Yanlong Kang

DFT study of manganese complex-catalyzed alcohol cross-coupling reactions

Junjie Xiao, Lina Geng, Yanlong Kang, Yan Li et autres

Reaction mechanisms of the Mn-catalyzed cross-coupling reaction of 2-aminobenzyl alcohol with 2-phenylethanol.

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Mechanisms and regio- and stereoselectivities in NHC-catalyzed [3+3] annulations for the synthesis of axially and centrally chiral dihydropyridinones

Yanlong Kang, Mingchao Zhang, Yan Li, Zhiqiang Zhang

-configuration product, consistent with the experimental results. The calculated enantiomeric excess value of 89.3% aligns well with experimental observations (90% ee). Noncovalent interaction (NCI) analysis revealed that the stability of the key stereoselective transition state can be traced to LP⋯π, C-H⋯O and …

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Mechanism and Origins of Regio- and Stereoselectivities of NHC-Catalyzed Dearomative Annulation of Benzoazoles and Cinnamaldehydes from DFT

Yan Li, Yanlong Kang, Junjie Xiao, Zhiqiang Zhang

A theoretical study on the mechanism, regioselectivity, and enantioselectivity of NHC-catalyzed dearomatizing annulation of benzoxazoles with enals has been conducted using density functional theory calculations. Our calculated results indicate that the favored mechanism occurs through eight reaction steps: initial binding of the …

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Mechanism, regioselectivity and stereoselectivity of NHC-catalyzed [12+2] annulation of 5 H -benzo[ a ]-pyrrolizine-3-carbaldehydes and cyclic sulfonic imines: a DFT study

Yanlong Kang, Yan Li, Zhiqiang Zhang

Reaction mechanisms and origins of regio- and stereoselectivities of NHC-catalyzed [12+2] annulation of 5 H -benzo[ a ]-pyrrolizine-3-carbaldehydes and cyclic sulfonic imines.

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A DFT Study on the NHC-Catalyzed Reaction of Enals with Aminoacrylates: Mechanism, Regioselectivity, and Stereoselectivity

Yan Li, Junjie Xiao, Yanlong Kang, Zhiqiang Zhang

DFT (M06-2X) calculations were used to study the NHC-catalyzed [3 + 3] cycloaddition of enals with aminoacrylates. The catalytic cycle begins with the binding of the NHC to enal. Subsequent intramolecular proton transfer generates the Breslow intermediate. This intermediate undergoes an oxidative …

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Mechanism, Chemoselectivity, and Stereoselectivity of an NHC-Catalyzed Reaction of Aldehydes and Hydrazones: A DFT Study

Yan Li, Yanlong Kang, Junjie Xiao, Zhiqiang Zhang

To elucidate the mechanism and origins of chemo- and enantioselectivities of the reaction between aliphatic aldehydes and hydrazones catalyzed by triazolium-derived NHC, density functional theory computations have been performed. According to our calculated results, the whole catalytic cycle for the formation of …

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Mechanisms, regio- and stereoselectivities involved in NHC catalyzed dearomatizing annulation of ester with ylide: A computational study

Yan Li, Junjie Xiao, Yanlong Kang, Zhiqiang Zhang

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Mechanisms, Regio- And Stereoselectivities Involved In Nhc-Catalyzed Dearomatizing Annulation Of Ester With Ylide: A Computational Study

Yan Li, Junjie Xiao, Yanlong Kang, Zhiqiang Zhang

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Systems-level analyses of protein-protein interaction network dysfunctions via epichaperomics identify cancer-specific mechanisms of stress adaptation

Anna Rodina, Chao Xu, Chander Singh Digwal, Suhasini Joshi et autres

Systems-level assessments of protein-protein interaction (PPI) network dysfunctions are currently out-of-reach because approaches enabling proteome-wide identification, analysis, and modulation of context-specific PPI changes in native (unengineered) cells and tissues are lacking. Herein, we take advantage of chemical binders of maladaptive scaffolding structures …

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Copper mediated coupling of 2-(piperazine)-pyrimidine iodides with aryl thiols using Cu(I)thiophene-2-carboxylate

Liza Shrestha, Hardik J. Patel, Yanlong Kang, Sahil Sharma et autres

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Abstract 5444: Development of a noninvasive assay to determine drug concentration in tumor during hsp90 inhibitor therapy

Tony Taldone, Nagavarakishore Pillarsetty, Mark P. Dunphy, John F. Gerecitano et autres

Abstract As molecularly targeted agents assume a more prominent role in anticancer therapy there is a growing need to determine in a noninvasive manner whether the target is being engaged and to what extent such drug-target binding results in desirable effects. We …

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Abstract 1733: Development of chemical tools to study the endogenous Hsp70 interactome in malignant cells

Anna Rodina, Tony Taldone, Yanlong Kang, Pallav D. Patel et autres

Abstract Background: Heat shock protein 70 family members play an important role in cancer. They are up-regulated in wide variety of tumors and the increased Hsp70 protein expression correlates with metastases, resistance to treatment and poor prognosis. Multiple mechanisms explain cancer cells …

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