Results 181 to 190 of about 6,001,926 (286)

Atmospheric Water Harvesting Through Polymer Hydrogel Sorbents: Materials Chemistry, Design Strategies, and Applications

open access: yesAdvanced Science, EarlyView.
Polymer‐based hydrogels have emerged as promising materials for atmospheric water harvesting (AWH) due to their high water affinity, tunable network structure, and excellent moisture adsorption‐desorption performance. Functional hydrogel systems enable efficient water capture and controlled release under low‐energy conditions, offering a sustainable ...
Swagata Datta   +6 more
wiley   +1 more source

A Unified Hierarchical Multiscale Fusion Framework for Drug–Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery

open access: yesAdvanced Science, EarlyView.
A multimodal fusion framework integrating sequence, atomic, and fragment representations captures drug–target interactions across multiple scales. The model delivers strong predictive performance and enables efficient virtual screening. Applied to hematopoietic progenitor kinase 1 (HPK1), it identifies structurally diverse inhibitors with nanomolar ...
Shuo Liu   +7 more
wiley   +1 more source

Structural Basis of Shiga Toxin Neutralization by Human Antibodies Targeting Canonical Receptor‐Binding and Non‐Canonical Assembly Sites

open access: yesAdvanced Science, EarlyView.
Cryo‐electron microscopy structures reveal two distinct neutralization mechanisms of fully human monoclonal antibodies targeting the Shiga toxin 1a B subunit. RDS059 occludes the Gb3 receptor‐binding site, whereas RDS045 engages a lateral quaternary epitope to disrupt holotoxin assembly.
Jianting Ke   +10 more
wiley   +1 more source

An Optimized Freeze‐Dry Multimodal Workflow for Sequential Micro‐CT Imaging, Histology, and Molecular Profiling: A Use Case in Human Liver Fibrosis

open access: yesAdvanced Science, EarlyView.
Optimized freeze‐drying and eosin staining deliver artifact‐free micro‐CT images of liver tissue at near‐histological detail, then hand the same specimen back for sectioning, staining, and sequencing. Fibrotic volume distinguishes normal liver from cirrhosis, while preserved RNA reveals inflammatory gene upregulation—one biopsy, three dimensions, and a
Kristijan Skok   +13 more
wiley   +1 more source

Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale

open access: yesAdvanced Science, EarlyView.
Quantum‐trained AI links molecular substructures to frontier‐orbital energetics and enables interpretable screening across nearly one billion GDB‐13 molecules. By combining fragment‐ and ring‐level insights with donor–acceptor energy alignment against ITIC, the framework narrows an immense chemical space to a small set of promising candidates and ...
Yeongnam Ko, Se Jin Kim, Ki Chul Kim
wiley   +1 more source

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