Results 121 to 130 of about 134,654 (299)

Substituent effect on TADF properties of 2-modified 4,6-bis(3,6-di-tert-butyl-9-carbazolyl)-5-methylpyrimidines. [PDF]

Beilstein J Org Chem, 2022
Fiodorova I, Serevičius T, Skaisgiris R, Juršėnas S, Tumkevicius S.   +4 more
europepmc   +1 more source

Catechol Derivative‐Based Bioadhesives: Molecular Design for Precision Medical Adhesion

Advanced Science, EarlyView.
This study utilizes tree‐inspired side‐chain engineering to graft five catechol derivatives onto PVA, systematically revealing how side‐chain length and substituents regulate adhesion and cohesion properties. Among them, the PVA‐CA patch demonstrates superior tissue adhesion, biocompatibility, and promotes regeneration, establishing a programmable ...
Xueyu Wang, Zixin Yang, Shan Wang, Weiwei Tan, Zhirui He, Qinyu Duan, Huanan Wang, Tao Chen, Shanshan Hu   +8 more
wiley   +1 more source

Introdução à físico-química orgânica utilizando um colorímetro artesanal - uma prática interdisciplinar

Química Nova
Herein, we propose an interdisciplinary experiment for undergraduate course that involves concepts of organic and physical chemistry. Firstly, we propose the synthesis of three nitrophenyl acetates, varying the substituent position.
Valmir B. Silva, Elisa S. Orth
doaj   +1 more source

Self‐Nitriding Nanostructured Transition Metal Nitrides in Architected‐Carbon Matrices: Unveiling Mechanisms and Advancing Performance in Lithium‐Sulfur Pouch Cells

Advanced Science, EarlyView.
Imidazolium PIL nanoparticles, as an N‐rich template and morphology director, enable a colloidal self‐nitriding route to TMNs (VN, Mo2N) within controlled solid/hollow carbon architectures. As sulfur hosts/additives, TMNs accelerate Li–S redox kinetics and support high‐loading cathodes.
Yael Rodriguez Ayllon, Liqiang Lu, Dongjiu Xie, Xuefeng Pan, Teodor Jianu, Fangmu Qu, Sijia Cao, Yu Zhang, Roberto Félix, Marcus Bär, Nadezda V. Tarakina, Johannes Schmidt, Qingping Wu, Jiayin Yuan, Yan Lu   +14 more
wiley   +1 more source

Modular Generation of Alkyl Selenyl Radicals for the Synthesis of Alkyl Selenides via a Mechanochemical Approach

Advanced Science, EarlyView.
We present a mechanochemical, radical‐mediated hydroselenation of alkenes under ambient conditions. This method modularly generates alkyl selenyl radicals from elemental selenium and alkyl (pseudo)halides, utilizing PhSiH3 and H2O as hydrogen atom donors, with the water likely originating from the air and/or trace water present in the reagents ...
Xiaochun He, Yu Zhou, Fei Zhou, Zixi Ai, Peiyu Hu, Xuemei Zhang, Xiaofeng Wei, Gui‐Juan Cheng, Zhong Lian   +8 more
wiley   +1 more source

Dual Covalent Targeting of STING Cysteines 292/309 Disrupts Functional Oligomerization and Enables Potent Antagonist Development

Advanced Science, EarlyView.
We report a rational design strategy for STING antagonists by dual covalent targeting of Cys292/309 in its C‐terminal domain, directly preventing functional oligomerization. Through covalent warhead repurposing, we identified P005091 and revealed its unique dual‐cysteine mechanism.
Yuxuan Zhao, Ling Huang, Wenjing Qin, Bin Zhang, Yang Yang, Xue Chen, Xiaoquan Wang, Weilin Zhou, Feiyang Chen, Zhenyu Li, Liyuan Le, Yiqiu Zhang, Zhen Xiang, Lu Zhang, Fei Wang, Dan Lei, Zi‐zhe Cai, Ying Gao, Yong Chen, Xuecen Wang, Junmin Quan, Shuixing Zhang, Xianzhang Bu, Xin Yue   +23 more
wiley   +1 more source

Reduced‐Graphene Oxide Nanofiltration Membranes Intercalated by Conjugated Polyaromatics: Towards High Monovalent Salt Rejections

Advanced Science, EarlyView.
We demonstrate the fabrication of a series of reduced‐GO nanofiltration membranes containing intercalated polyaromatic conjugated molecules of different structural classes. These tuned‐nanochannel membranes perform “deep nanofiltration” with remarkably high monovalent salt rejections and near‐total divalent salt rejections in a large concentration ...
Muskan Sonker, Sankar Nair
wiley   +1 more source

Terminal Trialkylsilyl Substituent Effect of Janus-type Molecular Tubes on the Inclusion of Unsaturated Fatty Acid Esters. [PDF]

ACS Omega, 2021
Kogame-Asahara C, Iguchi H, Honda K, Shigemitsu H, Kida T.   +4 more
europepmc   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Capturing electronic substituent effect with effective atomic orbitals

Physical Chemistry Chemical Physics
The occupation of the effective atomic orbitals (eff-AOs) of the carbon atoms in the aromatic ring is used to derive accurate descriptors of the inductive and resonance effects exerted by substituents in benzene derivatives.
Gerard Comas-Vilà, Pedro Salvador
openaire   +3 more sources