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
Advanced Intelligent Discovery, EarlyView.Bayesian optimization enabled the design of PA56 system with just 8 wt% additives, achieving limiting oxygen index 30.5%, tensile strength 80.9 MPa, and UL‐94 V‐0 rating. Without prior knowledge, the algorithm uncovered synergistic effects between aluminum diethyl‐phosphinate and nanoclay.
Burcu Ozdemir +4 more
wiley +1 more source
Click Chemistry and Multicomponent Reaction for Linker Diversification of Zinc Dipicolylamine-Based Drug Conjugates. [PDF]
Front Chem, 2021 Tsai CH +7 more
europepmc +1 more source
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 +4 more
wiley +1 more source
Multicomponent reactions with fullerenes
, 2018 The curious carbon cage structure of fullerenes, coupled with their unique chemical, physical and biological properties makes this class of compound valued assets in many research areas. To supply the demand of novel derivatives, just a few classical reactions offer products with good yields under mild conditions.
openaire +2 more sources
Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion
Advanced Intelligent Discovery, EarlyView.This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia +1 more
wiley +1 more source
Novel 5-Nitrofuran-Tagged Imidazo-Fused Azines and Azoles Amenable by the Groebke-Blackburn-Bienaymé Multicomponent Reaction: Activity Profile against ESKAPE Pathogens and Mycobacteria. [PDF]
Biomedicines, 2022 Sapegin A +9 more
europepmc +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 +13 more
wiley +1 more source
Fruit juice mediated multicomponent reaction for the synthesis of substituted isoxazoles and their in vitro bio-evaluation. [PDF]
Sci Rep, 2021 Gulati S, Singh R, Sangwan S.
europepmc +1 more source
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