Results 151 to 160 of about 15,117 (303)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Molecular Design Strategies for High‐Voltage Organic Cathodes

Advanced Energy Materials, EarlyView.
This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong, Alae Eddine Lakraychi, Artur Lyssenko, Abhishek Ashwin Panchal, Harshan Reddy Gopidi, Pieremanuele Canepa, Rafael Gómez‐Bombarelli, Yan Yao, Rajeev Surendran Assary   +8 more
wiley   +1 more source

Pyridine‐Isomerism‐Driven Spin Engineering at a COP‐Fe3O4 Interface for High‐Performance Oxygen Reduction Electrocatalysis

Advanced Energy Materials, EarlyView.
Strategically adjusting the pyridine nitrogen position in the polymer matrix (pyridine isomerism) intensifies its interaction with embedded Fe3O4 nanocrystals. This enhanced interaction induces a spin‐state transition in Fe from low‐spin to intermediate‐spin, accompanied by refined d‐orbital properties.
Ruiqi Cheng, Xiaodong Lin, Qi Li, Yueying Chu, Xia Li, Huihuang Fang, Lin Zeng, Xinlin Hong, Alexandru Vlad, Guangchao Li, Feng Deng, Kwok‐yin Wong   +11 more
wiley   +1 more source

A fetus with meckel-gruber syndrome associated with isomerism

Open Medicine, 2014
Kitova Tanya, Kilova Kristina, Kitov Borislav, Masmoudi Aida, Milkov Denis, Gaigi Soumeya   +5 more
doaj   +1 more source

Chiral Molecular Configuration‐Mediated Crystallization of Perovskites for High‐Performance Solar Cells

Advanced Energy Materials, EarlyView.
In this work, we propose a chiral stereo‐anchoring strategy to modulate the colloidal evolution and crystallization behavior of FAPbI3 perovskites via stereochemical molecular design, which effectively regulates nucleation kinetics and promotes ordered crystal growth.
Runkang Wang, Yujie Zhu, Jiaxue You, Yunfan Wang, Jiarong Wu, Jinghao Ge, Pengda Tong, Shilong Jia, Xiaogang Wang, Yiran Tao, Hao‐Chung Kuo, Adel Najar, Lu Zhang, Yuanhao Gong, Shengzhong (Frank) Liu   +14 more
wiley   +1 more source

Atrial isomerism

The Journal of Thoracic and Cardiovascular Surgery, 1989
openaire   +2 more sources

Excipient Emulsion–Based Delivery Systems for Enhancing Carotenoid Bioavailability: Advances in Formulation and Gastrointestinal Fate

AgriFood: Journal of Agricultural Products for Food, EarlyView.
Excipient emulsion systems improve carotenoid solubilization, protect against degradation, and enhance gastrointestinal absorption through optimized formulation and digestion behavior. ABSTRACT Carotenoids are bioactive compounds that contribute to human health through antioxidant, provitamin A, and disease‐preventive effects.
Tugce Ceyhan, Elifsu Nemli, Esra Capanoglu, Merve Tomas   +3 more
wiley   +1 more source

Triple Isomerism in 3D Covalent Organic Frameworks

Isomerism in covalent organic frameworks (COFs) has scarcely been known. Here, for the first time we show 3D COFs with three framework isomers or polymorphs constructed from the same building blocks.
Koji Yazawa (410357), Yoshiaki Shoji (1455937), Hidehiro Uekusa (1441441), Kiyohiro Adachi (6858965), Masaki Kawano (1414144), Xiaohan Wang (691917), Daisuke Hashizume (1419916), Yoichi Murakami (1390786), Atsuko Kosaka (1905031), Takanori Fukushima (1280865), Terumasa Shimada (10104893), Yuki Wada (6078326)   +11 more
core   +1 more source

Starch‐Molded Snacks Enriched With Nance (Byrsonima crassifolia L.) Fruit Flour Functional Potential

AgriFood: Journal of Agricultural Products for Food, EarlyView.
Nance flour enriches starch‐molded snacks with antioxidants and fiber. These innovative snacks offer high phenolic bioaccessibility and improved sensory appeal, valorizing an underutilized fruit for sustainable food development. ABSTRACT This study aimed to develop starch‐molded snacks enriched with nance (Byrsonima crassifolia L.) flour, a native ...
Mariana Carolina Fregoso‐Ultreras, Cinthia Jazmin Villegas‐Ornelas, Victor Manuel Zamora‐Gasga, Jorge Alberto Sánchez‐Burgos, Sonia Guadalupe Sáyago‐Ayerdi, Francisco Javier Blancas‐Benitez   +5 more
wiley   +1 more source

Synthesis of functionalized polyolefins in a new continuous bench‐scale reactor apparatus

AIChE Journal, EarlyView.
Abstract In‐reactor functionalized polyolefins (FPOs), produced by molecular catalysts, are a new class of polymer materials with applications ranging from high performance adhesives to bitumen compatibilization. In this work, we disclose a procedure for the synthesis of FPOs in a new Continuous Bench‐scale Reactor Apparatus (COBRA).
Miloud Bouyahyi, Job Guzman, Travis Conant, Reggie Tennyson, Christoph Brose, Riccardo Conti, Peter Kolb, Andreas Müller   +7 more
wiley   +1 more source