Results 151 to 160 of about 62,059 (262)

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

Functionalization reactions of styrene and styrene derivatives. [PDF]

RSC Adv
Ding Y, Xue X, Lucan D, Liu HK.
europepmc   +1 more source

Improving the Physicochemical Properties, Organic Acids, Amino Acids, Volatile Organic Compounds, and Metabolites of Laohan Melon Juice Through Fermentation With Different Lactic Acid Bacteria

AgriFood: Journal of Agricultural Products for Food, EarlyView.
Fermentation with lactic acid bacteria could improve amino acids, volatile organic compounds (VOCs), and nonvolatile metabolites of Laohan melon juice (LMJ), which provides theoretical guidance for the development of Laohan melon beverage and advances knowledge of the metabolic mechanisms of VOCs in LMJ.
Yun Xie, Sihan Hou, Mingdong Tan, Jianqiao Jiang, Yue Hu, Yiwen Chen, Yongkang Li, Miao Cui, Jianming Niu, Weidong Cheng, Xilei Pu, Yuyun He, Feifei Gao   +12 more
wiley   +1 more source

Mechanistic Insights into the Photodegradation of Trityl Radicals. [PDF]

Org Lett
Shibata A, Abe M.
europepmc   +1 more source

The Antidiabetic Potential of Alpha‐Mangostin: A Review of Preclinical and Clinical Evidence

AgriFood: Journal of Agricultural Products for Food, EarlyView.
Alpha‐mangostin is a compound from the pericarp of Garcinia mangostana. The antidiabetic effects of alpha‐mangostin include enhancing insulin secretion, improving glucose uptake through GLUT receptor upregulation, reducing oxidative stress and inflammation, promoting wound healing, reducing HbA1C, reducing HOMA‐IR index, and decreased mRNA expressions ...
Oliver Dean John, Nur Damia Iwani Zulkiflee, Siti Raihanah Shafie, Ramlah George, Melonney Patrick   +4 more
wiley   +1 more source

Preparation of Silica-Based Chitosan Chiral Stationary Phases by Two Synthetic Approaches and Evaluation of Their Enantioseparation Performance by HPLC. [PDF]

Biomed Chromatogr
Zhang X, Li B, Han X.
europepmc   +1 more source

How small changes to methylated piperidinium cations impact the synthesis of zeolite SSZ‐39

AIChE Journal, EarlyView.
Abstract Here we report a synthesis study of SSZ‐39 with four different organic structure directing agents (OSDA). The goal was to determine how subtle changes to the OSDA architecture impact crystallization kinetics, material composition, and other properties.
Onyinyechukwu Ukagha, Daniel F. Shantz
wiley   +1 more source

Insights into Tetrazine-Benzene Cycloadditions. [PDF]

J Phys Chem A
Demuth T, Svatunek D.
europepmc   +1 more source

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

Advanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

Metalloradical Activation of Iodonium Ylides for Catalytic Radical Cyclization via Fe(III)-Based Metalloradical Catalysis. [PDF]

JACS Au
Singh N, Mondal B, Pawar AB.
europepmc   +1 more source