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Articles by Yong Nian
Predicting the Color Polymorphism of ROY from a Time-Dependent Optimally Tuned Screened Range-Separated Hybrid Functional
Special Issue Published as part of Journal of Chemical Theory and Computation virtual special issue “First-Principles Simulations of Molecular Optoelectronic Materials: Elementary Excitations and Spatiotemporal Dynamics”. Molecular crystals are solids comprising a periodic lattice of molecules, bound together by weak interactions, typically van der Waals and/or hydrogen-bond ones.
Discovery and Mechanistic Understanding of a Lipase from Rhizorhabdus dicambivorans for Efficient Ester Aminolysis in Aromatic Amines
Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
Rhodium-Catalyzed Diastereoselective C-H Activation/[4 + 2] Annulation of α,β-Unsaturated Amides with Bicyclic Alkenes
CCDC 2282006 and 2304353 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/data_request/cif, or by emailing data_request@ccdc.cam.ac.uk, or by contacting The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; fax: +44 1223 336033. Terms & Conditions Most electronic Supporting Information files are available without a subscription to ACS Web Editions.
α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment
Note This article is made available for a limited time sponsored by ACS under the ACS Free to Read License, which permits copying and redistribution of the article for non-commercial scholarly purposes.
α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment
The main protease of coronaviruses and the 3C protease of enteroviruses share a similar active-site architecture and a unique requirement for glutamine in the P1 position of the substrate. Because of their unique specificity and essential role in viral polyprotein processing, these proteases are suitable targets for the development of antiviral drugs.
Analysis of crystallographic structures of Ni(II) complexes of α-amino acid Schiff bases; Elucidation of the substituents effect on stereochemical preferences - Dalton Transactions (RSC Publishing)
In this study, we performed critical analysis of the 13 crystallographic structures of various Ni(II) complexes of amino acid Schiff bases. The major finding of this work is the significance of a parallel displaced type of aromatic interactions between the o-amino-benzophenone and the Pro N-benzyl rings.
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