Results 141 to 150 of about 9,469,736 (295)

Substituent Effect in the First Excited Triplet State of Monosubstituted Benzenes. [PDF]

ACS Omega, 2020
Dobrowolski JC, Karpińska G.
europepmc   +1 more source

Drought Stress Mediated Changes in Food Crops: Mechanisms and Remediation Strategies

Advanced Science, EarlyView.
This work presents a multi‐scale framework for flavonoid‐mediated drought tolerance in staple food crops, integrating ROS redox regulation, antioxidant defense, rhizosphere microbial interactions, and sustainable agronomic practices. This interdisciplinary model provides core insights to develop climate‐resilient cropping systems and enhance global ...
Xiaoyi Duan, Litao Wang, Tuuli‐Marjaana Koski, Lizhe An, Thomas Efferth, Yujie Fu   +5 more
wiley   +1 more source

Enantioselective Access to Trifluoromethylated Spirocyclopropyl Heterocycles

Advanced Science, EarlyView.
We report a rhodium‐catalyzed asymmetric [2+1] spirocyclopropanation of methylene azacycles with trifluoromethyl carbenes in situ derived from fluoroalkyl triftosylhydrazones. ABSTRACT Chiral spirocyclopropyl heterocycles have emerged as privileged three‐dimensional structural motifs in medicinal chemistry.
Yuanhao Zhu, Youzhi Xu, Weitao Zhang, Yongyue Ning, Yaojia Jiang, Yongquan Ning, Genping Huang, Jiawei Cheng, Paramasivam Sivaguru, Xihe Bi   +9 more
wiley   +1 more source

Substituent effect on inter-ring interaction in paracyclophanes. [PDF]

Mol Divers, 2020
Majerz I, Dziembowska T.
europepmc   +1 more source

Origin of Enhanced Efficiency and Reduced Roll‐Off in Organic Light‐Emitting Diodes Based on Pt(II) Complexes

Advanced Science, EarlyView.
Controlled Pt–Pt fine structure in square‐planar Pt(II) complexes governs metal–metal‐to‐ligand charge‐transfer (MMLCT) state formation, exciton dynamics, and organic light‐emitting diode performance. Short Pt–Pt contacts in Pt(fppz)2 enable coherent metal–metal coupling, sub‐microsecond emission and an external quantum efficiency of 29%, whereas ...
Atul Shukla, Sarah K. M. McGregor, Julian A. Steele, Innes K. Gale, Kiyoshi Miyata, Monirul Hassan, Christian McDonald, Romain J. Lepage, Eduardo Solano, Pilankatta K. Ramya, Cherumuttathu H. Suresh, Takumi Ehara, Chihaya Adachi, Ken Onda, Shih‐Chun Lo, Ebinazar B. Namdas   +15 more
wiley   +1 more source

Dual Nickel/Photoredox‐Catalyzed Regio‐ and Enantioselective Alkenylation of Epoxides

Advanced Science, EarlyView.
Ni/photoredox‐catalyzed stereoconvergent cross‐electrophile coupling of racemic epoxides with alkenyl bromides is described, affording β‐alkenyl products with up to 95% ee, excellent E‐selectivity, and complete regiocontrol. These versatile intermediates enable diverse chiral synthons; mechanistic studies suggest a halide ring‐opening followed by ...
Hongyan Lan, Shengzhou Jin, Zhao‐Dong Xu, Guigen Li, Dingyi Wang   +4 more
wiley   +1 more source

Substituent Effect on Porphyrin Film-Gas Interaction by Optical Waveguide: Spectrum Analysis and Molecular Dynamic Simulation. [PDF]

Materials (Basel), 2020
Kari N, Zannotti M, Mamtmin G, Giovannetti R, Minofar B, Řeha D, Maimaiti P, Kutilike B, Yimit A.   +8 more
europepmc   +1 more source

A Unified Hierarchical Multiscale Fusion Framework for Drug–Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery

Advanced Science, EarlyView.
A multimodal fusion framework integrating sequence, atomic, and fragment representations captures drug–target interactions across multiple scales. The model delivers strong predictive performance and enables efficient virtual screening. Applied to hematopoietic progenitor kinase 1 (HPK1), it identifies structurally diverse inhibitors with nanomolar ...
Shuo Liu, Xiang Zhang, Haixia Feng, Yuquan Li, Xiaoqing Gong, Yong Liang, Xiaojun Yao, Huanxiang Liu   +7 more
wiley   +1 more source

AS‐TLC‐Based High‐Throughput Screening Integrated with CuAAC Optimization Strategy Facilitates the Rapid Discovery of YTHDC1 Inhibitor

Advanced Science, EarlyView.
We developed Affinity Selection Thin‐Layer Chromatography (AS‐TLC) as a method for high‐throughput screening (HTS) of compound mixtures. Furthermore, we integrated activity assays with AS‐TLC and identified a YTH domain‐containing protein 1 (YTHDC1) inhibitor. Building on this hit, we applied copper(I)‐catalyzed azide–alkyne cycloaddition (CuAAC) click
Mingchen Wang, Shuiping Fu, Ye Xu, Jia Gao, Jiwei Ren, Xu Yang, Hesong Xu, Ge Sun, Yanjie Li, Yanlin Wang, Lu Jin, Peijuan Chen, Ying Xu, Jianhao Li, Hua Lin, Chujiao Hu, Kaixian Chen, Huan Xiong, Cheng Luo, Shijie Chen   +19 more
wiley   +1 more source

Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale

Advanced Science, EarlyView.
Quantum‐trained AI links molecular substructures to frontier‐orbital energetics and enables interpretable screening across nearly one billion GDB‐13 molecules. By combining fragment‐ and ring‐level insights with donor–acceptor energy alignment against ITIC, the framework narrows an immense chemical space to a small set of promising candidates and ...
Yeongnam Ko, Se Jin Kim, Ki Chul Kim
wiley   +1 more source