Results 91 to 100 of about 342,372 (241)

Drug-Target Residence Time Affects in Vivo Target Occupancy through Multiple Pathways

open access: yes, 2019
The drug discovery and development process is greatly hampered by difficulties in translating in vitro potency to in vivo efficacy. Recent studies suggest that the long-neglected drug-target residence time parameter complements classical drug affinity ...
Bruce D. Hammock (65754)   +9 more
core   +1 more source

Human Gut Bacteria and Lipidic Nanoparticles: Particle Composition Predicts Structural Transformation and Bacterial Biocompatibility

open access: yesAdvanced Functional Materials, EarlyView.
Lipidic nanoparticles (LNPs) were incubated with 21 gut bacteria frequently associated with the human microbiome. SAXS revealed that ∼75% of tested species induced structural transformations in monoolein LNPs, whereas phytantriol and phospholipid formulations remained unaffected.
Jonathan Caukwell   +7 more
wiley   +1 more source

Receptor‐Free Identification of Toxic Gases Enabled by Hygroscopic Aqueous Salt Films

open access: yesAdvanced Functional Materials, EarlyView.
Water as a gas sensor coating sounds impossible—until it stops evaporating. Here, hygroscopic salt solutions (LiCl, LiBr, H3PO4) form non‐drying aqueous films on CNT chemiresistors under ambient air. Gases partition into these liquid layers, sometimes transforming into water, and generate salt‐specific resistance fingerprints across a four‐channel ...
Seongwoo Lee   +5 more
wiley   +1 more source

Exploring an Alternative to mRNA Vaccine Cold Chain Storage: MRNA‐Lipid Nanoparticle Stability When Dried in a Polymer Matrix

open access: yesAdvanced Functional Materials, EarlyView.
The nanostructure, size, and function of mRNA‐loaded lipid nanoparticles are evaluated before drying, within polymer microneedles, and after rehydration. The results reveal the polymer and LNP loadings required to recover nanostructure and preserve the delivery performance in dry‐state formulations.
Brendan P. Dyett   +19 more
wiley   +1 more source

Near‐Infrared Light‐Driven Zn/Au Janus Micromotors for Multiplex SERS Detection of Anticancer Drugs

open access: yesAdvanced Functional Materials, EarlyView.
Zn/Au Janus micromotors, propelled by thermophoretic effects under NIR light, function as active SERS platforms for single and multiplex detection of anticancer drugs. Their dynamic motion enhances analyte exchange at the Au interface, reducing saturation and competitive adsorption, thereby improving sensitivity and extending the linear detection range.
Tijana Maric   +8 more
wiley   +1 more source

GraphCL-DTA: a graph contrastive learning with molecular semantics for drug-target binding affinity prediction

open access: yes, 2023
Drug-target binding affinity prediction plays an important role in the early stages of drug discovery, which can infer the strength of interactions between new drugs and new targets. However, the performance of previous computational models is limited by
Chu, Jian, Yang, Genke, Yang, Xinxing
core  

Dynamic Interfacial Chemistry of Choline Chloride as Electrolyte Additive for Stable Zn‐Iodine Batteries

open access: yesAdvanced Functional Materials, EarlyView.
Choline chloride (ChCl) additive enables dynamic interface engineering in Zn‐I2 batteries by forming hydrophobic polyiodide complexes and a Zn‐stabilizing Ch+‐rich layer under electric field modulation. This dual‐function strategy suppresses iodine hydrolysis and dendrite formation, while optimizing Zn2+ solvation and transport for high‐efficiency ...
Xiaoyu Bi   +16 more
wiley   +1 more source

A Molecular Shielding Strategy to Develop Low Protein Binding, Renal Clearable Pan‐Cancer Near‐Infrared Probes

open access: yesAdvanced Functional Materials, EarlyView.
A molecular shielding strategy to convert “protein‐sticky” and “non‐tumor specific” clinical ICG dye, into a “low protein binding” and “tumor‐targeting” dye with prolonged blood circulation and renal clearance is described. These shielded ICGs demonstrate strong tumor accumulation and optimal tissue clearance, resulting in high tumor‐to‐background ...
Li Xiang   +9 more
wiley   +1 more source

GRAM: A True Null Model for Relative Binding Affinity Predictions

open access: yes, 2019
Relative binding affinity prediction is a critical component in computer aided drug design. Significant amount of effort has been dedicated to developing rapid and reliable in silico methods.
Alan P., Graves   +2 more
core   +1 more source

A Dual‐Functional Electrolyte Additive for Highly Reversible Zinc‐Ion Batteries

open access: yesAdvanced Functional Materials, EarlyView.
This study introduces tetrabutylammonium bromide (TBAB) as a dual‐function additive for aqueous zinc‐ion batteries. TBAB disrupts the hydrogen‐bond network of water while TBA+ adsorbs on Zn to improve interfacial wettability and regulate Zn2+ flux, resulting in suppressed dendrite growth and parasitic reactions. This synergy extended the lifespan of Zn|
Shirui Zhang   +9 more
wiley   +1 more source

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