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RNA can fold to form complex three-dimensional tertiary structures, with large roles in RNA biology. However, accurate discovery of motifs that form true tertiary structures remains an unsolved challenge. Here we demonstrate that at rare but distinctive sites, RNA tertiary folding creates electronegative pockets that undergo selective chemistry with a small positively-charged chemical probe, trimethyloxonium (TMO).

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Biophysical investigations of the membrane interactions of collagen VI-derived host defense peptides.

Biochim Biophys Acta Biomembr

August 2025

University of Strasbourg / CNRS, UMR7177, Chemistry Institute, 67000 Strasbourg, France; Institut Universitaire de France, 75005 Paris, France. Electronic address:

Collagen VI is an extracellular matrix protein forming complex microfibrillar networks in connective tissues. Specifically, we focused on its role in innate immunity, in particular on cationic sequence motifs from the α3(VI)-chain, which exhibit strong antibacterial properties against both Gram-positive and Gram-negative bacteria in vitro and in vivo. Cytotoxicity assays revealed minimal to no adverse effects, even at concentrations effective against bacterial pathogens.

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The contribution analysis of influencing factors governing biochar-mediated heavy metal adsorption in aqueous systems holds significant implications for cost-effective water remediation. Current studies predominantly rely on single-model approaches to identify critical variables, which may introduce bias due to inherent model assumptions, thereby impeding systematic elucidation of impact mechanisms and variable interactions. To address this gap, we integrated twelve machine learning models with SHAP (Shapley Additive exPlanations) interpretation to holistically investigate determinants and key variables.

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Dual-channel surface-enhanced Raman spectroscopy integrated with machine learning for accurate classification of mixed dyes.

Spectrochim Acta A Mol Biomol Spectrosc

August 2025

State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China; University of Chinese Academy of Sciences, Beijing, China. Electronic address:

Surface-enhanced Raman spectroscopy (SERS) has emerged as a powerful analytical tool for dye monitoring in environmental waters; however, challenges remain in resolving complex mixtures due to spectral overlap and limited signal reproducibility. To address this issue, a dual-channel SERS system integrated with machine learning (ML) was developed. Positively and negatively charged polyelectrolyte-modified FeO@SiO-Au substrates were employed for the selective detection of anionic and cationic dyes, respectively.

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Integrative Computational Approaches for TRPV1 Ion Channel Inhibitor Discovery: An Integrated Machine Learning, Drug Repurposing and Molecular Simulation Approach.

J Chem Inf Model

September 2025

Laboratorio de Bioinformática y Química Computacional, Departamento de Medicina Traslacional, Facultad de Medicina, Universidad Católica del Maule, Talca 3480094, Chile.

The transient receptor potential vanilloid 1 (TRPV1) ion channel is a key mediator of pain and inflammation, making it a crucial target for developing new analgesics. Despite progress in understanding TRPV1's role, novel modulators that effectively inhibit nociceptive transduction are needed. Additionally, robust drug design protocols capable of exploring vast chemical space remain imperative.

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