Results 201 to 210 of about 1,227,058 (270)

Aryl glyoxal: a prime synthetic equivalent for multicomponent reactions in the designing of oxygen heterocycles.

RSC Adv, 2023
Sheikh AR, Arif A, Khan MM.
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

RETRACTED: Quazi et al. The Discovery of Novel Antimicrobial Agents Through the Application of Isocyanide-Based Multicomponent Reactions. <i>Antibiotics</i> 2023, <i>12</i>, 849. [PDF]

Antibiotics (Basel)
Quazi S, Rashid MT, Malik JA, Gavas S.
europepmc   +1 more source

Functionalized TiO2 Catalysts: Revolutionary Candidate for Low‐Temperature MgH2 and Prospects for Intelligent Integration

Advanced Intelligent Discovery, EarlyView.
Recent advances in TiO2 modification strategies: structure regulation and composite engineering for improved activity and functionality. TiO2 has emerged as a pivotal catalyst for enhancing MgH2, a high‐capacity solid‐state hydrogen storage material, owing to its structural versatility.
Xiaopeng Chu, Jinghao Wang, Haojie Shi, Chuanxin Peng, Jiacheng Qi, Ge Gao, Guoquan Na, Haibo Yu, Kela Xiao, Gangqiang Wu, Zhendong Yao   +10 more
wiley   +1 more source

Visible-Light-Driven Photocatalyst-Free Multicomponent Reactions: Green Synthesis of Tetraketones as Potent Antiviral Agents through Virtual Screening, Molecular Docking, and MD Simulations. [PDF]

ACS Omega
Acharya SS, Roul A, Dansana J, Tripathy AR, Gadtya A, Meher BR, Parida BB.   +6 more
europepmc   +1 more source

From Word2Vec to Transformers: Text‐Derived Composition Embeddings for Filtering Combinatorial Electrocatalysts

Advanced Intelligent Discovery, EarlyView.
With the downstream filter held fixed, text‐derived composition representations produce distinct screening outcomes across 14 electrocatalyst libraries. Embedding model and composition encoding control the trade‐off between candidate reduction and preservation of the best measured current.
Lei Zhang, Markus Stricker
wiley   +1 more source

Supramolecular Polymerization and Morphological Transformation of Dynamic Helical Poly(Phenylacetylene)s via Chain‐End Host–Guest Interactions

Angewandte Chemie, EarlyView.
A helical polymer whose chain ends are connected through pillar[5]arene‐based host–guest interactions translates molecular helicity into supramolecular morphology. Solvent‐triggered helicity inversion accompanied by changes in chain rigidity switches the supramolecular architecture between cyclic and rigid‐rod nanostructures.
Tatsuya Nishimura, Haru Nozue, Feng Li, Tomoki Ogoshi, Katsuhiro Maeda   +4 more
wiley   +2 more sources

Ugi multicomponent reactions of optically active aldehydes and chiral aminoindanols: diastereoselective synthesis of bisamides relevant to SARS-CoV-2 Mpro inhibitors.

Org Biomol Chem
Ghosh AK, Bhattacharjee A, Jayashankar U, Bogan SN, Mesecar AD.   +4 more
europepmc   +1 more source

Synthesis of pyrrole-fused dibenzoxazepine/dibenzothiazepine/triazolobenzodiazepine derivatives via isocyanide-based multicomponent reactions. [PDF]

Beilstein J Org Chem
Norouzi M, Nazeri MT, Shaabani A, Notash B.   +3 more
europepmc   +1 more source

Smart Bioinspired Material‐Based Actuators: Current Challenges and Prospects

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
This work gathers, in a review style, an extensive and comprehensive literature overview on the development of autonomous actuators based on synthetic materials, bringing together valuable knowledge from several studies. Furthermore, the article identifies the fundamental principles of actuation mechanisms and defines key parameters to address the size
Alejandro Palacios, Léon Chiriatti, Simon Poppinga, Thomas Speck, Vincent Le Houérou   +4 more
wiley   +1 more source