Results 191 to 200 of about 11,387 (279)

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

Correction: Photocatalytic [3 + 2]-annulation <i>via</i> sodium tetraarylborate: a fundamental approach for synthesizing 1,4,2-diazaborole analogs. [PDF]

Chem Sci
Qin HN, Jiang HW, Zhao Y, Qurban S, Wang KC, Xu PF.   +5 more
europepmc   +1 more source

Smart Flexible Tactile Sensors: Recent Progress in Device Designs, Intelligent Algorithms, and Multidisciplinary Applications

Advanced Intelligent Discovery, EarlyView.
Flexible tactile sensors have considerable potential for broad application in healthcare monitoring, human–machine interfaces, and bioinspired robotics. This review explores recent progress in device design, performance optimization, and intelligent applications. It highlights how AI algorithms enhance environmental adaptability and perception accuracy
Siyuan Wang, Ming Dong, Rongrong Bao, Caofeng Pan   +3 more
wiley   +1 more source

Photocatalytic delayed hydration by alkene-alkene coupling: Modular access to highly substituted γ- and δ-lactones. [PDF]

Sci Adv
Ren YF, Chen JK, Chen XY, Du HW, Yu Q, Shu W.   +5 more
europepmc   +1 more source

Selective Homogeneous Catalysis in Asymmetric Synthesis [PDF]

, 2006
Fristrup, Peter
core  

Femtosecond Förster energy transfer over 20 A in Phycoerythrocyanin (PEC) trimers [PDF]

, 1993
Fischer, R., Gillbro, T., Martin, J.-L., Migus, A., Mourou, G. A., Palsson, L. O., Scheer, Hugo, Sharkov, A. V., Zewail, A. H.   +8 more
core   +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

Chemical Upcycling of Nitrile Butadiene Rubbers to Polyamines and Polyols by Chemoselective Catalytic Hydrogenation

Angewandte Chemie, EarlyView.
We demonstrate here the transformation of NBR (Nitrile butadiene rubber) including post‐consumer waste sourced from nitrile gloves and o‐rings into polyamines and polyols via ruthenium catalyzed hydrogenation. ABSTRACT We report here two new approaches for the chemical recycling/upcycling of nitrile butadiene rubber (NBR) to make either polyamines or ...
Alejandra Sophia Lozano Perez, Raymundo Marcial‐Hernandez, Harini Sampathkumar, Oluchi Emenike, Ketan Pancholi, Claire N. Brodie, Daniel M. Dawson, Amit Kumar   +7 more
wiley   +2 more sources

Lewis acid/NHC dual catalysis for regioselective vicinal decarboxylative carbonylation-acylation of alkenes. [PDF]

Chem Sci
Yang ML, Wu XF.
europepmc   +1 more source

Multi‐Property Machine Learning Models to Accelerate the Transition Toward Bio‐Based Emulsion Polymers

Advanced Intelligent Discovery, EarlyView.
A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary, Nicholas Ballard   +1 more
wiley   +1 more source