Search Results - "Wu, Yun‐Dong"

Mechanistic Insights into Sc(III)‐Catalyzed Asymmetric Homologation of Ketones with Diazo Compounds: How Trans Influence Assists in Controlling Stereochemistry by Huang, Meirong, Wu, Yun‐Dong, Zhang, Xinhao

“…Asymmetric one‐carbon homologation or ring expansion of ketones with formal insertion of carbene intermediate, is a challenging but useful strategy to…”
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Cobalt(III)‐Catalyzed Aerobic Diamination of α‐Alkyl Styrenes with Anilines by Yang, Jinglei, Wu, Yun‐Dong, Pu, Maoping

“…A commercially available cobalt complex Cp*CoIII(CO)I2 has been found to effectively catalyze the diamination of α‐alkyl styrenes with anilines under a mild…”
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Selective Formal Carbene Insertion into Carbon‐Boron Bonds of Diboronates by N‐Trisylhydrazones by Bao, Zhicheng, Huang, Meirong, Xu, Yan, Zhang, Xinhao, Wu, Yun‐Dong, Wang, Jianbo

“…Bisborylalkanes play important roles in organic synthesis as versatile bifunctional reagents. The two boron moieties in these compounds can be selectively…”
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New Mechanistic Insights on the Selectivity of Transition-Metal-Catalyzed Organic Reactions: The Role of Computational Chemistry by Zhang, Xinhao, Chung, Lung Wa, Wu, Yun-Dong

“…With new advances in theoretical methods and increased computational power, applications of computational chemistry are becoming practical and routine in many…”
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Asymmetric Catalytic (2+1) Cycloaddition of Thioketones to Synthesize Tetrasubstituted Thiiranes by Lin, Xiaobin, Pu, Maoping, Sang, Xinpeng, Li, Shiyang, Liu, Xiaohua, Wu, Yun‐Dong, Feng, Xiaoming

“…Herein, we report the first example of enantioselective (2+1) cycloaddition of thioketones with α‐diazo pyrazoleamides for the direct synthesis of…”
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Hybrid Palladium Catalyst Assembled from Chiral Phosphoric Acid and Thioamide for Enantioselective β‐C(sp3)−H Arylation by Jiang, Hua‐Jie, Zhong, Xiu‐Mei, Liu, Zi‐Ye, Geng, Rui‐Long, Li, Yang‐Yang, Wu, Yun‐Dong, Zhang, Xinhao, Gong, Liu‐Zhu

“…A hybrid palladium catalyst assembled from a chiral phosphoric acid (CPA) and thioamide enables a highly efficient and enantioselective β‐C(sp3)−H…”
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Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions by Cheng, Gui-Juan, Zhang, Xinhao, Chung, Lung Wa, Xu, Liping, Wu, Yun-Dong

“…Understanding the mechanisms of chemical reactions, especially catalysis, has been an important and active area of computational organic chemistry, and close…”
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Enantioselective Intermolecular Heck and Reductive Heck Reactions of Aryl Triflates, Mesylates, and Tosylates Catalyzed by Nickel by Huang, Xiaolei, Teng, Shenghan, Chi, Yonggui Robin, Xu, Wenqiang, Pu, Maoping, Wu, Yun‐Dong, Zhou, Jianrong Steve

“…Nickel‐catalyzed intermolecular Heck reaction of cycloalkenes proceeds well with aryl triflates, mesylates and tosylates in excellent enantiomeric ratios. The…”
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Ruthenium‐Catalyzed Geminal Hydroborative Cyclization of Enynes by Tan, Yun‐Xuan, Li, Shijia, Song, Lijuan, Zhang, Xinhao, Wu, Yun‐Dong, Sun, Jianwei

“…Disclosed here is the first geminal (gem‐) hydroborative cyclization of enynes. Different from known hydroborative cyclizations, this process adds hydrogen and…”
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How to strike a conformational balance in protein force fields for molecular dynamics simulations? by Kang, Wei, Jiang, Fan, Wu, Yun‐Dong

“…Molecular dynamics (MD) simulation is a powerful tool for exploring the conformational energy landscape of proteins, and the reliability of MD results is…”
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An In-tether Chiral Center Modulates the Helicity, Cell Permeability, and Target Binding Affinity of a Peptide by Hu, Kuan, Geng, Hao, Zhang, Qingzhou, Liu, Qisong, Xie, Mingsheng, Sun, Chengjie, Li, Wenjun, Lin, Huacan, Jiang, Fan, Wang, Tao, Wu, Yun-Dong, Li, Zigang

“…The addition of a precisely positioned chiral center in the tether of a constrained peptide is reported, yielding two separable peptide diastereomers with…”
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Mechanism of Ni-NHC Catalyzed Hydrogenolysis of Aryl Ethers: Roles of the Excess Base by Xu, Liping, Chung, Lung Wa, Wu, Yun-Dong

“…The transformation of aromatic carbon–oxygen (CAr–O) bonds in lignin to useful chemical building blocks has great potential in biomass conversion. A Ni-NHC…”
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A Combined IM-MS/DFT Study on [Pd(MPAA)]-Catalyzed Enantioselective CH Activation: Relay of Chirality through a Rigid Framework by Cheng, Gui-Juan, Chen, Ping, Sun, Tian-Yu, Zhang, Xinhao, Yu, Jin-Quan, Wu, Yun-Dong

“…A combined ion‐mobility mass spectrometry (IM‐MS) and DFT study has been employed to investigate the mechanism and the origin of selectivity of…”
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Asymmetric Reductive and Alkynylative Heck Bicyclization of Enynes to Access Conformationally Restricted Aza[3.1.0]bicycles by Huang, Xiaolei, Nguyen, Minh Hieu, Pu, Maoping, Zhang, Luoqiang, Chi, Yonggui Robin, Wu, Yun‐Dong, Zhou, Jianrong Steve

“…Conformationally restricted azabicycles are becoming increasingly important in medicinal research. Asymmetric Heck bicyclization of enynes proceeds to give…”
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Role of N‑Acyl Amino Acid Ligands in Pd(II)-Catalyzed Remote C–H Activation of Tethered Arenes by Cheng, Gui-Juan, Yang, Yun-Fang, Liu, Peng, Chen, Ping, Sun, Tian-Yu, Li, Gang, Zhang, Xinhao, Houk, K. N, Yu, Jin-Quan, Wu, Yun-Dong

“…A combined experimental/computational study on the amino acid ligand-assisted Pd-catalyzed C–H bond activation reveals a mechanism in which the amino acid acts…”
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Highly Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes under Mild Conditions by Ding, Shengtao, Song, Li-Juan, Wang, Yong, Zhang, Xinhao, Chung, Lung Wa, Wu, Yun-Dong, Sun, Jianwei

“…A general and mild hydrosilylation of thioalkynes is described. With the cationic catalyst [Cp*Ru(MeCN)3]+ and the bulky silane (TMSO)3SiH, a range of…”
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Residue-Specific Force Field Based on the Protein Coil Library. RSFF1: Modification of OPLS-AA/L by Jiang, Fan, Zhou, Chen-Yang, Wu, Yun-Dong

“…Traditional protein force fields use one set of parameters for most of the 20 amino acids (AAs), allowing transferability of the parameters. However, a…”
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Mechanism, Reactivity, and Selectivity in Palladium-Catalyzed Redox-Relay Heck Arylations of Alkenyl Alcohols by Xu, Liping, Hilton, Margaret J, Zhang, Xinhao, Norrby, Per-Ola, Wu, Yun-Dong, Sigman, Matthew S, Wiest, Olaf

“…The enantioselective Pd-catalyzed redox-relay Heck arylation of acyclic alkenyl alcohols allows access to various useful chiral building blocks from simple…”
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Protein dynamics and structural waters in bromodomains by Zhang, Xiaoxiao, Chen, Kai, Wu, Yun-Dong, Wiest, Olaf

“…Bromodomains are epigenetic readers of acetylated lysines that are integral parts of histone tails. The 61 bromodomains in humans are structurally highly…”
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Mechanistic Study on Cu(II)-Catalyzed Oxidative Cross-Coupling Reaction between Arenes and Boronic Acids under Aerobic Conditions by Zhang, Qian, Liu, Yang, Wang, Ting, Zhang, Xinhao, Long, Chao, Wu, Yun-Dong, Wang, Mei-Xiang

“…Substantial attention has been given to modern organocopper chemistry in recent years since copper salts are naturally abundant, cheap, and less toxic in…”
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