Results 201 to 210 of about 256,760 (299)

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

A nucleic acid labeling chemistry reveals surface DNA on exosomes. [PDF]

Proc Natl Acad Sci U S A
Bošković F, Dutta Gupta P, Zhang J, Krishnan Y, Szostak JW.   +4 more
europepmc   +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

Comparative Analysis of Alcohol and Aldehyde Dehydrogenase Activities in Prostate Cancer and Benign Prostatic Hyperplasia. [PDF]

J Clin Med
Nowiński AR, Jelski W, Skrodzka M, Mroczko B, Gryko M, Orywal K.   +5 more
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

Synthetic Applications of Amino Acid Derived Aldehydes in Asymmetric Hydroxylation Reactions Using Nitrosobenzene

SynOpen
Vipin Kumar Jain, Sudeep Dhillon, Mayank Kinger   +2 more
doaj   +1 more source

Ethyl gallate as an unexplored organocatalyst: unlocking sustainable routes to isoxazolones. [PDF]

RSC Adv
Bhattacharjee S, Basak P, Ghosh P.
europepmc   +1 more source

Accidents in the Chemical Industry: A Scoping Review Focused on Causal Factors

American Journal of Industrial Medicine, EarlyView.
ABSTRACT Background Although occupational safety in the chemical industry is an area of ongoing research worldwide, chemical incidents continue to occur, indicating the need to review the causes, assist in safety management, and identify problems in the quality of reporting. Methods A systematic search of studies published in English between January 1,
Željka Babić, Emin Veledar, Zrinka Franić, Franka Šakić, Mojca Dobaja Borak, Lucija Šarc, Jelena Macan, Miran Brvar   +7 more
wiley   +1 more source

Visual cycle-derived bisretinoids as endogenous natural products: enzyme-free formation, photochemical reactivity, and retinal degeneration.

Nat Prod Rep
Kim HJ, Sparrow JR, Jang YP.
europepmc   +1 more source

Functional Specialization of Respiratory and Olfactory Mucus Revealed by Proteomic Profiling

International Forum of Allergy &Rhinology, EarlyView.
ABSTRACT Background Mucus overlies the nasal mucosa in the respiratory and olfactory regions, which perform distinct physiological functions. However, proteomic differences between respiratory mucosa (RM) and olfactory cleft (OC) mucus remain unclear.
Anna Kristina Hernandez, Karoline Lantzsch, Romain Topalian, Nadine Gunder, Philipp Hubel, Katharina Schindowski, Jens Pfannstiel, Thomas Hummel   +7 more
wiley   +1 more source