Results 101 to 110 of about 24,661 (250)

Incorporation of Organic Counter‐Cations Into Poly(Heptazine Imide) Networks for Promoting Proton‐Coupled Electron Transfer During Photocatalytic H2O2 Evolution

Angewandte Chemie, EarlyView.
Incorporation of N‐based onium ions into the ionic framework of poly(heptazine imide) was obtained via protonation‐deprotonation of PHI frameworks arising from a parent Na‐containing analogue. Particularly, methylammonium moieties, through their small molecular size, hydrogen bonding capabilities and rotational mobility, appear to stabilize ...
Dingqiao Ji, Hikmat Binyaminov, Desiree Leistenschneider, Martin Oschatz, Paolo Giusto, Markus Antonietti, Horațiu Szalad   +6 more
wiley   +2 more sources

Dual Impact of Long‐Lived Localized Carriers Induced by Restricted Hole Transfer in Organic Photovoltaics and Photocatalytic Hydrogen Evolution

Advanced Energy Materials, EarlyView.
This work clarifies why organic semiconductors perform differently in photovoltaic devices and photocatalytic nanoparticles. By examining D18:Y5 and PM6:Y6 systems, we show how aggregation, exciton lifetime, and interfacial charge transfer behavior govern energy‐conversion pathways.
Gayoung Ham, Sanghyeok An, Wooteak Jung, Hyun Min Kwon, Seonghyeon Kang, Jaehyuk Lee, Sowon Kim, Changwoo Park, Damin Lee, Young Yong Kim, Sungjin Jo, Chang Yun Son, Sae Byeok Jo, Dae Sung Chung, Hyojung Cha   +14 more
wiley   +1 more source

Simultaneous Electronic and Crystallographic Modulation of Cs3Bi2Br9 by Single‐Element Sn Substitution for Enhanced CO2 Photoreduction

Advanced Energy Materials, EarlyView.
Aliovalent B‐site substitution with Sn2+ in lead‐free perovskite, Cs3Bi2Br9, is employed to simultaneously induce lattice contraction and bromine vacancy through charge imbalance and ionic radius mismatch. The resulting structural distortion modulates the electronic structure and improves charge separation, leading to enhanced visible‐light‐driven CO2 ...
Justin Khor, Jiale Lee, Xin Ying Kong, Qixin Zhou, Yongfa Zhu, Jingxiang Low, Siang‐Piao Chai, Lling‐Lling Tan   +7 more
wiley   +1 more source

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

Generation of the Camptothecin Scaffold by a Flavin‐Catalyzed Photooxidative Skeletal Reorganization

Angewandte Chemie, EarlyView.
The biosynthetic pathway of the anticancer drug precursor camptothecin involves an enigmatic skeletal reorganization from a 6/5/6 tetrahydro‐β‐carboline to a 6/6/5 pyrroloquinoline ring system. Here, we show that this transformation can be achieved by photooxidation with flavin cofactors, such as flavin mononucleotide (FMN) as catalysts.
Shenyu Liu, Zeliang Zhang, Benedikt Seligmann, Van Hung Bui, Tuan‐Anh Minh Nguyen, Thu‐Thuy T. Dang, Jakob Franke   +6 more
wiley   +2 more sources

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

Advanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi, Yu Kumagai, Arata Takamatsu, Fumiyasu Oba   +3 more
wiley   +1 more source

Visible‐Light‐Induced Carbon–Hydrogen Phosphonylation of Conjugated Polymers via Electron Donor–Acceptor Complex Activation

Angewandte Chemie, EarlyView.
Electron donor–acceptor (EDA) complex activation enabled the efficient transformation of conjugated polymers. Compared with the small‐molecule model compound, the polymers reacted more efficiently, achieving quantitative conversion of PFO. This result demonstrates a new platform for incorporating conjugated polymers into EDA‐mediated photochemical ...
Tomohiro Tamano, Kohei Taniguchi, Yoichiro Eriguchi, Kosuke Sato, Shinsuke Inagi   +4 more
wiley   +2 more sources

Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs

Advanced Intelligent Discovery, EarlyView.
Structure motifs in materials are used to construct a bipartite material–motif network that links each material to its constituent motifs and establishes connectivity among materials sharing common motifs. Network analysis reveals material clusters associated with different functional applications and supports motif‐guided screening of materials.
Anoj Aryal, Weiyi Gong, Huta Banjade, Qimin Yan   +3 more
wiley   +1 more source

Remote Desaturation of Unprotected Amines and C─H Amination of Alkanes by Polarity‐Matched N‐Radical Cations

Angewandte Chemie, EarlyView.
Highly electrophilic N‐radical cations enable efficient and selective H‐atom transfer (HAT) of unprotected amines. In this exceedingly practical strategy, simple CuCl catalyzes an interrupted Hofmann–Löffler–Freytag (HLF) reaction to afford δ desaturated amines, aza‐heterocycles, and C─H aminated alkanes without protecting groups.
Pavitra Laohapaisan, Ross M. Dare, Meredith L. Rudich, Jacob J. A. Garwood, Siyuan Gong, R. Thomas Simons, David A. Nagib   +6 more
wiley   +2 more sources

Harnessing the Reactivity of Sulfinate Salts With Cystine: An Umpolung Approach to Residue‐Specific Peptide Modification

Angewandte Chemie, EarlyView.
While cysteine is widely employed as a nucleophilic handle for peptide modification, the electrophilicity of the oxidized form, cystine, is rarely exploited. This study describes a mild, photochemical coupling of sulfinate salts with peptide disulfides.
Joshua M. Hammond, Esteban Suárez‐Picado, Lena von Sydow, Hanna Bruss, Laurent Knerr, Magnus Johansson, Anaïs Noisier, Lara R. Malins   +7 more
wiley   +2 more sources