Results 131 to 140 of about 2,795,372 (389)
Defects Dynamic in Photo‐Excited CeO2 and their Influence on CO2 Photoreduction
Advanced Functional Materials, EarlyView.X‐ray photoelectron spectroscopy study under light excitation is presented to track the defect dynamic (Ce4+ to Ce3+) in CeO2. Surface enhanced Raman spectroscopy confirmed the key role of Ce3+ states in controlling charge and energy transfer across the CeO2‐dye molecule interface.
Rambabu Yalavarthi +3 more
wiley +1 more source
Advanced Functional Materials, EarlyView.This review discusses cellulose‐based hydrogels technology, analyzes their application progress in physiological signal monitoring, and explores the effects of pretreatment, crosslinking, and molding methods on gel performance, to provide valuable insights into the efficient utilization of plant fibers and the environmentally friendly development of ...
Zhiming Wang +8 more
wiley +1 more source
Computational Modeling of Reticular Materials: The Past, the Present, and the Future
Advanced Materials, EarlyView.Reticular materials are advanced materials with applications in emerging technologies. A thorough understanding of material properties at operating conditions is critical to accelerate the deployment at an industrial scale. Herein, the status of computational modeling of reticular materials is reviewed, supplemented with topical examples highlighting ...
Wim Temmerman +3 more
wiley +1 more source
Virtual screening on large scale grids
Parallel Computing, 2007 Large scale grids for in silico drug discovery open opportunities of particular interest to neglected and emerging diseases. In 2005 and 2006, we have been able to deploy large scale virtual docking within the framework of the WISDOM initiative against malaria and avian influenza requiring about 100 years of CPU on the EGEE, Auvergrid and TWGrid ...
Jacq Nicolas +18 more
openaire +5 more sources
Advanced Materials, EarlyView.This work explores the MOF landscape to select a single, optimal candidate for successfully delivering cancer drugs (gemcitabine, paclitaxel, SN‐38) into tough pancreatic tumors. Machine learning and simulations guide this search, demonstrating colloidal stability, excellent biocompatibility, cellular uptake, and sustained release.
Francesca Melle +9 more
wiley +1 more source
Journal of Chemical Information and Modeling, 2019 Reports of successful applications of machine learning (ML) methods in structure-based virtual screening (SBVS) are increasing. ML methods such as convolutional neural networks show promising results and often outperform traditional methods such as ...
Jochen Sieg +2 more
semanticscholar +1 more source
Adsorption and Separation by Flexible MOFs
Advanced Materials, EarlyView.Flexible metal–organic frameworks (MOFs) present significant potential for gas storage and separation due to their structural dynamic. This review explores the rationale behind the flexible MOFs' enhanced working capacity and separation factors. It also addresses key challenges, including phase transition kinetics, crystal robustness, cycling, shaping,
Irena Senkovska +4 more
wiley +1 more source
Charting a Path to Success in Virtual Screening
Molecules, 2015 Docking is commonly applied to drug design efforts, especially high-throughput virtual screenings of small molecules, to identify new compounds that bind to a given target.
Stefano Forli
doaj +1 more source
Cottonseed‐Derived Reusable Bio‐Carbon Gel Ink for DIW Printing Soft Electronic Textiles
Advanced Materials, EarlyView.A reusable carbon‐gel ink, incorporating cottonseed peptone as a natural mediator, enables cross‐linked ionic polymer networks for advanced conductivity, stability, and biocompatibility. Compatible with direct‐ink‐writing, it facilitates flexible electronics on polymeric and textile substrates for multifunctional applications, including motion sensing,
King Yan Chung +7 more
wiley +1 more source