Shuo-Qing相关文献与解析，生知库 | 链接生命科学的每一步

Larger Substituents Enhance Stereospecificity in 1,1-Diazene Nitrogen Extrusion through Attenuation of Dynamic Mismatching

较大的取代基通过减弱动态错配来增强1,1-二氮烯脱氮反应的立体选择性

期刊:JACS Au

影响因子:8.7

doi:10.1021/jacsau.5c01603

Wu, Rong-Kai; Zhang, Shuo-Qing; Hong, Xin

发表日期：2026

文献求助收藏

Unveiling mechanistic patterns of copper-catalyzed radical bond formation through linear free energy relationship

通过线性自由能关系揭示铜催化自由基键形成的机理模式

期刊:Nature Communications

影响因子:15.7

doi:10.1038/s41467-025-67770-w

Xu, Guo-Xiong; Liu, Ji-Ren; Gao, Zeng; Tang, Miao-Jiong; Sun, Yi-Zhou; Li, Zhong-Liang; Liu, Xin-Yuan; Zhang, Shuo-Qing; Hong, Xin

发表日期：2025

文献求助收藏

Transfer Learning-Enabled Ligand Prediction for Ni-Catalyzed Atroposelective Suzuki-Miyaura Cross-Coupling Based on Mechanistic Similarity: Leveraging Pd Knowledge for Ni Discovery

基于机理相似性的迁移学习辅助的镍催化非对映选择性Suzuki-Miyaura交叉偶联配体预测：利用钯的知识进行镍的发现

期刊:Journal of the American Chemical Society

影响因子:15.6

doi:10.1021/jacs.5c00838

Xu, Xin-Yuan; Liu, Li-Gao; Xu, Li-Cheng; Zhang, Shuo-Qing; Hong, Xin

发表日期：2025

文献求助收藏

QM9star, two Million DFT-computed Equilibrium Structures for Ions and Radicals with Atomic Information

QM9star，包含两百万个基于DFT计算的离子和自由基平衡结构及原子信息

期刊:Scientific Data

影响因子:6.9

doi:10.1038/s41597-024-03933-6

Tang, Miao-Jiong; Zhu, Tian-Cheng; Zhang, Shuo-Qing; Hong, Xin

发表日期：2024

文献求助收藏

Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge

基于化学知识的外推可解释图模型对反应性能进行预测

期刊:Nature Communications

影响因子:15.7

doi:10.1038/s41467-023-39283-x

Li, Shu-Wen; Xu, Li-Cheng; Zhang, Cheng; Zhang, Shuo-Qing; Hong, Xin

发表日期：2023

文献求助收藏

Data-driven design of new chiral carboxylic acid for construction of indoles with C-central and C-N axial chirality via cobalt catalysis

利用钴催化，通过数据驱动设计新型手性羧酸，用于构建具有C中心手性和CN轴向手性的吲哚类化合物

期刊:Nature Communications

影响因子:15.7

doi:10.1038/s41467-023-38872-0

Zhang, Zi-Jing; Li, Shu-Wen; Oliveira, João C A; Li, Yanjun; Chen, Xinran; Zhang, Shuo-Qing; Xu, Li-Cheng; Rogge, Torben; Hong, Xin; Ackermann, Lutz

发表日期：2023

文献求助收藏

Unsymmetric N-heterocyclic carbene ligand enabled nickel-catalysed arylation of bulky primary and secondary amines

不对称的N-杂环卡宾配体能够实现镍催化的大体积伯胺和仲胺的芳基化反应

期刊:Chemical Science

影响因子:7.4

doi:10.1039/d3sc00492a

Wang, Zi-Chao; Li, Yan-Yu; Zhang, Shuo-Qing; Hong, Xin; Shi, Shi-Liang

发表日期：2023

文献求助收藏

Detection of Antibiotic Resistance in Feline-Origin ESBL Escherichia coli from Different Areas of China and the Resistance Elimination of Garlic Oil to Cefquinome on ESBL E. coli

检测中国不同地区猫源性ESBL大肠杆菌的抗生素耐药性及大蒜油对ESBL大肠杆菌头孢喹诺酮耐药性的消除作用

期刊:International Journal of Molecular Sciences

影响因子:4.9

doi:10.3390/ijms24119627

Tong, Yin-Chao; Li, Peng-Cheng; Yang, Yang; Lin, Qing-Yi; Liu, Jin-Tong; Gao, Yi-Nuo; Zhang, Yi-Ning; Jin, Shuo; Qing, Su-Zhu; Xing, Fu-Shan; Fan, Yun-Peng; Liu, Ying-Qiu; Wang, Wei-Ling; Zhang, Wei-Min; Ma, Wu-Ren

Feline

发表日期：2023

文献求助收藏

Bridging Chemical Knowledge and Machine Learning for Performance Prediction of Organic Synthesis

将化学知识与机器学习相结合，用于有机合成性能预测

期刊:Chemistry-A European Journal

影响因子:3.7

doi:10.1002/chem.202202834

Zhang, Shuo-Qing; Xu, Li-Cheng; Li, Shu-Wen; Oliveira, João C A; Li, Xin; Ackermann, Lutz; Hong, Xin

发表日期：2023

文献求助收藏

Staged Diversity-Constrained Machine Learning for High-Dimensional Reaction Condition Optimization

面向高维反应条件优化的分阶段多样性约束机器学习

Larger Substituents Enhance Stereospecificity in 1,1-Diazene Nitrogen Extrusion through Attenuation of Dynamic Mismatching

较大的取代基通过减弱动态错配来增强1,1-二氮烯脱氮反应的立体选择性

Unveiling mechanistic patterns of copper-catalyzed radical bond formation through linear free energy relationship

通过线性自由能关系揭示铜催化自由基键形成的机理模式

Transfer Learning-Enabled Ligand Prediction for Ni-Catalyzed Atroposelective Suzuki-Miyaura Cross-Coupling Based on Mechanistic Similarity: Leveraging Pd Knowledge for Ni Discovery

基于机理相似性的迁移学习辅助的镍催化非对映选择性Suzuki-Miyaura交叉偶联配体预测：利用钯的知识进行镍的发现

QM9star, two Million DFT-computed Equilibrium Structures for Ions and Radicals with Atomic Information

QM9star，包含两百万个基于DFT计算的离子和自由基平衡结构及原子信息

Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge

基于化学知识的外推可解释图模型对反应性能进行预测

Data-driven design of new chiral carboxylic acid for construction of indoles with C-central and C-N axial chirality via cobalt catalysis

利用钴催化，通过数据驱动设计新型手性羧酸，用于构建具有C中心手性和CN轴向手性的吲哚类化合物

Unsymmetric N-heterocyclic carbene ligand enabled nickel-catalysed arylation of bulky primary and secondary amines

不对称的N-杂环卡宾配体能够实现镍催化的大体积伯胺和仲胺的芳基化反应

Detection of Antibiotic Resistance in Feline-Origin ESBL Escherichia coli from Different Areas of China and the Resistance Elimination of Garlic Oil to Cefquinome on ESBL E. coli

检测中国不同地区猫源性ESBL大肠杆菌的抗生素耐药性及大蒜油对ESBL大肠杆菌头孢喹诺酮耐药性的消除作用

Bridging Chemical Knowledge and Machine Learning for Performance Prediction of Organic Synthesis

将化学知识与机器学习相结合，用于有机合成性能预测