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作品数:1132被引量:1374H指数:10
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相关领域:理学更多>>
相关作者:滕怀龙祝诗发陈自立姚小泉石先莹更多>>
相关机构:中国科学院南开大学郑州大学武汉大学更多>>
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相关基金:国家自然科学基金国家重点基础研究发展计划中国博士后科学基金国家教育部博士点基金更多>>
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A Machine Learning Model for Predicting Enantioselectivity in Hypervalent Iodine(III)Catalyzed Asymmetric Phenolic Dearomatizations
《CCS Chemistry》2024年第10期2515-2528,共14页Ben Gao Liu Cai Yuchen Zhang Huaihai Huang Yao Li Xiao-Song Xue 
supported by the Ministry of Science and Technology of China(grant no.2021YFF0701700);the National Natural Science Foundation of China(grant nos.22122104,22193012,and 21933004);the CAS Project for Young Scientists in Basic Research(grant nos.YSBR-052 and YSBR-095);the Strategic Priority Research Program of the Chinese Academy of Sciences(grant no.XDB0590000).
Catalytic asymmetric dearomatization(CADA)of phenols has emerged as a powerful strategy for constructing stereochemically complicated architectures from planar aromatic feedstocks.However,the development of novel cata...
关键词:machine learning chiral hypervalent iodine CATALYSIS DEAROMATIZATION ENANTIOSELECTIVITY 
Selective Alkane Desaturation Catalyzed by Molecular Cage Copper Complexes Under Mild Conditions
《CCS Chemistry》2024年第8期1876-1884,共9页Hao Sun Xue-Yuan Wang Xu-Dong Wang Yu-Fei Ao De-Xian Wang Qi-Qiang Wang 
the National Key R&D Program of China(grant no.2021YFA1501600);the National Natural Science Foundation of China(grant nos.22022112 and 21521002).
Catalytic oxidative alkane desaturation by base metals with benign oxidants under mild conditions is highly attractive,as it could enable an efficient way to produce valuable olefin products.Here we report the design ...
关键词:supramolecular catalysis macrocycles molecular cages PHENANTHROLINE alkane desaturation 
Asymmetric NiH-Catalyzed Regioselective Hydroalkynylation of Unactivated Alkenes
《CCS Chemistry》2024年第8期1929-1940,共12页Mengyuan Liu Haoran Shi Xiao Meng Rui He Jie Huang Jiaxin Wang Jun Lv Chao Wang 
supported by the National Natural Science Foundation of China(grant no.21901185);funds provided by Tianjin Normal University,China.
Herein,we disclose a ligand-controlled,directing group-assisted strategy to facilitate NiH-catalyzed hydroalkynylation of allyl amides at remoteα-position adjacent to nitrogen and initial olefinic site in a predictab...
关键词:asymmetric catalysis hydroalkynylation regiodivergent chain-walking nickel catalysis 
Enhanced Sampling Simulations on Transition-Metal-Catalyzed Organic Reactions:Zirconocene-Catalyzed Propylene Polymerization and Sharpless Epoxidation
《CCS Chemistry》2024年第4期964-975,共12页Xu Han Tian-Yu Sun Yi Isaac Yang Jun Zhang Jing Qiu Zhaoping Xiong Nan Qiao Yun-Dong Wu Yi Qin Gao 
supported by National Natural Science Foundation of China(grant nos.21927901,21821004,and 21873007 to Y.Q.G.,grant no.21933004 to Y.D.W.,grant nos.22273061 and 22003042 to Y.I.Y.);the Key-Area Research and Development Program of Guangdong Province(grant no.2020B0101350001 to Y.D.W.).
The bond breaking and forming in chemical reactions is a typical rare event,which is one of the difficult problems in molecular dynamics simulations.Numerous enhanced sampling methods have been developed to extend the...
关键词:molecular dynamics enhanced sampling METADYNAMICS integrated tempering sampling propylene polymerization Sharpless epoxidation 
Recent Advances in Mn,Fe,Co,and Ni-Catalyzed Organic Reactions被引量:2
《CCS Chemistry》2024年第3期537-584,共48页Lu-Jie Li Yuli He Yunhui Yang Jun Guo Zhan Lu Congyang Wang Shaolin Zhu Shou-Fei Zhu 
the National Key R&D Program of China(grant no.2021YFA1500200);the National Natural Science Foundation of China(grant nos.92256301,22221002,22025109,21831008,22101286,and 22271249);the Fundamental Research Funds for the Central Universities(grant nos.226-2022-00224 and 226-2023-00115)for financial support.
This paper reviewed the recent research progress of organic reactions catalyzed by four typical earthabundant and 3d metal catalysts:Mn,Fe,Co,and Ni complexes and mainly focused on the reactions in which these 3d meta...
关键词:Earth-abundant metal catalysts sustainable organic synthesis structure-function relationships organometallic intermediates hydrocarbon transformations 
Highly Stereoselective Synthesis of 2-Azido-2-Deoxyglycosides via Gold-Catalyzed S_(N)2 Glycosylation被引量:1
《CCS Chemistry》2023年第12期2799-2807,共9页Yongliang Zhang Xu Ma Liming Zhang 
the National Institutes of Health(grant nos.U01GM125289 and R35GM139640)for financial support;the National Science Foundation(grant no.MRI-1920299)for the acquisition of two Bruker NMR instruments.
Highly stereoselective synthesis of 2-azido-2-deoxyglucosides and 2-azido-2-deoxygalactosides is achieved via a gold-catalyzed S_(N)2 glycosylation.The glycosyl donors feature a designed 1-naphthoate leaving group con...
关键词:aminosugar GLYCOSYLATION 1 2-cis-glycosidic linkage gold catalysis directing group 
Molecular Insights into the Structure-Activity Relationship in Cobalt Porphyrin Catalyzed Oxygen Reduction Reaction被引量:1
《CCS Chemistry》2023年第11期2628-2637,共10页Xiang Wang Ya-Chen Feng Yu-Qi Wang Zhen-Yu Yi Jun-Jie Duan Hui-Juan Yan Dong Wang Li-Jun Wan 
supported by the National Key R&D Program of China(grant no.2021YFA1501002);the National Natural Science Foundation of China(grant nos.22132007,21972147,21725306);the Key Research Program of the Chinese Academy of Sciences(grant no.XDPB01);the National Postdoctoral Program for Innovative Talents(grant no.BX20220307)of the Chinese Postdoctoral Science Foundation.
We present a microscopic investigation on the structure-activity relationship of the Co-N4 site in the oxygen reduction reaction(ORR)by electrochemical scanning tunneling microscopy(ECSTM)at the molecular scale.The co...
关键词:cobalt porphyrin oxygen reduction reaction electrochemical scanning tunneling microscope structure-activity relationship model catalyst 
Chiral Lewis Acid-Catalyzed Norrish Type II Cyclization to Synthesizeα-Oxazolidinones via Enantioselective Protonation被引量:1
《CCS Chemistry》2023年第9期2101-2110,共10页Tangyu Zhan Liangkun Yang Qiyou Chen Rui Weng Xiaohua Liu Xiaoming Feng 
the financial support of the National Natural Science Foundation(grant no.22188101);the Science and Technology Department of Sichuan Province(grant no.2021YJ0561);Sichuan University(grant no.2020SCUNL204)for financial support.
The Norrish type II reaction is an interesting photochemical process through Csp3-H functionalization of N,N-disubstituted oxo-amine or oxo-amide provides access to diverse synthetic building blocks by different pathw...
关键词:asymmetric catalysis Norrish type II reaction enantioselective protonation PHOTOCATALYSIS α-oxazolidinones 
Remote Stereocontrol of All-Carbon Quaternary Centers via Cobalt-Catalyzed Asymmetric Olefin Isomerization被引量:2
《CCS Chemistry》2023年第6期1293-1300,共8页Xianle Rong Jie Yang Shihan Liu Yu Lan Qiang Liu 
We gratefully acknowledge funding from the National Key R&D Program of China(grant no.2021YFF0701600);the National Natural Science Foundation of China(grant nos.22171159 and 22225103).
Asymmetric olefin isomerization has become a powerful tool for positional migration of C=C double bonds to afford valuable chiral olefins.However,the synthesis of optically active all-carbon quaternary stereocenters v...
关键词:olefin isomerization remote stereocontrol all-carbon quaternary stereocenter cobalt catalysis chiral cyclohexene 
Enantioselective Synthesis ofα-Alkenylatedγ-Lactam Enabled by Ni-Catalyzed 1,4-Arylcarbamoylation of 1,3-Dienes被引量:2
《CCS Chemistry》2023年第2期341-349,共9页Feng He Liting Hou Xianqing Wu Haojie Ding Jingping Qu Yifeng Chen 
supported by National Natural Science Foundation of China(grant no.22171079);the Natural Science Foundation of Shanghai(grant no.21ZR1480400);the Shanghai Rising-Star Program(grant no.20QA1402300);the Shanghai Municipal Science and Technology Major Project(grant no.2018SHZDZX03);the Program of Introducing Talents of Discipline to Universities(grant no.B16017);the Fundamental Research Funds for the Central Universities and the China Postdoctoral Science Foundation(grant no.2021M701197).
The facile construction of chiral quaternaryα-alkenylated pyrrolidinones is a long-term challenge in organic synthesis.The asymmetric difunctionalization of 1,3-dienes represents the most compelling tool for assembli...
关键词:LACTAM NICKEL 1 3-diene enantioselective dicarbofunctionalization quaternary stereogenic center 
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