Results 201 to 210 of about 975,938 (292)

Machine Learning for Green Solvents: Assessment, Selection and Substitution

open access: yesAdvanced Science, EarlyView.
Environmental regulations have intensified demand for green solvents, but discovery is limited by Solvent Selection Guides (SSGs) that quantify solvent sustainability. Training a machine learning model on GlaxoSmithKline SSG, a database of sustainability metrics for 10,189 solvents, GreenSolventDB is developed. Integrated with Hansen solubility metrics,
Rohan Datta   +4 more
wiley   +1 more source

Spectral Decomposition of Chemical Semantics for Activity Cliffs‐Aware Molecular Property Prediction

open access: yesAdvanced Science, EarlyView.
PrismNet mimics chemical intuition by functioning as a computational prism, refracting molecular graphs into complementary semantic views and spectral frequencies. This dual‐decomposition strategy effectively captures both global topologies and subtle “activity cliff” perturbations.
Chaoyang Xie   +9 more
wiley   +1 more source

H⁺ Exchange‐Driven ppb‐Level and High‐Selective Formaldehyde Detection at Room Temperature for Environmental and Clinical Applications

open access: yesAdvanced Science, EarlyView.
This article presents an innovative room‐temperature formaldehyde sensor based on H⁺ exchange method, achieving ppb‐level detection limit and exceptional selectivity. The study highlights its practical potential for real‐time environmental monitoring and clinical diagnostic applications.
Lubing Cai   +9 more
wiley   +1 more source

AI‐Based D‐Amino Acid Substitution for Optimizing Antimicrobial Peptides to Treat Multidrug‐Resistant Bacterial Infection

open access: yesAdvanced Science, EarlyView.
This study constructed the first D‐amino acid antimicrobial peptide dataset and developed an AI model for efficient screening of substitution sites, with 80% of candidate peptides showing enhanced activity. The lead peptide dR2‐1 demonstrated potent antimicrobial activity in vitro and in vivo, high stability, and low toxicity.
Yinuo Zhao   +14 more
wiley   +1 more source

Piezo‐Phototronic PVDF/HfO2/Nano‐Cu Heterostructured Thin Film for Flexible Self‐Powered Multimodal Sensing

open access: yesAdvanced Science, EarlyView.
Electrospinning a composite of PVDF, HfO2, and nano‐Cu transforms the discrete precursors into a continuous nanofiber mesh, forming a multi‐interface heterostructure with embedded nanoparticles. The presence of HfO2 and nano‐Cu at the fiber interfaces induces a highly aligned β‐phase, which enhances piezoelectric crystallinity and improves the material'
Jiawei Gu   +9 more
wiley   +1 more source

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