Gao, Yuan Wang, Zhijun Zhang, Xinyu Zhao, Min Zhang, Shuai Wang, Chao Xu, Liang Li, Pengfei
Published in
Angewandte Chemie (International ed. in English)
Chiral amines are broadly used compounds in pharmaceutical industry and organic synthesis, and reductive amination reactions have been the most appreciated methods for their syntheses. However, one-step transfer hydrogenative direct asymmetric reductive amination (THDARA) that could expand the scope, simplify the operation and eliminate the use of ...
Plett, Christoph Grimme, Stefan
Published in
Angewandte Chemie (International ed. in English)
Modeling intermolecular interactions of complex non-covalent structures is important in many areas of chemistry. To facilitate the generation of reasonable dimer, oligomer, and general aggregate geometries, we introduce an automated computational interaction site screening (aISS) workflow. This easy-to-use tool combines a genetic algorithm employin...
Plais, Romain
Les anions sont présents dans de nombreux domaines tels que la biologie, la médecine, la catalyse ou encore l’environnement. Par exemple, l’anion chlorure joue un rôle important dans les canalopathies telles que la mucoviscidose. Dès lors, la conception de nouveaux récepteurs d’anions est un défi en chimie organique moderne. L'élaboration de telles...
Raghunath, Azhwar Nagarajan, Raju Sundarraj, Kiruthika Palanisamy, Kavipriya Perumal, Ekambaram
Published in
Basic & Clinical Pharmacology & Toxicology
The Keap1-Nrf2-ARE system serves as a premier defence mechanism to curb oxidative stress, which remains as one of the major causes of ageing and pathogenesis in various diseases. Nrf2 is the principal master regulator of the cellular defence system, and its activation remains the prospective therapeutic approach against chronic diseases. One of the...
Přenosil, Ondřej Pitoňák, Michal Sedlák, Robert Kabeláč, Martin Hobza, Pavel
Published in
Zeitschrift für Physikalische Chemie
The cooperativity effects have been evaluated on three model systems, the formamide, (formylamino)acetamide and amyloidic-layer oligomers with an increasing size of the monomer units (6, 13 and 214 atoms). In the last model, each layer is a dimer of the amino-acid sequence GNNQQNY in one-letter amino-acid abbreviations. The series of oligomers for ...
Li, Xiao-Zeng Liu, Bao-Lin He, Juen-Hong Liao, Dai-Zheng
Published in
Zeitschrift für Naturforschung B
A new trinuclear complex [Co(NiL)2(H2O)2](ClO4)2 was synthesized by using a macrocyclic complex ligand [NiL], where L is the dianion of diethyl-5,6,7,8,16,17-hexahydro-6,7-dioxo-16Hdibenzo[ e,n] [1,4,8,12]tetraazacyclopentadecine-13,19-dicarboxylate. X-ray analysis revealed that the two Ni(II) ions have the same distorted N4 square planar coordinat...