Results 111 to 120 of about 60,540 (292)

Substituent effects on stability of oxiranes, oxirenes, and dioxiranes

, 2000
Homodesmotic reactions were designed to study substituent effects on stability of oxiranes, oxirenes, and dioxiranes. Good or fair correlation between their homodesmotic stabilization energies and Taft's dual-substituent-parameters has been found ...
Kuangsen Sung
core   +1 more source

A Catalytic Osmium Redox Couple Collapses Cancer Redox Balance

Advanced Science, EarlyView.
A stable Os(III)/Os(IV) redox couple is developed to disrupt the tumor cell redox balance by concurrently catalyzing ROS generation and GSH depletion. Osmium‐treated cells exhibit multiple cell death pathways, including apoptosis, ferroptosis, and immunogenic cell death.
Wan‐Qiong Huang, Tao Huang, Yiming Hao, Gui‐Feng Huang, Yi‐Lang Yan, Xin Fang, Ying Chen, Xiao‐Long Wei, Wai‐Lun Man, Wen‐Xiu Ni   +9 more
wiley   +1 more source

Photocatalytic Synthesis of Pentafluorosulfanyl Ketones, Acetals, and BCP Motifs Utilizing SF6

Advanced Science, EarlyView.
A photocatalytic single electron reduction strategy is reported for the activation and valorization of sulfur hexafluoride (SF6), a potent greenhouse gas. Under mild conditions, SF6 is reduced to generate pentafluorosulfanyl (SF5) radicals, enabling direct access to pentafluorosulfanyl ketones, acetals, and BCP motifs.
Chen‐Hui Jiang, Haoran Xu, Yi‐Gang Yang, Xuan Nie, Meng‐Meng Zheng, Yue Zhao, Ya‐Wen Zuo, Wei‐Ran Ren, Shan Zhu, Ruo‐Xing Jin, Xiao‐Song Xue, Xi‐Sheng Wang   +11 more
wiley   +1 more source

Synergistic Probe Combining Lysosome Anchoring and Tumor Defense System Targeting for Precise Tumor Visualization

Advanced Science, EarlyView.
A new generation of high‐precision fluorescent probes based on the lysosomal characteristics in tumor metabolic reprogramming and overexpressed tumor markers. The probe (CN‐D‐GGT) selectively label cancer cells in co‐culture systems and distinguish tumor lesions from inflamedand normal tissues in vivo, enabling precise tumor imaging.
Yang Shen, Jiawei Li, Ruixi Yi, Ling Shi, Wei Li, Sulai Liu, Lin Yuan   +6 more
wiley   +1 more source

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

Chemometrical Analysis of Substituent Effects. V. ortho Effect

, 1994
The dissociation constants of nineteen ortho substituted benzoic acids have been determined in eight organic solvents (methanol, ethanol, acetone, dimethyl sulfoxide, dimethylformamide, acetonitrile, pyridine, 1,2-dichloroethane). The correlation between
Josef Liška, Oldřich Pytela
core   +1 more source

Side Chain Elimination Enables Low‐Cost Fused‐Ring Acceptors and Reveals a Compact Tetrameric Structure for High‐Photocurrent Organic Solar Cells

Advanced Science, EarlyView.
β‐side chain elimination enables cost‐effective fused‐ring acceptors, JSM5 and JSM6, with simplified synthesis. The observed compact tetrameric structures induced by S···N intermolecular interactions lead to 3D charge transport and enhance intermolecular connectivity, delivering high short‐circuit current density up to 28 mA cm−2, a step closer to the ...
Jinhui Zhao, Yi Wu, Witold M. Bloch, Caroline V. I. Andersson, Leandro R. Franco, Rafael B. Ribeiro, Chuangcheng Hong, Wei Zhang, Xun Pan, Joost Kimpel, Christian Müller, Zhicai He, Bin Zhang, Ergang Wang, Mats R. Andersson   +14 more
wiley   +1 more source

Substituent effects in the mass spectra of benzoyl hetarenes

, 1979
Grützmacher H-F, Schubert R. Substituent effects in the mass spectra of benzoyl hetarenes. Organic Mass Spectrometry.
Schubert, Ralf, Grützmacher, Hans-Friedrich   +1 more
core   +1 more source

Asymmetrically Fluorinated Phenyl 4‐biphenylcarboxylate Motifs as a Design Principle for Enantiotropic Ferroelectric Liquid Crystals

Advanced Science, EarlyView.
The effect of the structural arrangement of DIO and its analogs on ferroelectric phases is explored. Consequently, it is found that an asymmetrically fluorinated phenyl 4‐biphenylcaroboxylate skeleton is one of the favorable structural motifs for the emergence of enantiotropic ferroelectric liquid crystal phases.
Hiroyuki Matsukizono, Koichiro Hayashi, Keiko Kojima, Yasushi Okumura, Hirotsugu Kikuchi   +4 more
wiley   +1 more source

Broad Transferability of Substituent Effects in π‑Stacking Interactions Provides New Insights into Their Origin

, 2016
Substituent effects in model stacked homodimers and heterodimers of benzene, borazine, and 1,3,5-triazine have been examined computationally. We show that substituent effects in these dimers are strongly dependent on the identity of the unsubstituted ...
Steven E. Wheeler (1278513), Rajesh K. Raju (1798750), Jacob W. G. Bloom (1753159)   +2 more
core   +1 more source