2012). mTHPC-mediated photodynamic therapy is effective in the metastatic human 143B osteosarcoma cells. Photochemistry and Photobiology, 88(3):721-727.
Tsuchiizu, Masahisa; Omori, Yukiko; Suzumura, Yoshikazu; Bonnet, Marie-Laure; Robert, Vincent (2012). Ab initio derivation of multi-orbital extended Hubbard model for molecular crystals. Journal of Chemical Physics, 136(4):044519.
Valles-Pardo, Jose Luis; Guijt, Marieke C; Iannuzzi, Marcella; Joya, Khurram S; de Groot, Huub J M; Buda, Francesco (2012). Ab initio molecular dynamics study of water oxidation reaction pathways in Mono-Ru catalysts. ChemPhysChem, 13(1):140-146.
Da Pieve, Chiara; Spingler, Bernhard (2012). Nickel and cobalt complexes of 15,15-disubstituted 1,4,7,10,13-pentaazacyclohexadecane-14,16-dione ligands. Inorganica Chimica Acta, 380:230-235.
Kunz, Peter C; Thiel, Indre; Noffke, Anna Louisa; Reiss, Guido J; Mohr, Fabian; Spingler, Bernhard (2012). Ruthenium piano-stool complexes bearing imidazole-based PN ligands. Journal of Organometallic Chemistry, 697(1):33-40.
Vitalis, Andreas; Caflisch, Amedeo (2012). 50 Years of Lifson–Roig Models: Application to Molecular Simulation Data. Journal of Chemical Theory and Computation, 8(1):363-373.
Abou-Hadeed, Khaled; Molnar, Zoltàn A; Göksaltık, Pinar; Kunz, Roland W; Linden, Anthony; Hansen, Hans-Jürgen (2012). A new alkylation method for heptalene-4,5-dicarboxylates and of one of their pseudoester forms. Helvetica Chimica Acta, 95(6):885-921.
Erat, M C; Coles, J; Finazzo, C; Knobloch, B; Sigel, Roland K O (2012). Accurate analysis of Mg2+ binding to RNA: From classical methods to a novel iterative calculation procedure. Coordination Chemistry Reviews, 256(1-2):279-288.
Battiston, Stefano; Cincotti, S; Sornette, D; Treleaven, P; Caldarelli, G; Hommes, C; Kirman, A (2012). An economic and financial exploratory. European Physical Journal. Special Topics, 214(1):361-400.
Bosshard, Matthias; Markkanen, Enni; van Loon, Barbara (2012). Base excision repair in physiology and pathology of the central nervous system. International Journal of Molecular Sciences, 13(12):16172-16222.
Braband, Henrik; Imstepf, Sebastian; Benz, Michael; Spingler, Bernhard; Alberto, Roger (2012). Combining bifunctional chelator with (3+2)-Cycloaddition approaches: Synthesis of dual-function technetium complexes. Inorganic chemistry, 51(7):4051-4057.
Nettels, Daniel; Hoffmann, Armin; Schuler, Benjamin (2012). Correction to "Unfolded Protein and Peptide Dynamics Investigated with Single-Molecule FRET and Correlation Spectroscopy from Picoseconds to Seconds". Journal of Physical Chemistry B, 112:6137-6146.
Sulieman, Samer; Can, Daniel; Mertens, John; N'Dongo, Harmel W Peindy; Liu, Yu; Schmutz, Paul; Bauwens, Matthias; Spingler, Bernhard; Alberto, Roger (2012). Cyclopentadienyl-Based Amino Acids (Cp-aa) As Phenylalanine Analogues for Tumor Targeting: Syntheses and Biological Properties of (Cp-aa)M(CO)(3)](M = Mn, Re, Tc-99m). Organometallics, 31(19):6880-6886.
Batel, Michael; Krajewski, Marcin; Däpp, Alexander; Hunkeler, Andreas; Meier, Beat H; Kozerke, Sebastian; Ernst, Matthias (2012). Dissolution dynamic nuclear polarization efficiency enhanced by Hartmann–Hahn cross polarization. Chemical Physics Letters, 554:72-76.
Vitalis, Andreas; Caflisch, Amedeo (2012). Efficient Construction of Mesostate Networks from Molecular Dynamics Trajectories. Journal of Chemical Theory and Computation, 8(3):1108-1120.
Joshi, Tanmaya; Barbante, Gregory J; Francis, Paul S; Hogan, Conor F; Bond, Alan M; Gasser, Gilles; Spiccia, Leone (2012). Electrochemiluminescent monomers for solid support syntheses of Ru(II) PNA bioconjugates - multimodal biosensing tools with enhanced duplex stability. Inorganic chemistry, 51:3302-3315.
Müller, Kathrin; Seitsonen, Ari P; Brugger, Thomas; Westover, James; Greber, Thomas; Jung, Thomas; Kara, Abdelkader (2012). Electronic structure of an organic/metal interface: Pentacene/Cu(110). Journal of Physical Chemistry C, 116(44):23465-23471.
Dudle, Balz; Blacque, Olivier; Berke, Heinz (2012). Ethylene reactions of a ReH(eta(2)-BH4)(NO)(PPh3)(2)] complex: reductive elimination of ethane and oxidative coupling to butadiene. Organometallics, 31(5):1832-1839.
Salanne, Mathieu; Siqueira, Leonardo J A; Seitsonen, Ari P; Madden, Paul A; Kirchner, Barbara (2012). From molten salts to room temperature ionic liquids: Simulation studies on chloroaluminate systems. Faraday Discussions, 154:171-188.
Van den Hofen, J; Helbing, D; Pedreschi, D; Domingo-Ferrer, J; Gianotti, F; Christen, M (2012). FuturICT - The road towards ethical ICT. The European Physical Journal. Special Topics, 214(1):153-181.
Huang, Danzhi; Caflisch, Amedeo (2012). How Does Darunavir Prevent HIV-1 Protease Dimerization? Journal of Chemical Theory and Computation, 8(5):1786-1794.
Radhakrishnan, Aditya; Vitalis, Andreas; Mao, Albert H; Steffen, Adam T; Pappu, Rohit V (2012). Improved atomistic Monte Carlo simulations demonstrate that poly-L-proline adopts heterogeneous ensembles of conformations of semi-rigid segments interrupted by kinks. Journal of Physical Chemistry B, 116(23):6862-6871.
Romanski, Steffen; Ruecker, Hannelore; Stamellou, Eleni; Guttentag, Miguel; Neudoerfl, Joerg-Martin; Alberto, Roger; Amslinger, Sabine; Yard, Benito; Schmalz, Hans-Guenther (2012). Iron Dienylphosphate Tricarbonyl complexes as water-soluble enzyme-triggered CO-releasing molecules (ET-CORMs). Organometallics, 31(16):5800-5809.
Bloem, Robbert; Koziol, Klemens; Waldauer, Steven A; Buchli, Brigitte; Walser, Reto; Samatanga, Brighton; Jelesarov, Ilian; Hamm, Peter (2012). Ligand Binding Studied by 2D IR Spectroscopy Using the Azidohomoalanine Label. Journal of Physical Chemistry B, 116(46):13705-13712.
VandeVondele, J; Borštnik, U; Hutter, J (2012). Linear scaling self-consistent field calculations with millions of atoms in the condensed phase. Journal of Chemical Theory and Computation, 8(10):3565-3573.
Bonnet, Marie-Laure; Iannuzzi, Marcella; Sebastiani, Daniel; Hutter, Jürg (2012). Local disorder in lithium imide from density functional simulation and NMR spectroscopy. Journal of Physical Chemistry C, 116(35):18577-18583.
Arras, Emmanuel; Seitsonen, Ari Paavo; Klappenberger, Florian; Barth, Johannes V (2012). Nature of the attractive interaction between proton acceptors and organic ring systems. Physical Chemistry Chemical Physics (PCCP), 14(46):15995-16001.
Pieczonka, Adam M; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, Heinz (2012). New Optically Active Bis-Heterocycles Derived from (S)-Proline. Helvetica Chimica Acta, 95(9):1521-1530.
Hamm, Peter; Savolainen, Janne; Ono, Junichi; Tanimura, Yoshitaka (2012). Note: Inverted time-ordering in two-dimensional-Raman-terahertz spectroscopy of water. Journal of Chemical Physics, 136(23):236101.
Zoppi, Laura; Bauert, Tobias; Siegel, Jay S; Baldridge, Kim K; Ernst, K-H (2012). Pentagonal tiling with buckybowls: pentamethylcorannulene on Cu(111). Physical Chemistry Chemical Physics (PCCP), 14(38):13365-13369.
Waldauer, Steven A; Hassan, Shabir; Paoli, Beatrice; Donaldson, Paul M; Pfister, Rolf; Hamm, Peter; Caflisch, Amedeo; Pellarin, Riccardo (2012). Photocontrol of reversible amyloid formation with a minimal-design peptide. Journal of Physical Chemistry B, 116(30):8961-8973.
Ma, Jianqiang; Wilhelm, Michael J; Smith, Jonathan M; Dai, Hai-Lung (2012). Photolysis (193 nm) of SO2: nascent product energy distribution examined through IR emission. Journal of Physical Chemistry. A, 116(1):166-173.
Wagnière, Georges H (2012). Polarization-independent magnetic control of the light phase in a chiral optical fiber. Optics Communications, 285(21-22):4344-4346.
Mader, Kevin; Mokso, Rajmund; Raufaste, Christophe; Dollet, Benjamin; Santucci, Stéphane; Lambert, Jérôme; Stampanoni, Marco (2012). Quantitative 3D characterization of cellular materials: Segmentation and morphology of foam. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 415:230-238.
Patra, Malay; Gasser, Gilles; Wenzel, Michaela; Merz, Klaus; Bandow, Julia E; Metzler-Nolte, Nils (2012). Sandwich and half-sandwich derivatives of Platensimycin: synthesis and biological evaluation. Organometallics:5760-5771.
Del Ben, Mauro; Hutter, Juerg; VandeVondele, Joost (2012). Second-order moller-plesset perturbation theory in the condensed phase: an efficient and massively parallel gaussian and plane waves approach. Journal of Chemical Theory and Computation, 8(11):4177-4188.
Helbing, J (2012). Spin state transitions upon visible and infrared excitation of ferric MbN3. Chemical Physics, 396:17-22.
Lin, I-Chun; Seitsonen, Ari P; Tavernelli, Ivano; Rothlisberger, Ursula (2012). Structure and dynamics of liquid water from ab initio molecular dynamics-comparison of BLYP, PBE, and revPBE density functionals with and without van der Waals corrections. Journal of Chemical Theory and Computation, 8(10):3902-3910.
Mlostoń, Grzegorz; Pieczonka, Adam M; Wroblewska, Aneta; Linden, Anthony; Heimgartner, Heinz (2012). Studies on the synthesis and some reactions of (S)-proline hydrazides. Tetrahedron: Asymmetry, 23:795-801.
Mattarella, Martin; Siegel, Jay S (2012). Sym-(CH2X)5-corannulenes: molecular pentapods displaying functional group and bioconjugate appendages. Organic & Biomolecular Chemistry, 10(30):5799-5802.
Liu, Jingjing; Vieille-Petit, L; Linden, Anthony; Luan, X; Dorta, R (2012). Synthesis and structural characterization of LiI, ZnII, CdII, and HgII complexes containing a fluorinated β-diketiminate ligand. Journal of Organometallic Chemistry, 719:80-86.
Basu Baul, T S; Paul, A; Linden, Anthony (2012). Synthesis, characterization and crystal structures of 2-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)-1-diazenyl]benzoic acid and its polymeric and monomeric triorganotin(IV) complexes. Journal of Organometallic Chemistry, 696(26):4229-4235.
Yang, Xianghua; Fox, Thomas; Berke, Heinz (2012). Synthetic and mechanistic studies of metal-free transfer hydrogenations applying polarized olefins as hydrogen acceptors and amine borane adducts as hydrogen donors. Organic Communications, 10(4):852-860.
Kontic, R; Patzke, Greta R (2012). Synthetic trends for BiVO4 photocatalysts: Molybdenum substitution vs. TiO2 and SnO2 heterojunctions. Journal of Solid State Chemistry, 189:38-48.
Winterflood, Christian M; Ruckstuhl, Thomas; Reynolds, Nicholas P; Seeger, Stefan (2012). Tackling Sample-Related Artifacts in Membrane FCS Using Parallel SAF and UAF Detection. ChemPhysChem, 13(16):3655-3660.
Helbing, Jan; Devereux, Michael; Nienhaus, Karin; Nienhaus, G Ulrich; Hamm, Peter; Meuwly, Markus (2012). Temperature dependence of the heat diffusivity of proteins. Journal of Physical Chemistry A, 116(11):2620-2628.
Schade, Marco; Hamm, Peter (2012). Transition from IVR limited vibrational energy transport to bulk heat transport. Chemical Physics, 393(1):46-50.
Perakis, Fivos; Hamm, Peter (2012). Two-dimensional infrared spectroscopy of neat ice Ih. Physical Chemistry Chemical Physics (PCCP), 14(18):6250-6256.
Scalco, Riccardo; Caflisch, Amedeo (2012). Ultrametricity in Protein Folding Dynamics. Journal of Chemical Theory and Computation, 8(5):1580-1588.
Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano (2012). “Chiral-at-Metal” Hemilabile Nickel complexes with a latent d10-ML2Configuration: Receiving substrates with open arms. Organometallics, 31(17):6162-6171.
Marsalek, O; Elles, C G; Pieniazek, P A; Pluharova, E; VandeVondele, J; Bradforth, S E; Jungwirth, P (2011). Chasing charge localization and chemical reactivity following photoionization in liquid water. Journal of Chemical Physics, 135(22):224510.
Mlostoń, G; Pieczonka, A M; Kowalczyk, E; Linden, Anthony; Heimgartner, H (2011). Synthesis and selected reactions of hydrazides containing an imidazole moiety. Helvetica Chimica Acta, 94(10):1764-1777.
Jonchiere, R; Seitsonen, A P; Ferlat, G; Saitta, A M; Vuilleumier, R (2011). Van der Waals effects in ab initio water at ambient and supercritical conditions. Journal of Chemical Physics, 135(15):154503.
Zhou, Y; Linden, Anthony; Heimgartner, H (2011). Reactions of Imidoyl Isoselenocyanates with Aromatic 2-Amino N-Heterocycles and 1-Methyl-1H-imidazole. Helvetica Chimica Acta, 94(9):1575-1585.
Wetzel, C; Kunz, P C; Thiel, I; Spingler, B (2011). Gold(I) Catalysts with Bifunctional P, N Ligands. Inorganic Chemistry, 50(16):7863-7870.
Bonnet, M L; Tognetti, V (2011). The influence of density functional approximations on the description of LiH + NH(3) -> LiNH(2) + H(2) reaction. Chemical Physics Letters, 511(4-6):427-433.
Ding, Y; Iannuzzi, M; Hutter, J (2011). Investigation of Boron Nitride Nanomesh Interacting with Water. Journal of Physical Chemistry C, 115(28):13685-13692.
Dudle, B; Rajesh, K; Blacque, O; Berke, H (2011). Rhenium Nitrosyl complexes bearing large-bite-angle diphosphines. Organometallics, 30(11):2986-2992.
Garg, J A; Blacque, O; Venkatesan, K (2011). Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes. Inorganic Chemistry, 50(12):5430-5441.
Dong, H; Berke, H (2011). A mild and efficient rhenium-catalyzed transfer hydrogenation of terminal olefins using alcoholysis of amine-borane adducts as a reducing system. Journal of Organometallic Chemistry, 696(9):1803-1808.
Jiang, C; Blacque, O; Fox, T; Berke, H (2011). Heterolytic Cleavage of H(2) by Frustrated B/N Lewis Pairs. Organometallics, 30(8):2117-2124.
Réhault, Julien; Zanirato, V; Olivucci, M; Helbing, J (2011). Linear dichroism amplification: Adapting a long-known technique for ultrasensitive femtosecond IR spectroscopy. Journal of Chemical Physics, 134(12):124516.
Noffke, A L; Bongartz, M; Wätjen, W; Böhler, P; Spingler, B; Kunz, P C (2011). Synthesis, X-ray crystal structure and cytotoxicity of a new tetranuclear ruthenium arene complex. Journal of Organometallic Chemistry, 696(5):1096-1101.
Zhang, Y; Garg, J A; Michelin, C; Fox, T; Blacque, O; Venkatesan, K (2011). Synthesis and luminescent properties of cis bis-n-heterocyclic carbene platinum(II) bis-arylacetylide complexes. Inorganic Chemistry, 50(4):1220-1228.
Zhou, Y; Zheng, K; Grunwaldt, J D; Fox, T; Gu, L; Mo, X; Chen, G; Patzke, Greta R (2011). W/Mo-Oxide nanomaterials: structure-property relationships and ammonia-sensing studies. Journal of Physical Chemistry. C, 115(4):1134-1142.
Hussain, F; Sandriesser, S; Speldrich, M; Patzke, Greta R (2011). A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: {Ln(CH(3)COO)GeW(11)O(39)(H(2)O)}(2)](12-) {Ln = Eu(III), Tb(III), Dy(III), Tm(III), and Yb(III)}. Journal of Solid State Chemistry, 184(1):214-219.
Heimgartner, H; Linden, Anthony; Mekhael, M K G (2011). Reactions with 4-Hydroxy-2-methylbutananilides – unexpected formation of a cyclopropanecarboxamide. Helvetica Chimica Acta, 94(1):28-37.
Baarman, K; VandeVondele, J (2011). A comparison of accelerators for direct energy minimization in electronic structure calculations. Journal of Chemical Physics, 134(24):244104.
Donten, Mateusz L; Hamm, Peter; VandeVondele, Joost (2011). A consistent picture of the proton release mechanism of oNBA in water by ultrafast spectroscopy and ab initio molecular dynamics. Journal of Physical Chemistry. B, 115(5):1075-1083.
Ramaswamy, Rajesh; Sbalzarini, Ivo F (2011). A partial-propensity formulation of the stochastic simulation algorithm for chemical reaction networks with delays. Journal of Chemical Physics, 134(1):014106.
Mlostoń, Grzegorz; Jasiński, M; Heimgartner, H (2011). A straigthforward access to (imidazol-2-yl)acetates by reaction of 2-unsubstituted imidazole 3-oxides with dimethyl acetylenedicarboxylate. European Journal of Organic Chemistry, 2011(13):2542-2547.
Wagnière, G H; Rikken, G L J A (2011). Chirality and magnetism II: Free electron on an infinite helix, inverse Faraday effect and inverse magnetochiral effect. Chemical Physics Letters, 502(1-3):126-129.
Zheng, W; Qi, B; Rohrdanz, M A; Caflisch, A; Dinner, A R; Clementi, C (2011). Delineation of folding pathways of a β-sheet miniprotein. Journal of Physical Chemistry. B, 115(44):13065-13074.
Del Ben, M; Havenith, R W A; Broer, R; Stener, M (2011). Density functional study on the morphology and photoabsorption of CdSe nanoclusters. Journal of Physical Chemistry C, 115(34):16782-16796.
Calzaferri, G; Méallet-Renault, R; Brühwiler, D; Pansu, R; Dolamic, I; Dienel, T; Adler, P; Li, H; Kunzmann, A (2011). Designing dye–nanochannel antenna hybrid materials for light harvesting, transport and trapping. ChemPhysChem, 12(3):580-594.
Scalco, R; Caflisch, A (2011). Equilibrium distribution from distributed computing (simulations of protein folding). Journal of Physical Chemistry. B, 115(19):6358-6365.
Ramaswamy, Rajesh; Sbalzarini, Ivo F (2011). Exact on-lattice stochastic reaction-diffusion simulations using partial-propensity methods. Journal of Chemical Physics, 135(24):244103.
Matyus, E; Hutter, J; Muller-Herold, U; Reiher, M (2011). Extracting elements of molecular structure from the all-particle wave function. Journal of Chemical Physics, 135(20):204302.
Thipyapong, K; Uehara, T; Tooyama, Y; Braband, H; Alberto, R (2011). Insights into technetium amidoxime complex: oxo technetium(V) complex of n-substituted benzamidoxime as new basic structure for molecular imaging. Inorganic Chemistry, 50(3):992-998.
Rogano, F; Stojnic, D; Linden, Anthony; Abou-Hadeed, K; Hansen, H J (2011). Introduction of adjacent oxygen-functionalities in Dimethyl Heptalenedicarboxylates. Helvetica Chimica Acta, 94(7):1194-1215.
Ni, L; Hussain, F; Spingler, B; Weyeneth, S; Patzke, Greta R (2011). Lanthanoid-containing open wells–Dawson silicotungstates: Synthesis, crystal structures, and properties. Inorganic Chemistry, 50(11):4944-4955.
Bauert, T; Zoppi, L; Koller, G; Garcia, A; Baldridge, K K; Ernst, K H (2011). Large induced interface dipole moments without charge transfer: Buckybowls on metal surfaces. Journal of Physical Chemistry Letters, 2(21):2805-2809.
Li, Qiang; Seeger, Stefan (2011). Multidonor Deep-UV FRET study of Protein–Ligand binding and its potential to obtain structure information. Journal of Physical Chemistry B, 115(46):13643-13649.
Mlostoń, Grzegorz; Obijalska, E; Heimgartner, H (2011). New β-amino-α-trifluoromethyl alcohols and their exploration in the synthesis of trifluoromethylated imidazole derivatives. Journal of Fluorine Chemistry, 132(11):951-955.
Mlostoń, Grzegorz; Rygielska, D; Jasiński, M; Heimgartner, H (2011). Optically active imidazoles derived from enantiomerically pure trans-1,2-diaminocyclohexane. Tetrahedron: Asymmetry, 22(6):669-674.
Probst, B; Guttentag, M; Rodenberg, A; Hamm, P; Alberto, R (2011). Photocatalytic H2 production from water with rhenium and cobalt complexes. Inorganic Chemistry, 50(8):3404-3412.
Hoffmann, A; Nettels, D; Clark, J; Borgia, A; Radford, S E; Clarke, J; Schuler, B (2011). Quantifying heterogeneity and conformational dynamics from single molecule FRET of diffusing molecules: recurrence analysis of single particles (RASP). Physical Chemistry Chemical Physics (PCCP), 13(5):1857-1871.
Fu, C; Linden, Anthony; Heimgartner, H (2011). Reaction of optically active Oxiranes with Thiofenchone and 1-Methylpyrrolidine-2-thione. Formation of 1,3-Oxathiolanes and Thiiranes. Helvetica Chimica Acta, 94(5):773-784.
Murdachaew, G; Mundy, C J; Schenter, G K; Laino, T; Hutter, J (2011). Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice. Journal of Physical Chemistry. A, 115(23):6046-6053.
Graf, N; Thomasson, E; Tanno, A; Vörös, J; Zambelli, T (2011). Spontaneous formation of a vesicle multilayer on top of an exponentially growing polyelectrolyte multilayer mediated by diffusing poly-L-lysine. Journal of Physical Chemistry. B, 115(43):12386-12391.
Dannecker-Dörig, I; Linden, Anthony; Heimgartner, H (2011). Synthesis of Poly-Aib Oligopeptides and Aib-Containing Peptides via the 'Azirine/Oxazolone Method', and their crystal structures. Helvetica Chimica Acta, 94(6):993-1011.
Ince, M; Gartmann, N; Claessens, C G; Torres, T; Brühwiler, D (2011). Synthesis of subphthalocyanines as probes for the accessibility of silica nanochannels. Organic Letters, 13(18):4918-4921.
Yuan, H; Xia, T; Schuler, B; Orrit, M (2011). Temperature-cycle single-molecule FRET microscopy on polyprolines. Physical Chemistry Chemical Physics (PCCP), 13(5):1762-1769.
Blenn, C; Wyrsch, P; Althaus, F R (2011). The ups and downs of tannins as inhibitors of poly(ADP-ribose)glycohydrolase. Molecules, 16(2):1854-1877.
Garrett-Roe, S; Perakis, F; Rao, F; Hamm, P (2011). Three-dimensional infrared spectroscopy of isotope-substituted liquid water reveals heterogeneous dynamics. Journal of Physical Chemistry. B, 115(21):6976-6984.
Zelenka, K; Borsig, L; Alberto, R (2011). Trifunctional (99m)Tc based radiopharmaceuticals: metal-mediated conjugation of a peptide with a nucleus targeting intercalator. Organic & Biomolecular Chemistry, 9(4):1071-1078.
Perakis, F; Widmer, S; Hamm, P (2011). Two-dimensional infrared spectroscopy of isotope-diluted ice Ih. Journal of Chemical Physics, 134(20):204505.
Perakis, F; Hamm, P (2011). Two-dimensional infrared spectroscopy of supercooled water. Journal of Physical Chemistry. B, 115(18):5289-5293.
Rabe, Michael; Verdes, Dorinel; Seeger, Stefan (2011). Understanding protein adsorption phenomena at solid surfaces. Advances in Colloid and Interface Science, 162(1-2):87-106.
Donten, M L; Hamm, P (2011). pH-Jump overshooting. Journal of Physical Chemistry Letters, 2(13):1607-1611.
Mawad, N; Ghorbani-Salman Pour, F; Linden, Anthony; Heimgartner, H (2010). Synthesis and Crystal Structure of 3,3,6,6-Tetramethylmorpholine-2,5-dione, and its 5-Monothio- and 2,5-Dithio-Derivatives. Helvetica Chimica Acta, 93(12):2326-2346.
Garg, Jai Anand; Blacque, Olivier; Fox, Thomas; Venkatesan, Koushik (2010). Stable and tunable phosphorescent neutral cyclometalated Au(III) diaryl complexes. Inorganic Chemistry, 49(24):11463-11472.
Patra, M; Gasser, G; Wenzel, M; Merz, K; Bandow, J E; Metzler-Nolte, N (2010). Synthesis and biological evaluation of ferrocene-containing bioorganometallics inspired by the antibiotic platensimycin lead structure. Organometallics, 29(19):4312-4319.
Heimgartner, H; Linden, Anthony; Mlostoń, Grzegorz; Obijalska, E (2010). Synthesis of Three-, Five-, and Six-Membered Heterocycles Derived from New β-Amino-α-trifluoromethyl Alcohols. Helvetica Chimica Acta, 93(9):1725-1736.
Mlostoń, Grzegorz; Obijalska, E; Heimgartner, H (2010). Synthesis of β-amino-α-trifluoromethyl alcohols and their applications in organic synthesis. Journal of Fluorine Chemistry, 131(8):829-843.
Zobi, F; Degonda, A; Schaub, M C; Bogdanova, A Y (2010). CO releasing properties and cytoprotective effect of cis-trans-[Re(II)(CO)2Br2L2]n complexes. Inorganic Chemistry, 49(16):7313-7322.
Hofmann, J P; Zweidinger, S; Knapp, M; Seitsonen, A P; Schulte, K; Andersen, J N; Lundgren, E; Over, H (2010). Hydrogen-Promoted Chlorination of RuO2(110). Journal of Physical Chemistry C, 114(24):10901-10909.
Berke, H (2010). Conceptual approach to the reactivity of dihydrogen. ChemPhysChem, 11(9):1837-1849.
Ushkov, A V; Kuznetsov, M A; Linden, Anthony; Heimgartner, H (2010). Tri- and Tetra-Substituted N-Phthalimidoaziridines in 1,3-Dipolar Cycloaddition Reactions. Helvetica Chimica Acta, 93(5):847-862.
Schiffmann, F; VandeVondele, J; Hutter, J; Wirz, R; Urakawa, A; Baiker, A (2010). Protonation-Dependent Binding of Ruthenium Bipyridyl Complexes to the Anatase(101) Surface. Journal of Physical Chemistry C, 114(18):8398-8404.
Mloston, G; Obijalska, E; Linden, Anthony; Heimgartner, H (2010). Synthesis and structure of nitrones derived from 2-trifluoromethyl bornane 3-imines. Journal of Fluorine Chemistry, 131(5):578-583.
Backus, E H G; Bloem, R; Donaldson, P M; Ihalainen, J A; Pfister, R; Paoli, B; Caflisch, A; Hamm, P (2010). 2D-IR Study of a Photoswitchable Isotope-Labeled α-Helix. Journal of Physical Chemistry. B, 114(10):3735-3740.
Atanassov, P K; Linden, Anthony; Heimgartner, H (2010). Synthesis of 1,3-Selenazol-2(3H)-imines. Helvetica Chimica Acta, 93(3):395-404.
Romero-Isart, N; Oliva, B; Vašák, M (2010). Influence of NH-S gamma bonding interactions on the structure and dynamics of metallothioneins. Journal of Molecular Modeling, 16(3):387-394.
Briand, J; Bram, O; Rehault, J; Leonard, J; Cannizzo, A; Chergui, M; Zanirato, V; Olivucci, M; Helbing, J; Haacke, S (2010). Coherent ultrafast torsional motion and isomerization of a biomimetic dipolar photoswitch. Physical Chemistry Chemical Physics (PCCP), 12(13):3178-3187.
Avramovic, N; Hoeck, J; Blacque, O; Fox, T; Schmalle, H W; Berke, H (2010). Hydridic reactivity of W(CO)(H)(NO)(PMe3)(3) - Dihydrogen bonding and H-2 formation with protic donors. Journal of Organometallic Chemistry, 695(3):382-391.
Jiang, C; Blacque, O; Berke, H (2010). Activation of terminal alkynes by frustrated lewis pairs. Organometallics, 29(1):125-133.
Bayati, Basil; Owhadi, Houman; Koumoutsakos, Petros (2010). A cutoff phenomenon in accelerated stochastic simulations of chemical kinetics via flow averaging (FLAVOR-SSA). Journal of Chemical Physics, 133(24):244117.
Probst, B; Rodenberg, A; Guttentag, M; Hamm, P; Alberto, R (2010). A highly stable rhenium-cobalt system for photocatalytic H(2) production: unraveling the performance-limiting steps. Inorganic Chemistry, 49(14):6453-6460.
Ramaswamy, Rajesh; Sbalzarini, Ivo F (2010). A partial-propensity variant of the composition-rejection stochastic simulation algorithm for chemical reaction networks. The Journal of chemical physics, 132(4):044102.
El Rayes, S; Linden, Anthony; Abou-Hadeed, K; Hansen, H J (2010). Alkylation reactions at the benzo moiety of 2,4-Dimethoxy-3-(phenylsulfonyl)benzo[a]heptalenes – model compounds of colchicinoids. Helvetica Chimica Acta, 93(10):1894-1911.
Nonella, M; Suter, H U; Huber, J R (2010). An ab initio and dynamics study of the photodissociation of nitric acid HNO3. Chemical Physics Letters, 487(1-3):28-31.
Polyansky, Anton A; Ramaswamy, Rajesh; Volynsky, Pavel E; Sbalzarini, Ivo F; Marrink, Siewert J; Efremov, Roman G (2010). Antimicrobial Peptides Induce Growth of Phosphatidylglycerol Domains in a Model Bacterial Membrane. Journal of Physical Chemistry Letters, 1(20):3108-3111.
Peverati, R; Macrina, M; Baldridge, K K (2010). Assessment of DFT and DFT-D for potential energy surfaces of rare gas trimers - implementation and analysis of functionals and extrapolation procedures. Journal of Chemical Theory and Computation, 6(7):1951-1965.
Guidon, M; Hutter, J; VandeVondele, J (2010). Auxiliary density matrix methods for Hartree-Fock exchange calculations. Journal of Chemical Theory and Computation, 6(8):2348-2364.
Santangelo, M G; Antoni, P M; Spingler, B; Jeschke, G (2010). Can copper(II) mediate Hoogsteen base-pairing in a left-handed DNA duplex? A pulse EPR study. ChemPhysChem, 11(3):599-606.
Weber, V; Asthagiri, D (2010). Communication: Thermodynamics of water modeled using ab initio simulations. Journal of Chemical Physics, 133(14):141101.
Zhou, T; Lafleur, K; Caflisch, A (2010). Complementing ultrafast shape recognition with an optical isomerism descriptor. Journal of Molecular Graphics and Modelling, 29(3):443-449.
Clerc, J; Schellenberg, B; Groll, M; Bachmann, A S; Huber, R; Dudler, R; Kaiser, M (2010). Convergent synthesis and biological evaluation of syringolin a and derivatives as eukaryotic 20s proteasome inhibitors. European Journal of Organic Chemistry, 2010(21):3991-4003.
Magno, A; Caflisch, A; Pellarin, R (2010). Crowding effects on amyloid aggregation kinetics. Journal of Physical Chemistry Letters, (1):3027-3032.
Hofmann, J P; Zweidinger, S; Seitsonen, A P; Farkas, A; Knapp, M; Balmes, O; Lundgren, E; Andersen, J N; Over, H (2010). Dynamic response of chlorine atoms on a RuO2(110) model catalyst surface. Physical Chemistry Chemical Physics (PCCP), 12:15358-15366.
Malashikhin, S A; Baldridge, K K; Finney, Nathaniel S (2010). Efficient discovery of fluorescent chemosensors based on a biarylpyridine scaffold. Organic Letters, 12(5):940-943.
Gabi, Michael; Larmagnac, Alexandre; Schulte, Petra; Vörös, János (2010). Electrically controlling cell adhesion, growth and migration. Colloids and Surfaces. B, Biointerfaces, 79(2):365-371.
Qi, B; Muff, S; Caflisch, A; Dinner, A R (2010). Extracting physically intuitive reaction coordinates from transition networks of a beta-sheet miniprotein. Journal of Physical Chemistry. B, 114(20):6979-6989.
Jin, X; Linden, Anthony; Hansen, H J (2010). Formation of 6-Methyl-7,11-diphenylheptaleno[1,2-c]furanones. Helvetica Chimica Acta, 93(5):934-945.
Schuetz, P; Wuttke, R; Schuler, B; Caflisch, A (2010). Free energy surfaces from single-distance information. Journal of Physical Chemistry. B, 114(46):15227-15235.
Marsalek, O; Frigato, T; VandeVondele, J; Bradforth, S E; Schmidt, B; Schutte, C; Jungwirth, P (2010). Hydrogen forms in water by proton transfer to a distorted electron. Journal of Physical Chemistry. B, 114(2):915-920.
Hesske, H; Urakawa, A; VandeVondele, J; Baiker, A (2010). Insight into fundamental, overtone, and combination IR bands of surface and bulk Ba(NO3)2 by ab initio molecular dynamics. Journal of Physical Chemistry. C, 114(35):15042-15048.
Zahn, R; Boulmedais, F; Vörös, J; Schaaf, P; Zambelli, T (2010). Ion and solvent exchange processes in PGA/PAH polyelectrolyte multilayers containing ferrocyanide. Journal of Physical Chemistry. B, 114(11):3759-3768.
Zobi, F (2010). Ligand electronic parameters as a measure of the polarization of the C≡O bond in [M(CO)(x)L(y)]n complexes and of the relative stabilization of [M(CO)(x)L(y)](n/n+1) species. Inorganic Chemistry, 49(22):10370-10377.
Bellucci, L; Laino, T; Tafi, A; Botta, M (2010). Metadynamics Simulations of Enantioselective Acylation Give Insights into the Catalytic Mechanism of Burkholderia cepacia Lipase. Journal of Chemical Theory and Computation, 6(4):1145-1156.
Weber, V; Merchant, S; Dixit, P D; Asthagiri, D (2010). Molecular packing and chemical association in liquid water simulated using ab initio hybrid Monte Carlo and different exchange-correlation functionals. Journal of Chemical Physics, 132(20):204509.
Nonella, M; Seeger, S (2010). Monitoring peptide-surface interaction by means of molecular dynamics simulation. Chemical Physics, 378(1-3):73-81.
Seyfried, M S; Lauber, B S; Luedtke, N W (2010). Multiple-turnover isotopic labeling of Fmoc- and Boc-protected amino acids with oxygen isotopes. Organic Letters, 12(1):104-106.
Ma, H; Brugger, T; Berner, S; Ding, Y; Iannuzzi, M; Hutter, J; Osterwalder, J; Greber, T (2010). Nano-ice on boron nitride nanomesh: accessing proton disorder. ChemPhysChem, 11(2):399-403.
Roth, S; Leuenberger, D; Osterwalder, J; Dahl, J E; Carlson, R M K; Tkachenko, B A; Fokin, A A; Schreiner, P R; Hengsberger, M (2010). Negative-electron-affinity diamondoid monolayers as high-brilliance source for ultrashort electron pulses. Chemical Physics Letters, 495(1-3):102-108.
Kunz, P C; Wetzel, C; Bongartz, M; Noffke, A L; Spingler, B (2010). Novel multitopic diphos-type ligands. Journal of Organometallic Chemistry, 695(15-16):1891-1897.
Seitsonen, A P; Over, H (2010). Oxidation of HCl over TiO2-supported RuO2: A density functional theory study. Journal of Physical Chemistry. C, 114(51):22624-22629.
Nonella, M; Suter, H U; Huber, J R (2010). Predissociation via conformational change: Photodissociation of N,N-dimethylnitrosamine in the S1 state. Journal of Physical Chemistry. A, 114(50):13011-13015.
Gasecka, A; Dieu, L Q; Brühwiler, D; Brasselet, S (2010). Probing molecular order in zeolite L inclusion compounds using two-photon fluorescence polarimetric microscopy. Journal of Physical Chemistry. B, 114(12):4192-4198.
Ehtemam, M H; Rahiminejad, M R; Hojjatollah, S; Tabatabaei, B E S; Krattinger, S G; Keller, B (2010). Relationships among the A genomes of Triticum L. species as evidenced by SSR markers, in Iran. International Journal of Molecular Sciences, 11(11):4309-4325.
Vieille-Petit, L; Clavier, H; Linden, Anthony; Blumentritt, S; Nolan, S P; Dorta, R (2010). Ruthenium Olefin Metathesis Catalysts with N-Heterocyclic Carbene Ligands BearingN-Naphthyl Side Chains. Organometallics, 29(4):775-788.
Paoli, B; Pellarin, R; Caflisch, A (2010). Slow folding of cross-linked alpha-helical peptides due to steric hindrance. Journal of Physical Chemistry. B, 114(5):2023-2027.
Friedman, R; Pellarin, R; Caflisch, A (2010). Soluble Protofibrils as Metastable Intermediates in Simulations of Amyloid Fibril Degradation Induced by Lipid Vesicles. Journal of Physical Chemistry Letters:471-474.
Rao, F; Garrett-Roe, S; Hamm, P (2010). Structural inhomogeneity of water by complex network analysis. Journal of Physical Chemistry. B, 114(47):15598-15604.
Zahn, R; Vörös, J; Zambelli, T (2010). Swelling of electrochemically active polyelectrolyte multilayers. Current Opinion in Colloid & Interface Science, 15(6):427-434.
Liu, Y; Oliveira, B L; Correia, J D G; Santos, I C; Santos, I; Spingler, B; Alberto, R (2010). Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc. Organic & Biomolecular Chemistry, 8(12):2829-2839.
Pitchumony, T S; Spingler, B; Motterlini, R; Alberto, R (2010). Syntheses, structural characterization and CO releasing properties of boranocarbonate H3BCO2H](-) derivatives. Organic & Biomolecular Chemistry, 8(21):4849-4854.
Zonta, C; De Lucchi, O; Linden, Anthony; Lutz, M (2010). Synthesis and structure of D3h-symmetric triptycene trimaleimide. Molecules, 15(1):226-232.
Jin, X; Linden, Anthony; Hansen, H J (2010). Synthesis of 1-methyl-6,10-diphenylheptalene derivatives. Helvetica Chimica Acta, 93(4):729-745.
Oehlke, E; Alberto, R; Abram, U (2010). Synthesis, characterization, and structures of R3EOTcO3 complexes (E = C, Si, Ge, Sn, Pb) and related compounds. Inorganic Chemistry, 49(7):3525-3530.
Baldridge, K K; Hardcastle, K I; Seiders, T J; Siegel, J S (2010). Synthesis, structure and properties of decakis(phenylthio)corannulene. Organic & Biomolecular Chemistry, 8(1):53-55.
Garrett-Roe, S; Hamm, P (2010). The OH stretch vibration of liquid water reveals hydrogen-bond clusters. Physical Chemistry Chemical Physics (PCCP), 12(37):11263-11266.
Gartmann, N; Schütze, C; Ritter, H; Brühwiler, D (2010). The effect of water on the functionalization of mesoporous silica with 3-aminopropyltriethoxysilane. Journal of Physical Chemistry Letters, 1(1):379-382.
Hungerford, G; Hussain, F; Patzke, Greta R; Green, M (2010). The photophysics of europium and terbium polyoxometalates and their interaction with serum albumin: a time-resolved luminescence study. Physical Chemistry Chemical Physics (PCCP), 12(26):7266-7275.
Sugihara, K; Vörös, J; Zambelli, T (2010). The resistance of polyelectrolyte multilayers in a free-hanging configuration. Journal of Physical Chemistry. B, 114(44):13982-13987.
Braband, H; Imstepf, S; Felber, M; Spingler, B; Alberto, R (2010). Triazacyclohexane (tach) complexes of high-valent rhenium: syntheses of [(R(3)tach)ReO(3)](+) (R = -CH(3), -CH(2)C(6)H(5)) and its substitution reactions. Inorganic Chemistry, 49(4):1283-1285.
Wang, G L; Lin, Y J; Berke, H; Jin, G X (2010). Two-step assembly of multinuclear metallacycles with half-sandwich Ir, Rh, and Ru fragments for counteranion encapsulation. Inorganic Chemistry, 49(5):2193-2201.
Rabe, M; Verdes, D; Seeger, S (2010). Understanding cooperative protein adsorption events at the microscopic scale: a comparison between experimental data and Monte Carlo simulations. Journal of Physical Chemistry. B, 114(17):5862-5869.
Maccaroni, E; Dong, H; Blacque, O; Schmalle, H W; Frech, C M; Berke, H (2010). Water soluble phosphine rhenium complexes. Journal of Organometallic Chemistry, 695(4):487-494.
Hussain, F; Degonda, A; Sandriesser, S; Fox, T; Mal, S S; Kortz, U; Patzke, Greta R (2010). Yttrium containing head-on complexes of silico- and germanotungstate: Synthesis, structure and solution properties. Inorganica Chimica Acta, 363(15):4324-4328.
Semenov, S N; Blacque, O; Fox, T; Venkatesan, K; Berke, H (2010). [W(CO)(dppe)2] cumulenylidene and acetylide complexes accessed via stannylated acetylenes and butadiynes. Organometallics, 29(23):6321-6328.
Mlostoń, Grzegorz; Urbaniak, K; Domagała, M; Pfitzner, A; Zabel, M; Heimgartner, H (2009). Thermal [2+3]-cycloadditions of trans-1-methyl-2,3-diphenylaziridine with C=S and C=C dipolarophiles: An unexpected course with dimethyl dicyanofumarate. Helvetica Chimica Acta, 92(12):2631-2642.
Guidon, M; VandeVondele, J; Hutter, J (2009). Robust Periodic Hartree−Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets. Journal of Chemical Theory and Computation, 5(11):3010-3021.
Andresen, E R; Gremaud, R; Borgschulte, A; Ramirez-Cuesta, A J; Züttel, A; Hamm, P (2009). Vibrational dynamics of LiBH4 by infrared pump−probe and 2D spectroscopy. Journal of Physical Chemistry. A, 113(46):12838-12846.
Seyfried, M S; Linden, Anthony; Mlostoń, Grzegorz; Heimgartner, H (2009). Chemoselectivity of the Reactions of Diazomethanes with 5-Benzylidene-3-phenylrhodanine. Helvetica Chimica Acta, 92(9):1800-1816.
Peverati, R; Baldridge, K K (2009). Implementation and optimization of DFT-D/COSab with respect to basis set and functional: Application to polar processes of furfural derivatives in solution. Journal of Chemical Theory and Computation, 5(10):2772-2786.
Backus, E H G; Bloem, R; Pfister, Rolf; Moretto, A; Crisma, M; Toniolo, C; Hamm, P (2009). Dynamical Transition in a Small Helical Peptide and Its Implication for Vibrational Energy Transport. Journal of Physical Chemistry. B, 113(40):13405-13409.
Schade, M; Moretto, A; Crisma, M; Toniolo, C; Hamm, P (2009). Vibrational Energy Transport in Peptide Helices after Excitation of C−D Modes in Leu-d10. Journal of Physical Chemistry. B, 113(40):13393-13397.
Jiang, C; Blacque, O; Berke, H (2009). Metal-free hydrogen activation by the frustrated Lewis Pairs of ClB(C6F5)2 and HB(C6F5)2 and bulky Lewis bases. Organometallics, 28(17):5233 -5239.
Berke, H; Frech, C M; Llamazares, A; Blacque, O; Schmalle, H W (2009). Reactivity of Cationic Dinitrosyl Bisphosphine Rhenium Complexes toward Acetylene: Base-Controlled Product Formation. Organometallics, 18(28):5333-5340.
Jiang, Y; Blacque, O; Frech, C M; Fox, T; Berke, H (2009). Development of Rhenium Catalysts for Amine Borane Dehydrocoupling and Transfer Hydrogenation of Olefins. Organometallics, 28(18):5493-5504.
Gopich, I V; Nettels, D; Schuler, B; Szabo, A (2009). Protein dynamics from single-molecule fluorescence intensity correlation functions. Journal of Chemical Physics, 131(9):095102.
Mlostoń, Grzegorz; Celeda, M; Linden, Anthony; Heimgartner, H (2009). Two- and Three-Component Reactions Leading to New Enamines Derived from 2,3-Dicyanobut-2-enoates. Helvetica Chimica Acta, 92(8):1520-1537.
Schmidt, J; VandeVondele, J; Kuo, I F William; Sebastiani, D; Siepmann, J Ilja; Hutter, Jürg; Mundy, C J (2009). Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions. Journal of Physical Chemistry. B, 113(35):11959-11964.
Jiang, Y; Blacque, O; Fox, T; Frech, C M; Berke, H (2009). From alkynes to carbenes mediated by [Re(Br)(H)(NO)(PR3)2] (R = Cy, iPr) complexes. Organometallics, 28(16):4670-4680.
Weber, V; Iannuzzi, M; Giani, S; Hutter, J; Declerck, R; Waroquier, M (2009). Magnetic linear response properties calculations with the Gaussian and augmented-plane-wave method. Journal of Chemical Physics, 131(1):014106.
Schade, M; Hamm, P (2009). Vibrational energy transport in the presence of intrasite vibrational energy redistribution. Journal of Chemical Physics, 131(4):044511.
Trinh, T T; Jansen, A P J; van Santen, R A; VandeVondele, J; Meijer, E J (2009). Effect of Counter Ions on the Silica Oligomerization Reaction. ChemPhysChem, 10(11):1775-1782.
Füchslin, R M; Fellermann, H; Eriksson, A; Ziock, H J (2009). Coarse graining and scaling in dissipative particle dynamics. Journal of Chemical Physics, 130(21):214102.
Ritter, H; Brühwiler, D (2009). Accessibility of amino groups in postsynthetically modified mesoporous silica. Journal of Physical Chemistry C, 113(24):10667-10674.
Mlostoń, Grzegorz; Romański, J; Jasiński, M; Heimgartner, H (2009). Exploration of 4,5-dimethyl-1H-imidazole N-oxide derivatives in the synthesis of new achiral and chiral liquids. Tetrahedron: Asymmetry, 20(9):1073-1080.
Andresen, E R; Hamm, P (2009). Site-Specific Difference 2D-IR Spectroscopy of Bacteriorhodopsin. Journal of Physical Chemistry. B, 113(18):6520-6527.
Garrett-Roe, S; Hamm, P (2009). Purely absorptive three-dimensional infrared spectroscopy. Journal of Chemical Physics, 130(16):164510.
Zobi, F; Blacque, O; Steyl, G; Spingler, B (2009). Formation and Reactivity of [(tacn)-N-CO-ReIIIBr(CO)2]+ in Water: a Theoretical and Experimental Study. Inorganic Chemistry, 48(11):4963-4970.
Paoli, B; Seeber, M; Backus, E H; Ihalainen, J A; Hamm, P; Caflisch, A (2009). Bulky Side Chains and Non-native Salt Bridges Slow down the Folding of a Cross-Linked Helical Peptide: A Combined Molecular Dynamics and Time-Resolved Infrared Spectroscopy Study. Journal of Physical Chemistry. B, 113(13):4435-4442.
Muff, S; Caflisch, A (2009). Identification of the protein folding transition state from molecular dynamics trajectories. Journal of Chemical Physics, 130(12):125104.
Peindy N'Dongo, H W; Liu, Y; Can, D; Schmutz, P; Spingler, B; Alberto, R (2009). Aqueous syntheses of [(Cp-R)M(CO)3] type complexes (Cp = cyclopentadienyl, M = Mn, 99mTc, Re) with bioactive functionalities. Journal of Organometallic Chemistry, 694(6):981-987.
Bruschi, M; Limacher, P A; Hutter, J; Luethi, H P (2009). A Scheme for the Evaluation of Electron Delocalization and Conjugation Efficiency in Linearly π-Conjugated Systems. Journal of Chemical Theory and Computation, 5(3):506-514.
Muff, S; Caflisch, A (2009). ETNA: Equilibrium Transitions Network and Arrhenius Equation for Extracting Folding Kinetics from REMD Simulations. Journal of Physical Chemistry. B, 113(10):3218-3226.
Bregy, H; Heimgartner, H; Helbing, J (2009). A Time-resolved Spectroscopic Comparison of the Photoisomerization of Small beta-Turn-forming Thioxopeptides. Journal of Physical Chemistry. B, 113(6):1756-1762.
Satoh, H; Hutter, J; Luethi, H P; Manabe, S; Ishii, K; Ito, Y (2009). Low-Barrier Pathway for endo-Cleavage Induced Anomerization of Pyranosides with N-Benzyl-2,3-trans-oxazolidinone Groups. European Journal of Organic Chemistry, 2009(8):1127-1131.
Linden, Anthony; Petridis, A; James, B D (2009). Structural Diversity in Thallium Chemistry. Part VI. Analysis of Structure Correlation in Organoammonium Bromothallates(III). Helvetica Chimica Acta, 92(1):29-71.
Wu, Y T; Tai, C C; Lin, W C; Baldridge, K K (2009). 1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c’:5,6-c’’]trithiophene: a twisted heteroacene. Organic & Biomolecular Chemistry, 7(13):2748-2755.
Ramaswamy, Rajesh; González-Segredo, Nélido; Sbalzarini, Ivo F (2009). A new class of highly efficient exact stochastic simulation algorithms for chemical reaction networks. The Journal of chemical physics, 130(24):244104.
Tilley, S David; Reber, Keith P; Sorensen, Erik J (2009). A rapid, asymmetric synthesis of the Decahydrofluorene core of the hirsutellones. Organic Letters, 11(3):701-703.
Peverati, R; Siegel, J S; Baldridge, K K (2009). Ab initio quantum chemical computations of substituent effects on triaziridine strain energy and heat of formation. Physical Chemistry Chemical Physics (PCCP), 11(14):2387-2395.
Piccini, C; Conde, D; Pernthaler, J; Sommaruga, R (2009). Alteration of chromophoric dissolved organic matter by solar UV radiation causes rapid changes in bacterial community composition. Photochemical & Photobiological Sciences, 8(9):1321-1328.
Probst, B; Kolano, C; Hamm, P; Alberto, R (2009). An efficient homogeneous intermolecular rhenium based photocatalytic system for the production of H2. Inorganic Chemistry, 48(5):1836-1843.
Mjolsness, E; Orendorff, D; Chatelain, P; Koumoutsakos, P (2009). An exact accelerated stochastic simulation algorithm. The Journal of chemical physics, 130(14):144110.
Wagnière, G H; Rikken, G L J A (2009). Chirality and magnetism: Free electron on an infinite helix, NCD, MCD,and magnetochiral dichroism. Chemical Physics Letters, 481(4-6):166-168.
Basu Baul, T S; Mizar, A; Pauli, A; Ruisi, G; Willem, R; Biesemans, M; Linden, Anthony (2009). Crystal and solution structures of di-n-butyltin(IV) complexes of 5-[(E)-2-(4-methoxyphenyl)-1-diazenyl]quinolin-8-ol and benzoic acid derivatives: En route to elegant self-assembly via modulation of the tin coordination geometry. Journal of Organometallic Chemistry, 694(14):2142-2152.
Rahanyan, N; Linden, Anthony; Baldridge, K K; Siegel, J S (2009). Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives. Organic & Biomolecular Chemistry, 7(10):2082-2092.
Niklasson, A M N; Steneteg, P; Odell, A; Bock, N; Challacombe, M; Tymczak, C J; Holmstroem, E; Zheng, G; Weber, V (2009). Extended Lagrangian Born–Oppenheimer molecular dynamics with dissipation. Journal of Chemical Physics, 130(21):214109.
Alberto, R; N'Dongo, H W P; Clericuzio, M; Bonetti, S; Gabano, E; Cassino, C; Ravera, M; Osella, D (2009). Functionalized thymidine derivatives as carriers for the γ-emitter technetium tricarbonyl moiety. Inorganica Chimica Acta, 362(13):4785-4790.
Angelov, Todor; Guainazzi, Angelo; Schärer, Orlando D (2009). Generation of DNA interstrand cross-links by post-synthetic reductive amination. Organic Letters, 11(3):661-664.
Furler, M; Knobloch, B; Sigel, Roland K O (2009). Influence of decreased solvent permittivity on the structure and magnesium(II)-binding properties of the catalytic domain 5 of a group II intron ribozyme. Inorganica Chimica Acta, 362(3):771-776.
Harms, J H; Lautenschlager, S; Minder, C E; Minder, E I (2009). Mitigating photosensitivity of erythropoietic protoporphyria patients by an agonistic analog of alpha-melanocyte stimulating hormone. Photochemistry and Photobiology, 85(6):1434-1439.
Neumann, M (2009). Molecular neuropathology of TDP-43 proteinopathies. International Journal of Molecular Sciences, 10(1):232-246.
Allkofer, Y (2009). Observation of πK-atoms with DIRAC-II. Hyperfine Interactions, 193(1-3):39-45.
Zobi, F (2009). Parametrization of the contribution of mono- and bidentate ligands on the symmetric C=O stretching frequency of fac-[Re(CO)3]+ complexes. Inorganic Chemistry, 48(22):10845-10855.
Klosterman, J K; Baldridge, K K; Siegel, J S (2009). Photophysics of manisyl-substituted 2-pyridin-2-yl-1,10-phenanthrolines. Dual emission dependent on structure and solvent. Physical Chemistry Chemical Physics (PCCP), 11(26):5408-5415.
Männel-Croisé, C; Zelder, F (2009). Side chains of cobalt corrinoids control the sensitivity and selectivity in the colorimetric detection of cyanide. Inorganic Chemistry, 48(4):1272-1274.
Schicht, O; Freisinger, Eva (2009). Spectroscopic characterization of Cicer arietinum metallothionein 1. Inorganica Chimica Acta, 362(3):714-724.
Gerber, R; Blacque, O; Frech, C M (2009). Suzuki cross-coupling reactions catalyzed by an aliphatic phosphine based pincer complex of Palladium performed in air, using water and NaOH as solvent and base. ChemCatChem, 1(3):393-400.
Collin, M P; Hobbie, S N; Böttger, E C; Vasella, A (2009). Synthesis and Evaluation of S- and C(1)-Substituted Analogues of Lincomycin. Helvetica Chimica Acta, 92(2):230-266.
Maag, R; Northrop, B H; Butterfield, A; Linden, Anthony; Zerbe, O; Lee, Y M; Chi, K W; Stang, P J; Siegel, J S (2009). Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons. Organic & Biomolecular Chemistry, 7(23):4881 -4885.
Zobi, F; Kromer, L; Spingler, B; Alberto, R (2009). Synthesis and reactivities of the 17 e- complex [ReIIBr4(CO)2]2-: A convenient entry into Rhenium(II) chemistry. Inorganic Chemistry, 48(18):8965-8970.
Frantz, D K; Sullivan, A A; Yasui, Y; Linden, Anthony; Baldridge, K K; Siegel, J S (2009). Synthesis, X-ray crystal structures, and computational studies of 1,1’-bridged 4,4’-diaryl-2,2’-bibenzimidazoles: novel building blocks for supramolecular structures. Organic & Biomolecular Chemistry, 7(11):2347-2352.
Frech, C M; Shimon, L J W; Milstein, D (2009). Unsaturated Rh(I) and Rh(III) Naphthyl-based PCP complexes. Major steric effect on reactivity. Organometallics, 28(6):1900-1908.
Masson, F; Laino, T; Rothlisberger, U; Hutter, J (2008). A QM/MM Investigation of Thymine Dimer Radical Anion Splitting Catalyzed by DNA Photolyase. ChemPhysChem, 10(2):400-410.
Peverati, R; Baldridge, K K (2008). Implementation and optimization of DFT-D with respect to basis set and functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons. Journal of Chemical Theory and Computation, 4(12):2030-2048.
Backus, E H G; Nguyen, P H; Botan, V; Moretto, A; Crisma, M; Toniolo, C; Zerbe, O; Stock, G; Hamm, P (2008). Structural flexibility of a helical peptide regulates vibrational energy transport properties. Journal of Physical Chemistry. B, 112(48):15487-15492.
Mariz, R; Briceño, A; Dorta, Reto; Dorta, Romano (2008). Chiral dibenzazepine-based P-alkene ligands and their Rhodium complexes: catalytic asymmetric 1,4 additions to enones. Organometallics, 27(24):6605-6613.
Méret, M; Bienz, S (2008). Efficient and flexible solid-phase synthesis of N-hydroxypolyamine derivatives. European Journal of Organic Chemistry, (33):5518-5525.
Botan, V; Hamm, P (2008). Intramolecular vibrational energy relaxation in nitrous acid (HONO). Journal of Chemical Physics, 129(16):164506.
Pfister, Rolf; Ihalainen, J; Hamm, P; Kolano, C (2008). Synthesis, characterization and applicability of three isotope labeled azobenzene photoswitches. Organic & Biomolecular Chemistry, 6(19):3508-3517.
Bisson, William H; Westera, Gerrit; Schubiger, P Augustus; Scapozza, Leonardo (2008). Homology modeling and dynamics of the extracellular domain of rat and human neuronal nicotinic acetylcholine receptor subtypes α4β2 and α7. Journal of Molecular Modeling, 14(10):891-899.
Krumeich, F; Patzke, Greta R (2008). A series of aluminum tungsten oxides crystallizing in a new ReO3-related structure type. Journal of Solid State Chemistry, 181(10):2646-2652.
Botan, V; Hamm, P (2008). Temperature dependence of the IR driven cis-trans isomerization of nitrous acid (HONO). Journal of Chemical Physics, 129(11):114510.
Malashikhin, S A; Linden, Anthony; Heimgartner, H; Rodina, L L; Nikolaev, V A (2008). Synthesis and structures of two isomeric 4-diazo-2,3,4,5-tetrahydrofuran-3-ones. Helvetica Chimica Acta, 91(9):1662-1668.
Pathak, Rashmi; Perez-Fernandez, Déborah; Nandurdikar, Rahul; Kalapala, Sarath K; Böttger, Erik C; Vasella, Andrea (2008). Synthesis and evaluation of paromomycin derivates modified at C(4'). Helvetica Chimica Acta, 91(8):1533-1552.
Mlostoń, Grzegorz; Woźnicka, M; Drabowicz, J; Linden, Anthony; Heimgartner, H (2008). Addition reactions of sulfenyl and sulfinyl chlorides with 3-phenyl-1-azabicyclo[1.1.0]butane. Helvetica Chimica Acta, 91(8):1419-1429.
Klosterman, J K; Linden, Anthony; Siegel, J S (2008). Synthesis of aryl-substituted 2-pyridyl-1,10-phenanthrolines : a series of oriented terpyridine analogues. Organic & Biomolecular Chemistry, 6(15):2755-2764.
Backus, E H G; Nguyen, P H; Botan, V; Pfister, R; Moretto, A; Crisma, M; Toniolo, C; Stock, G; Hamm, P (2008). Energy transport in peptide helices: a comparison between high- and low-energy excitations. Journal of Physical Chemistry. B, 112(30):9091-9099.
Botan, V; Hamm, P (2008). Rotational dynamics of nitrous acid (HONO) in Kr matrix. Journal of Chemical Physics, 129(4):044507.
Cervetto, V; Hamm, P; Helbing, J (2008). Transient 2D-IR spectroscopy of thiopeptide isomerization. Journal of Physical Chemistry. B, 112(28):8398-8405.
Krivov, S V; Muff, S; Caflisch, A; Karplus, M (2008). One-dimensional barrier-preserving free-energy projections of a beta-sheet miniprotein: new insights into the folding process. Journal of Physical Chemistry. B, 112(29):8701-8714.
Mucha, P; Mlostoń, Grzegorz; Jasiński, M; Linden, Anthony; Heimgartner, H (2008). A new approach to enantiomerically pure bis-imidazoles derived from trans-1,2-diaminocyclohexane. Tetrahedron: Asymmetry, 19(13):1600-1607.
Choualeb, A; Maccaroni, E; Blacque, O; Schmalle, H W; Berke, H (2008). Rhenium nitrosyl complexes for hydrogenations and hydrosilylations. Organometallics, 27(14):3474-3481.
Obijalska, E; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, H (2008). Trifluoromethylation of camphorquinone and its monoimine derivatives. Tetrahedron: Asymmetry, 19(14):1676-1683.
Kozinski, M; Garrett-Roe, S; Hamm, P (2008). 2D-IR spectroscopy of the sulfhydryl band of cysteines in the hydrophobic core of proteins. Journal of Physical Chemistry. B, 112(25):7645-7650.
Ramdas, T; Egan, Gregory K; Abramson, D; Baldridge, Kim K (2008). Uniting extrinsic vectorization and shell structure for efficient SIMD evaluation of Electron Repulsion Integrals. Chemical Physics, 349(1-3):147-157.
Frigato, T; VandeVondele, J; Schmidt, B; Schuette, C; Jungwirth, P (2008). Ab initio molecular dynamics simulation of a medium-sized water cluster anion: From an interior to a surface-located excess electron via a delocalized state. Journal of Physical Chemistry. A, 112(27):6125-6133.
Guidon, M; Schiffmann, F; Hutter, J; VandeVondele, J (2008). Ab initio molecular dynamics using hybrid density functionals. Journal of Chemical Physics, 128(21):214104.
Pieniazek, P A; VandeVondele, J; Jungwirth, P; Krylov, A I; Bradforth, S E (2008). Electronic structure of the water dimer cation. Journal of Physical Chemistry. A, 112(27):6159-6170.
Hamm, P (2008). The infrared-driven cis-trans isomerization of nitrous acid HONO III: a mixed quantum–classical simulation. Chemical Physics, 347(1-3):503-513.
Baldridge, K K; Schmidt, M W (2008). Mark S. Gordon. Theoretical Chemistry Accounts, 120(1-3):1-4.
Baldridge, K K; Siegel, J S (2008). Quantum Chemical Prediction of the 13C NMR Shifts in Alkyl and Chlorocorannulenes: Correction of Chlorine Effects. Theoretical Chemistry Accounts, 120(1-3):95-106.
Ramdas, T; Egan, G; Abramson, D; Baldridge, K K (2008). Towards a special-purpose computer for Hartree-Fock computations. Theoretical Chemistry Accounts, 120(1-3):133-153.
Todorova, T; Hünenberger, P H; Hutter, J (2008). Car-Parrinello molecular dynamics simulations of CaCl2 aqueous solutions. Journal of Chemical Theory and Computation, 4(5):779-789.
Cervetto, V; Pfister, R; Helbing, J (2008). Time-resolved infrared spectroscopy of thiopeptide isomerization and hydrogen-bond breaking. Journal of Physical Chemistry. B, 112(11):3540-3544.
Garrett-Roe, S; Hamm, P (2008). Three-point frequency fluctuation correlation functions of the OH stretch in liquid water. Journal of Chemical Physics, 128(10):104507.
Nettels, D; Hoffmann, A; Schuler, B (2008). Unfolded protein and peptide dynamics investigated with single-molecule FRET and correlation spectroscopy from picoseconds to seconds. Journal of Physical Chemistry. B, 112(19):6137-6146.
Ernst, K H (2008). Amplification of chirality in two-dimensional molecular lattices. Current Opinion in Colloid & Interface Science, 13(1-2):54-59.
Sommen, G L; Linden, Anthony; Heimgartner, H (2008). Selenium-containing heterocycles from isoselenocyanates:5-methylselenazole derivatives from the reaction with malononitrile and propargyl chloride. Helvetica Chimica Acta, 91(2):209-219.
Zelder, F H (2008). Specific colorimetric detection of cyanide triggered by a conformational switch in vitamin B12. Inorganic Chemistry, 47(4):1264-1266.
Tooyama, Y; Braband, H; Spingler, B; Abram, U; Alberto, R (2008). High-valent technetium complexes with the [(99)TcO(3)](+) core from in situ prepared mixed anhydrides of [(99)TcO(4)](-) and their reactivities. Inorganic Chemistry, 47(1):257-264.
Landmesser, T; Linden, Anthony; Hansen, H J (2008). A novel route to 1-substituted 3-(dialkylamino)-9-oxo-9H-indeno[2,1-c]pyridine-4-carbonitriles. Helvetica Chimica Acta, 91(2):265-284.
Weber, V; Hutter, J (2008). A smooth l1-norm sparseness function for orbital based linear scaling total energy minimization. Journal of Chemical Physics, 128(6):064107.
Rossinelli, D; Bayati, B; Koumoutsakos, P (2008). Accelerated stochastic and hybrid methods for spatial simulations of reaction-diffusion systems. Chemical Physics Letters, 451(1-3):136 - 140.
Schmidt, J; Hutter, J; Spiess, H W; Sebastiani, D (2008). Beyond Isotropic Tumbling Models: Nuclear Spin Relaxation in Liquids from First Principles. ChemPhysChem, 9(16):2313-2316.
Palomo, C; Oiarbide, M; García, J M; Bañuelos, P; Odriozola, J M; Razkin, J; Linden, Anthony (2008). Catalytic Michael reactions of ketoesters with a camphor-derived acrylate equivalent: stereoselective access to all-carbon quaternary centers. Organic Letters, 10(13):2637-2640.
Vargas, Angelo; Santarossa, Gianluca; Iannuzzi, Marcella; Baiker, Alfons (2008). Chiral Recognition on Catalytic Surfaces: Theoretical Insight in a Biomimetic Heterogeneous Catalytic System. Journal of Physical Chemistry C, 112(27):10200-10208.
Weber, V; VandeVondele, J; Hutter, J; Niklasson, A M N (2008). Direct energy functional minimization under orthogonality constraints. Journal of Chemical Physics, 128(8):084113.
Rodríguez-Fortea, Antonio; Iannuzzi, Marcella (2008). First-Principles Molecular Dynamics Study of the Heterogeneous Reduction of NO2 on Soot Surfaces. Journal of Physical Chemistry C, 112(49):19642-19648.
Wang, G L; Lin, Y J; Blacque, O; Berke, H; Jin, G X (2008). Helical supramolecular assemblies of {2,4,6-[Cp*Rh(E2-1,2-C2B10H10)(NC5H4CH2S)]3(triazine)} (E = S, Se) shaped by Cp*-toluene-Cp* .pi.-stacking forces and BH-pyridine hydrogen bonding. Inorganic Chemistry, (47):2940-2942.
Nonella, M; Seeger, S (2008). Investigating alanine-silica interaction by means of first-principles moleculardynamics simulations. ChemPhysChem, 9(3):414-421.
Santarossa, Gianluca; Vargas, Angelo; Iannuzzi, Marcella; Pignedoli, Carlo A; Passerone, Daniele; Baiker, Alfons (2008). Modeling bulk and surface Pt using the “Gaussian and plane wave” density functional theory formalism: Validation and comparison to k-point plane wave calculations. Journal of Chemical Physics, 129(23):234703.
Bayati, B; Chatelain, P; Koumoutsakos, P (2008). Multiresolution stochastic simulations of reaction-diffusion processes. Physical Chemistry Chemical Physics (PCCP), 10(39):5963-6.
Laino, T; Hutter, J (2008). Notes on "Ewald summation of electrostatic multipole interactions up to quadrupolar level" [J. Chem. Phys. 119, 7471 (2003)]. Journal of Chemical Physics, 129(7):074102.
Rabe, M; Verdes, D; Zimmermann, J; Seeger, S (2008). Surface organization and cooperativity during nonspecific protein adsorption events. Journal of Physical Chemistry. B, 112(44):13971-13980.
Brun, K A; Linden, Anthony; Heimgartner, H (2008). Synthesis and conformational analysis of pentapeptides containing enantiomerically pure 2,2-disubstituted glycines. Helvetica Chimica Acta, 91(3):526-558.
Jasiński, M; Mlostoń, Grzegorz; Linden, Anthony; Heimgartner, H (2008). Synthesis and selected transformations of 1H-imidazole 3-oxides derived from amino acid esters. Helvetica Chimica Acta, 91(10):1916-1933.
Collin, M P; Hobbie, S N; Böttger, E C; Vasella, A (2008). Synthesis of 1,2,3-triazole analogues of lincomycin. Helvetica Chimica Acta, 91(10):1838-1848.
Mlostoń, Grzegorz; Mucha, P; Urbaniak, K; Broda, K; Heimgartner, H (2008). Synthesis of optically active 1-(1-phenylethyl)imidazoles eerived from 1-phenylethylamine. Helvetica Chimica Acta, 91(2):232-238.
Budzowski, A; Linden, Anthony; Heimgartner, H (2008). The azirine/oxazolone approach to the synthesis of Aib-Pro endothiopeptides. Helvetica Chimica Acta, 91(8):1471-1488.
Poater, A; Ragone, F; Giudice, S; Costabile, C; Dorta, R; Nolan, S P; Cavallo, L (2008). Thermodynamics of N-heterocyclic carbene dimerization: The balance of sterics and electronics. Organometallics, 27(12):2679-2681.
Cozzi, F; Annunziata, R; Benaglia, M; Baldridge, K K; Aguirre, G; Estrada, J; Sritana-Anant, Y; Siegel, J S (2008). Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations. Physical Chemistry Chemical Physics (PCCP), 10(19):2686-2694.
Hamm, P; Helbing, J; Bredenbeck, J (2008). Two-dimensional infrared spectroscopy of photoswitchable peptides. Annual Review of Physical Chemistry, 59:291-317.
Mundy, Christopher J; Curioni, Alessandro; Goldman, Nir; Will Kuo, I-F; Reed, Evan J; Fried, Laurence E; Ianuzzi, Marcella (2008). Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression. Journal of Chemical Physics, 128(18):184701.
Iannuzzi, Marcella (2008). X-ray absorption spectra of hexagonal ice and liquid water by all-electron Gaussian and augmented plane wave calculations. Journal of Chemical Physics, 128(20):204506.
Leenders, E J M; VandeVondele, J; Bolhuis, P G; Meijer, E J (2007). Solvation of p-coumaric acid in water. Journal of Physical Chemistry. B, 111(48):13591-13599.
Zobi, F; Blacque, O; Sigel, Roland K O; Alberto, R (2007). Binding Interaction of [Re(H2O)3(CO)3]+ with the DNA Fragment d(CpGpG). Inorganic Chemistry, 46(25):10458-10460.
Erat, M C; Sigel, Roland K O (2007). Determination of the Intrinsic Affinities of Multiple Site-Specific Mg2+Ions Coordinated to Domain 6 of a Group II Intron Ribozyme†. Inorganic Chemistry, 46(26):11224-11234.
Medina-Molner, Alfredo; Blacque, Olivier; Spingler, Bernhard (2007). The synthesis of 1,2-bis(1,5,9-triazacyclododecyl)ethane: A showcase for the importance of the linker length within bis(alkylating) reagents. Organic Letters, 9(23):4829-4831.
VandeVondele, J; Hutter, J (2007). Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases. Journal of Chemical Physics, 127(11):114105.
Campagna, Maurizio; Trzoss, Michael; Bienz, Stefan (2007). More than a protective group: synthesis and applications of a new chiral silane. Organic Letters, 9(19):3793-3796.
Sulpizi, M; Raugei, S; VandeVondele, J; Carloni, P; Sprik, M (2007). Calculation of redox properties: understanding short- and long-range effects in rubredoxin. Journal of Physical Chemistry. B, 111(15):3969-3976.
Iannuzzi, M; Hutter, J (2007). Inner-shell spectroscopy by the Gaussian and augmented plane wave method. Physical Chemistry Chemical Physics (PCCP), 9(13):1599-1610.
Ruiz-Sanchez, Pilar; Mundwiler, Stefan; Medina-Molner, Alfredo; Spingler, Bernhard; Alberto, Roger (2007). Iodination of cisplatin adduct of Vitamin B-12 {B-12}-CN-{cis-PtCl(NH3)(2)}](+). Journal of Organometallic Chemistry, 692(6):1358-1362.
Kromer, Lukas; Spingler, Bernhard; Alberto, Roger (2007). Synthesis and reactivity of ReBr2(NCCH3)(2)(CO)2](-): A new precursor for bioorganometallic chemistry. Journal of Organometallic Chemistry, 692(6):1372-1376.
Costanzo, F; Sulpizi, M; VandeVondele, J; Della Valle, R G; Sprik, M (2007). Ab initio molecular dynamics study of ascorbic acid in aqueous solution. Molecular Physics, 105(1):17-23.
Egli, D H; Linden, Anthony; Heimgartner, H (2007). 1,5-Dipolar electrocyclizations of Thiocarbonyl Ylides bearing C=N groups: Reactions of N-[(Dimethylamino)methylene]thiobenzamide and 2-(Dimethylhydrazono)-1-phenylethane-1-thione with Diazo compounds. Helvetica Chimica Acta, 90(1):86-100.
Mlostoń, Grzegorz; Woźnicka, M; Heimgartner, H (2007). 5-Morpholino-1,2,3,4-thiatriazole as a Sulfur-Transfer reagent in the reactions with Thioketones. Helvetica Chimica Acta, 90(3):594-600.
Rodríguez-Fortea, Antonio; Iannuzzi, Marcella; Parrinello, Michele (2007). Ab Initio Molecular Dynamics Study of Heterogeneous Nitric Acid Decomposition Reactions on Graphite Surfaces. Journal of Physical Chemistry C, 111(5):2251-2258.
Mathur, S; Badertscher, M; Scott, M; Zenobi, R (2007). Critical evaluation of mass spectrometric measurement of dissociation constants: accuracy and cross-validation against surface plasmon resonance and circular dichroism for the calmodulin-melittin system. Physical Chemistry Chemical Physics (PCCP), 9(47):6187-6198.
Salmio, H; Brühwiler, D (2007). Distribution of Amino Groups on a Mesoporous Silica Surface after Submonolayer Deposition of Aminopropylsilanes from an Anhydrous Liquid Phase. Journal of Physical Chemistry C, 111(2):923-929.
Freisinger, Eva; Sigel, Roland K O (2007). From nucleotides to ribozymes — A comparison of their metal ion binding properties. Coordination Chemistry Reviews, 251(13-14):1834-1851.
Müller, Jens; Freisinger, Eva; Lax, Patrick; Megger, Dominik A; Polonius, Fabian-Alexander (2007). Interaction of Pt(II) and Pd(II) complexes of terpyridine with 1-methylazoles: A combined experimental and density functional study. Inorganica Chimica Acta, 360(1):255-263.