Results 171 to 180 of about 59,325 (262)

Regiodivergent Cyclotrimerization of Alkynes: Switchable Selectivities by Iron and Nickel Catalysts. [PDF]

Precis Chem
Pan QX, Wu D, Chen F, Du ZH, Bo CB, Li M, Liu N.   +6 more
europepmc   +1 more source

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Effect of nanoemulsions of Araucaria heterophylla and Azadirachta indica leaf extracts against Culex pipiens: biochemical impacts and phytochemical profile. [PDF]

Sci Rep
Alkeridis LA, Al-Shuraym LAM, Alharbi HM, Baz MM, Selim A, Elhawary EA.   +5 more
europepmc   +1 more source

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

Advanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

Facile Preparation of a Poly[2]Catenane Network Using Self‐Assembled [2]Catenane Unit

Angewandte Chemie, EarlyView.
Polycatenanes show a higher degree of conformational freedom and mobility compared to covalent polymers. However, the number of its studies is far lower than that of other dynamic polymers. This may reflect the fact that the preparation of polycatenanes involves the complicated synthesis of covalent catenation.
Jinsa Li, Rui Hu, Yuxin Fu, Xiaohe Zhou, Jonathan L. Sessler, Xiaofan Ji   +5 more
wiley   +1 more source

Condensation of Acetoanthranil Derivatives with Benzene

NIPPON KAGAKU KAISHI, 1935
Mosuke HAYASHI, Hirochika NAMIKAWA, Ikuo MORIKAWA   +2 more
openaire   +2 more sources

The Role of Shape Commensurability in Chirality Transfer: Gold Nanoshape Solutes in a Discotic Nematic Liquid Crystal Solvent

Angewandte Chemie, EarlyView.
We report on a suitable approach to predict the chirality “strength” and efficacy of chirality transfer from chiral nanoshape solutes to an achiral discotic nematic (ND) liquid crystal solvent. Highly efficacious chirality transfer based on shape commensurability between nanoshape solute (in the form of gold nanodiscs, GNDs) and a ND solvent was ...
Gourab Acharjee, Lara Querciagrossa, Grace A. R. Rohaley, Nicholas M. Kamuti, Ashwathanarayana Gowda, Suraj Kumar Pathak, Asmita Shah, Kun Zhang, Jianfang Wang, Claudio Zannoni, Torsten Hegmann   +10 more
wiley   +1 more source

Comprehensive Evaluation of Fructus Tsaoko, Seeds of Tsaoko Fructus and Ginger Made Seeds of Tsaoko Fructus Based on Drug-Like Compounds and Aroma Analysis. [PDF]

Food Sci Nutr
Chen H, Yang M, Yang W, Qi M, Xu Z, Yang T, Zhang J.   +6 more
europepmc   +1 more source

Incorporation of Organic Counter‐Cations Into Poly(Heptazine Imide) Networks for Promoting Proton‐Coupled Electron Transfer During Photocatalytic H2O2 Evolution

Angewandte Chemie, EarlyView.
Incorporation of N‐based onium ions into the ionic framework of poly(heptazine imide) was obtained via protonation‐deprotonation of PHI frameworks arising from a parent Na‐containing analogue. Particularly, methylammonium moieties, through their small molecular size, hydrogen bonding capabilities and rotational mobility, appear to stabilize ...
Dingqiao Ji, Hikmat Binyaminov, Desiree Leistenschneider, Martin Oschatz, Paolo Giusto, Markus Antonietti, Horațiu Szalad   +6 more
wiley   +1 more source

Study of Vibronic and Cationic Features of p-Diethoxybenzene via REMPI, Hole-Burning, and MATI Spectroscopy. [PDF]

Int J Mol Sci
Qin X, Zhao Y, Ji Z, Li C, Jia S.
europepmc   +1 more source