Results 191 to 200 of about 4,644,920 (368)

Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook

Advanced Intelligent Discovery, EarlyView.
Large language models (LLMs) are reshaping materials science. Acting as Oracle, Surrogate, Quant, and Arbiter, they now extract knowledge, predict properties, gauge risk, and steer decisions within a traceable loop. Overcoming data heterogeneity, hallucinations, and poor interpretability demands domain‐adapted models, cross‐modal data standards, and ...
Jinglan Zhang, Xinyi Chen, Xu Ye, Yulin Yang, Bin Ai   +4 more
wiley   +1 more source

Biocatalytic Regioselective C‐Formylation of Resorcinol Derivatives

Angewandte Chemie, EarlyView.
An acyltransferase from Chromobacterium sphagni (CsATase) was identified that catalyzes the regioselective formylation of resorcinol substrates. The formylation of substituted resorcinol derivatives yielded mono‐formylated products with up to 99% conversion and up to 74% isolated yield.
Lilla Gal, Suresh Rohan, Anna Żądło‐Dobrowolska, Bianca Hilweg, Judith Müller, Kai Tittmann, Wolfgang Kroutil   +6 more
wiley   +2 more sources

An electrochemical multicomponent reaction toward C-H tetrazolation of alkyl arenes and vicinal azidotetrazolation of alkenes. [PDF]

Chem Sci, 2022
Yu Y, Zhu XB, Yuan Y, Ye KY.
europepmc   +1 more source

Passerini multicomponent reactions

, 2015
Peer ...
Marqués-López, Eugenia, Herrera, Raquel P.   +1 more
openaire   +1 more source

Accelerating Biosensor Discovery: A Computationally‐Driven Pipeline for Microplastics Monitoring

Advanced Intelligent Discovery, EarlyView.
A computationally guided pipeline unites molecular simulation, synthetic biology, electrochemical engineering, and machine learning to accelerate biosensor discovery. A Bacillus anthracis carbohydrate‐binding module is used to develop a high‐performance micro‐ and nanoplastics sensor with greatly reduced error and variability.
Gabriel X. Pereira, Marcos de C. Leite, Pedro H. M. Zanineli, Juliana N. Y. Costa, Débora M. Cunha, Sophia P. Serra, Pedro H. Sophia, Flávio M. Shimizu, Yasmin W. Moura, Célio C. Oliveira, Gabriel R. Schleder, Gabriela F. Persinoti, Leandro Merces, Renato S. Lima   +13 more
wiley   +1 more source

Combining ToF‐SIMS and Multivariate Analysis to Resolve Active Sites on Ni‐Based HER Catalysts

Angewandte Chemie, EarlyView.
Time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), combined with principal component analysis (PCA) and multivariate curve resolution (MCR), disentangles ultrathin mixtures of Ni, NiO, and Ni(OH)2 on model Ni electrodes. By revealing a hydroxide‐specific ion marker linked to hydrogen evolution reaction (HER) activity, the method offers a new ...
Matjaž Finšgar, Katja Andrina Varda, Dzevad K. Kozlica, Matej Huš, Milena Martins, Dušan Strmčnik   +5 more
wiley   +2 more sources

Toward synthesis of third-generation spin-labeled podophyllotoxin derivatives using isocyanide multicomponent reactions

, 2014
Liang Kou, Mei-Juan Wang, Li‐Ting Wang, Xiao-Bo Zhao, Xiang Nan, Yang Liu, Ying-Qian Liu, Susan L. Morris‐Natschke, Kuo‐Hsiung Lee   +8 more
openalex   +2 more sources

Regioselectivity in the multicomponent reaction of 5-aminopyrazoles, cyclic 1,3-diketones and dimethylformamide dimethylacetal under controlled microwave heating [PDF]

, 2012
Kamal Usef Sadek, Ramadan Ahmed Mekheimer, Tahany Mahmoud Mohamed, Moustafa Sherief Moustafa, Mohamed Hilmy Elnagdi   +4 more
openalex   +1 more source

Numerical modeling tools for chemical vapor deposition [PDF]

Development of general numerical simulation tools for chemical vapor deposition (CVD) was the objective of this study. Physical models of important CVD phenomena were developed and implemented into the commercial computational fluid dynamics software ...
Childs, Edward P., Jasinski, Thomas J.
core   +1 more source

Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

Advanced Intelligent Discovery, EarlyView.
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley   +1 more source