Results 51 to 60 of about 49,832 (253)

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Phase Engineering of Atomically Precise Nanoclusters (APNCs) of Gold and Beyond

Advanced Materials, EarlyView.
Engineering the structural phase of materials is of paramount importance for both fundamental research and practical applications. In this Review, we summarize the recent progress in controlling the phases of atomically precise nanoclusters (APNCs) of gold, silver and copper, as well as bimetallic systems. The phase‐enabled material properties of APNCs
Yitong Wang, Avirup Sardar, Weijie Ji, Zhongyu Liu, Rongchao Jin   +4 more
wiley   +1 more source

Mechanically Robust and Depolymerizable Polyesters With Near‐Complete Monomer Recovery for Circular Additive Manufacturing

Advanced Materials, EarlyView.
A sustainable δ‐lactone‐based polymer platform enables multimodal additive manufacturing through DLP, DIW, and FFF, combining tunable crystallinity, photocurable networks, mechanical robustness, and functional response. The printed materials can be mechanically reprocessed and chemically depolymerized into recoverable monomers, demonstrating a closed ...
Farzad Gholami, Rampi Ramprasad, H. Jerry Qi   +2 more
wiley   +1 more source

Decoupling Activation and Preservation: Architectural Design Principles of Organic Frameworks for Selective Photocatalytic Methane Oxidation

Advanced Materials, EarlyView.
Selective methane (CH4) photooxidation emerges from architectural decoupling of activation and preservation. Programmable organic semiconductor frameworks spatially organize oxidative flux and intermediate residence, separating reaction zones from product domains to synchronize activation strength with stabilization and establish a selective oxidation ...
Minxian Zhang, Jie He, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +5 more
wiley   +1 more source

Stimuli‐Responsive Hierarchical Structuring Controls Survival and Programs Hydrogelation of Supramolecular Metallofibers

Advanced Materials, EarlyView.
Aqueous Zn(II) Salphen metallofibers decorated with PNIPAM undergo reversible, multi‐stimuli‐responsive hierarchical bundling. This higher‐order structuring kinetically stabilizes the otherwise fragile assemblies against dilution, acidic hydrolysis, and transmetallation, enables selective sorting of responsive fibers, and programs hydrogelation at ...
Merlin R. Stühler, László Mérai, Kai Ludwig, Rainer Haag, Quinn A. Besford, Alex J. Plajer   +5 more
wiley   +1 more source

Substituent Effects in Ugi–Smiles Reactions

The Journal of Physical Chemistry A, 2013
In a recent communication, we described the mechanism of the well-known Ugi-type reactions with a model system (J. Org. Chem. 2012, 77, 1361-1366). Herein, focusing on the Ugi-Smiles coupling, we study the effects of each of the four reactants on the energy profile to further explain the experimental results.
Chéron, Nicolas, Ramozzi, Romain, El Kaim, Laurent, Grimaud, Laurence, Fleurat-Lessard, Paul   +4 more
openaire   +3 more sources

Ionizable Lipid‐Dependent Optimization of Steroid Lipid Nanoparticles With Tunable Immunomodulatory Properties

Advanced Materials, EarlyView.
A novel engineering strategy that establishes material design principles for incorporating anti‐inflammatory steroids into lipid nanoparticles to reduce LNP‐induced inflammation while retaining mRNA delivery. Results are validated in vitro and in three animal models of inflammation and autoimmunity in vivo.
Ajay S. Thatte, Benjamin E. Nachod, Julia Baena, Jenna Muscat‐Rivera, Lesley Chaboub, Hannah C. Safford, Hannah C. Geisler, Hannah M. Yamagata, Melgious J. Y. Ang, Michael Kegel, Alexandre Poirier, Elaine R. Tong, Zhe Zhong, Qiangqiang Shi, Jinjin Wang, Elisa Battistini, Ye Zeng, Alex G. Hamilton, Kelsey L. Swingle, Drew Weissman, Jilian R. Melamed, Michael J. Mitchell   +21 more
wiley   +1 more source

Dissociative Electron Transfer to N‐(Arylthio)phthalimides: Factors Affecting the Formation and Dissociation of Radical Anions

ChemElectroChem
A series of chemically and biologically relevant N‐(arylthio)phthalimides is synthesized and its electrochemical reduction investigated. The results of the electrochemical study are analysed through application of Savéant's dissociative electron transfer
Michael A. Saley, Emad M. Hamed, Abdelaziz Houmam   +2 more
doaj   +1 more source

Iron Porphyrin-Based Composites for Electrocatalytic Oxygen Reduction Reactions

Molecules
The oxygen reduction reaction (ORR) is one of the most critical reactions in energy conversion systems, and it facilitates the efficient conversion of chemical energy into electrical energy, which is necessary for modern technology.
Stennard Leetroy George, Linkai Zhao, Ziyi Wang, Zhaoli Xue, Long Zhao   +4 more
doaj   +1 more source

Dual Substituent Parameter Modeling of Theoretical, NMR and IR Spectral Data of 5-Substituted Indole-2,3-diones

Molecules, 2002
Correlations of AM1 and PM3 theoretical data, 13C-NMR substituent chemical shifts (13C-SCS) and IR carbonyl group wave numbers [ν(C3═O)] were studied using dual substituent parameter (DSP) models for 5-substituted indole-2,3-diones.
Zora Å usteková, Katri Laihia, Walter M.F. Fabian, Erkki Kolehmainen, Mária Å amalíková, Alexander Perjéssy, Hanan A. Radhy, Ghazwan F. Fadhil   +7 more
doaj   +1 more source