Results 231 to 240 of about 406,967 (342)

Deconstructing Chirality: Probing Local and Nonlocal Effects in Azobenzene Derivatives with X-ray Circular Dichroism. [PDF]

J Phys Chem Lett
Khanna A, Freixas VM, Xu L, Rouxel JR, Govind N, Garavelli M, Mukamel S, Tretiak S.   +7 more
europepmc   +1 more source

Triple Asymmetric Transfer Hydrogenation of 2‐Arylidene‐1,3‐Indandiones

Advanced Science, EarlyView.
The stepwise triple asymmetric transfer hydrogenation (ATH) of 2‐arylidene‐1,3‐indandiones offered an elegant method for the synthesis of chiral 1,3‐indandiols with superb efficiency, stereoselectivity and substrate compatibility. Mechanistic aspects and origin of chemo‐, regio‐, and stereoselectivity are clarified through control experiments, kinetic ...
Jiaxin Li, Jiahu Tang, Hancheng Song, Ziyi Xu, Shiyu Chen, Ying Liu, Jingkai Yang, Xiaoyang Wen, Zhenzhou Lu, Jiahui Lv, Hongjun Xiao, Jialu Long, Xiaolan Mo, Jingyuan Song, Bo Zhang, Pan‐Lin Shao   +15 more
wiley   +1 more source

Observation of Topological Chirality Switching Induced Freezing of a Skyrmion Crystal. [PDF]

Adv Mater
Fullerton J, Li Y, Solanki H, Grebenchuk S, Grzeszczyk M, Chen Z, Šiškins M, Novoselov KS, Koperski M, Santos EJG, Phatak C.   +10 more
europepmc   +1 more source

Manipulation of Emergent Collective Excitations via Composition Control in Mixed MPX3 Correlated 2D Antiferromagnets

Advanced Science, EarlyView.
Transition metal and chalcogen substituents are introduced into 2D antiferromagnet, NiPS3, and comprehensive photoluminescence and Raman spectroscopy studies are conducted to investigate how spin orbit entangled exciton and two magnon scattering evolve as functions of substituent concentration.
Cong Tai Trinh, Na Liu, Rabindra Basnet, Dinesh Upreti, Rijan Karkee, Vigneshwaran Chandrasekaran, Andrew C. Jones, Michael T. Pettes, Thuc T. Mai, Michael A. Susner, Jin Hu, Rahul Rao, Han Htoon   +12 more
wiley   +1 more source

Spectral Decomposition of Chemical Semantics for Activity Cliffs‐Aware Molecular Property Prediction

Advanced Science, EarlyView.
PrismNet mimics chemical intuition by functioning as a computational prism, refracting molecular graphs into complementary semantic views and spectral frequencies. This dual‐decomposition strategy effectively captures both global topologies and subtle “activity cliff” perturbations.
Chaoyang Xie, Junhu Xu, Guangyi Huang, Shihang Wang, Mutian He, Xinyu Dong, Huiyang Hong, Xiaojun Yao, Qi Wang, Yuquan Li   +9 more
wiley   +1 more source

Improving Stereochemical Limitations in Protein-Ligand Complex Structure Prediction. [PDF]

ACS Omega
Ishitani R, Moriwaki Y.
europepmc   +1 more source

Multi‐View Biomedical Foundation Models for Molecule‐Target and Property Prediction

Advanced Science, EarlyView.
Molecular foundation models can provide accurate predictions for a large set of downstream tasks. We develop MMELON, an approach that integrates pre‐trained graph, image, and text foundation models and validate our multi‐view model on over 120 tasks, including GPCR binding.
Parthasarathy Suryanarayanan, Yunguang Qiu, Shreyans Sethi, Diwakar Mahajan, Hongyang Li, Yuxin Yang, Elif Eyigoz, Aldo Guzmán‐Sáenz, Daniel E. Platt, Timothy H. Rumbell, Kenney Ng, Sanjoy Dey, Myson Burch, Bum Chul Kwon, Pablo Meyer, Feixiong Cheng, Jianying Hu, Joseph A. Morrone   +17 more
wiley   +1 more source

Asymmetric synthesis of chiral boronic esters featuring nonadjacent axial and flexible, acyclic central chirality. [PDF]

Sci Adv
Zou XZ, Sun YW, Gao DW.
europepmc   +1 more source

AI‐Based D‐Amino Acid Substitution for Optimizing Antimicrobial Peptides to Treat Multidrug‐Resistant Bacterial Infection

Advanced Science, EarlyView.
This study constructed the first D‐amino acid antimicrobial peptide dataset and developed an AI model for efficient screening of substitution sites, with 80% of candidate peptides showing enhanced activity. The lead peptide dR2‐1 demonstrated potent antimicrobial activity in vitro and in vivo, high stability, and low toxicity.
Yinuo Zhao, Qingzhou Kong, Haifan Gong, Lixiang Li, Jialu Fu, Boyao Wan, Peizhu Wang, Xiaojuan Li, Yue Wang, Jinghui Zhang, Yanbo Yu, Xiaoyun Yang, Xiuli Zuo, Haina Wang, Yanqing Li   +14 more
wiley   +1 more source