Results 101 to 110 of about 40,265 (264)
Advanced Intelligent Discovery, EarlyView.The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy +8 more
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi +2 more
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.Deep Potential model switching accelerates molecular dynamics by using a faster 4 Å model for most timesteps and periodically applying a high‐accuracy 6 Å model. Validation on solid TiO2 and liquid PEG shows preserved RDF correlations and stable NPT behavior, while NVE energy‐drift analyses identify cases requiring additional validation.
Ryuya Kanda +6 more
wiley +1 more source
Modified Titanium Dental Implants: The Current Progress of Soft‐Tissue Integration Methods
Advanced NanoBiomed Research, EarlyView.Dental implants are an established solution for tooth loss, yet achieving soft tissue integration (STI) around the transmucosal region remains a challenge. The natural tooth–gingiva interface is poorly replicated on titanium implants. This review explores surface modification strategies, ranging from surface chemistry and topography to biological ...
Daniel De Maria +5 more
wiley +1 more source
Journal of the American Oil Chemists' Society, EarlyView.ABSTRACT Plants are important sources of bioactive compounds that contribute to nutrition, health maintenance, and disease prevention. In this study, the chemical composition and antioxidant potential of essential oils obtained from Lavandula angustifolia “Sevtopolis” and Lavandula × intermedia cultivated in the Silivri region of Istanbul were ...
Bilge Bicak +4 more
wiley +1 more source
Applications in Plant Sciences, EarlyView.Abstract Premise In North America, Phragmites australis (common reed) has drawn a great deal of research attention. Non‐native P. australis subsp. australis is a noxious weed that has locally displaced native P. australis subsp. americanus in some areas.
Nicholas P. Tippery +8 more
wiley +1 more source
Biotechnology and Applied Biochemistry, EarlyView.ABSTRACT Effective vaccines against Trypanosoma cruzi, the causative agent of Chagas disease, are urgently needed. Here, we report the design and in silico validation of a novel multiepitope vaccine construct targeting the key surface proteins ASP‐2 and gp82. Using a comprehensive immunoinformatics pipeline, we identified and selected 38 potent T‐cell (
Maria Karolaynne da Silva +8 more
wiley +1 more source
Harnessing plant‐based platform for low‐cost cellulosic sugar recovery from bioenergy crops
Biofuels, Bioproducts and Biorefining, EarlyView.Abstract The price of pure cellulase enzyme for the recovery of fermentable cellulosic sugars is one of the major challenges that limit the commercialization of second‐generation biofuels and bio‐based products. This work shows a means to greatly reduce the cost of cellulases. The abundant capacity of plants to synthesize and hyperaccumulate transgenic
Shraddha Maitra +4 more
wiley +1 more source