Results 101 to 110 of about 90,651 (308)

Evidence for a Cu(II)‐Catalysed CuAAC Reaction: A Combined Experimental and Computational Study

Angewandte Chemie, EarlyView.
A new mechanistic pathway for the CuAAC reaction has been found to operate under specific reaction conditions. The pathway is catalysed by Cu(II) through a self‐assembled dinuclear Cu(II) complex that incorporates the triazole product. Computational analysis and assessment of generality are reported.
Matthew J. Andrews, Thomas M. Richardson, Dean D. Roberts, Aitor Maestro, Timothy A. Hilton, Lia Sotorrios, Carlos Martín‐Fernández, Luca Craciunescu, Frederik Peschke, Aidan P. McKay, Stuart A. Macgregor, Glenn A. Burley, Allan J. B. Watson   +12 more
wiley   +2 more sources

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Record Dissymmetry in Vibrational Optical Activity: Combining Vibronic Coupling and Aggregation in Cobalt(II) Camphorate Complexes

Angewandte Chemie, EarlyView.
The cobalt(II) bis(trifluoroacetylcamphorate) scaffold exhibits versatile coordination chemistry with solvent‐driven ligand exchange and geometrical rearrangements, associated with unique chiroptical properties. Microcrystalline suspension of [Co(tfc)2(CH3CN)2] revealed the largest VCD dissymmetry factor ever reported (g ≈ 0.2 at 1600 cm−1), arising ...
Gianmarco Papi, Massimo Guelfi, Stefano Zacchini, Fabio Marchetti, Gennaro Pescitelli   +4 more
wiley   +2 more sources

Isı Depolamalı Bir LPG Buharlaştırıcı Regülatörünün Deneysel Analizi

Düzce Üniversitesi Bilim ve Teknoloji Dergisi, 2018
Bu çalışmada, taşıt LPG dönüşüm regülatörlerindekisoğuk çalıştırma probleminin çözümü için, faz değiştiren malzeme (PCM)kullanımıyla ısı enerjisi depolayabilen bir regülatör tasarlanmıştır.
Adem Uğurlu, Metin Gümüş
doaj  

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, Christian Mark Pelicano   +1 more
wiley   +1 more source

Fluorescent cAMP Analogs: Enzymatic Synthesis, Unexpected Photophysical Behavior and Protein Kinase A Recognition

Angewandte Chemie, EarlyView.
Cyclic adenosine monophosphate (cAMP) is a key cellular second messenger. Adenylyl cyclase converts emissive isomorphic nucleoside triphosphates into fluorescent cAMPs. cthAMP displays unusually high brightness compared to thATP, its precursor, enabling real‐time monitoring of enzymatic reactions.
Deyuan Cong, Victor Dubois, Jamie Y. Lam, Yitzhak Tor   +3 more
wiley   +2 more sources

Toward Capacitive In‐Memory‐Computing: A Device to Systems Level Perspective on the Future of Artificial Intelligence Hardware

Advanced Intelligent Discovery, EarlyView.
Capacitive, charge‐domain compute‐in‐memory (CIM) stores weights as capacitance,eliminating DC sneak paths and IR‐drop, yielding near‐zero standbypower. In this perspective, we present a device to systems level performance analysis of most promising architectures and predict apathway for upscaling capacitive CIM for sustainable edge computing ...
Kapil Bhardwaj, Ella Paasio, Sayani Majumdar   +2 more
wiley   +1 more source

Azole γ‐Peptides Helix Switching via Heterocycle Substitutions

Angewandte Chemie, EarlyView.
Heterocycle substitution in azole‐based γ‐amino acids enables control over the helical shape of heterocyclic γ‐peptides. S↔N permutation in thiazole residues switches a canonical 9‐helix into a flexible helix exhibiting discontinuous hydrogen bonding.
Samantha Chaise, Claude Didierjean, Audrey Gacogne, Maxime Fillaudeau, Young Kee Kang, Aurélien Lebrun, Jean‐Louis Bantignies, Dominique Housset, Muriel Amblard, Ludovic T. Maillard, Baptiste Legrand   +10 more
wiley   +2 more sources

Interactions between maternal provisioning and natural selection on seed mass fluctuate across heat waves

American Journal of Botany, EarlyView.
Abstract Premise Changing climates are leading to more frequent and severe heat waves, potentially threatening plant populations. Both acclimation to stress and selection for heat‐escape or heat‐resistance phenotypes occur during heat waves. However, plastic responses and selection do not necessarily interact cohesively—even producing trait responses ...
Lana F. Gaspard, Elissa Harb, Stacy D. Holt Jr., Courtney M. Patterson, Nicholas J. Kooyers   +4 more
wiley   +1 more source

Cycloazulenylen

Angewandte Chemie, EarlyView.
Ein ausschließlich aus Azulen‐Untereinheiten aufgebauter gespannter Makrocyclus mit der Bezeichnung [6]Cycloparaazulenylen ([6]CPA) wird vorgestellt. Der Makrocyclus weist für ein Azulensystem eine bemerkenswert kleine HOMO–LUMO‐Energielücke, eine durch die Ringspannung hervorgerufene bathochrome Verschiebung der Absorption sowie ein ungewöhnliches ...
Clara Douglas, Josefine Sprachmann, David Dunlop, Joël Schlecht, Jörg Neudörfl, Tommy Wachsmuth, Julian Frost, Tomáš Slanina, Oliver Dumele   +8 more
wiley   +1 more source