Understanding Nanoscale Interactions between Minerals and Microbes: Opportunities for Green Remediation of Contaminated Sites

T Cao, Y Liu, C Gao, Y Yuan, W Chen… - … Science & Technology, 2024 - ACS Publications
In situ contaminant degradation and detoxification mediated by microbes and minerals is an
important element of green remediation. Improved understanding of microbe–mineral …

Bacillus subtilis fermented shrimp waste isolated peptide, PVQ9, and its antimicrobial mechanism on four Gram-positive foodborne bacteria

W Tao, W Li, JJ Aweya, R Lin, R Jin, D Liang, Z Ren… - Food …, 2025 - Elsevier
Bacillus subtilis produces proteases that hydrolyze proteins to produce bioactive peptides.
Given the mounting waste from processed shrimp, the antimicrobial potential of peptides …

[HTML][HTML] In Vitro In Silico Screening Strategy and Mechanism of Novel Tyrosinase Inhibitory Peptides from Nacre of Hyriopsis cumingii

H Lin, F Li, J Kang, S Xie, X Qin, J Gao, Z Chen, W Cao… - Marine Drugs, 2024 - mdpi.com
For thousands of years, pearl and nacre powders have been important traditional Chinese
medicines known for their skin whitening effects. To prepare the enzymatic hydrolysates of …

Revealing the off-flavors in hydro-distilled essential oils of sweet orange (Citrus sinensis) by flavoromics strategy and computational simulation

Q Zhao, Z Li, K Zhang, X Deng, G Wang, Z Ye, M Liu… - Food Chemistry, 2025 - Elsevier
Citrus essential oils (EOs) are renowned for their aroma, but thermal extraction methods can
introduce undesirable cooking and pungent odors. The specific compounds responsible for …

Broad-spectrum detection of benzimidazoles with lateral flow immunoassay: A computational chemistry-assisted hapten design strategy and explore of molecular …

J Yin, S Yu, X Mei, Z Chen, J Peng, W Lai - Journal of Hazardous Materials, 2024 - Elsevier
Benzimidazoles (BMZs) are a class of veterinary drugs with a benzimidazole ring, the abuse
of which poses a serious threat to ecological balance and human health. Consequently, the …

Development of receptor desolvation scoring and covalent sampling in DOCK 6: methods evaluated on a RAS test set

YS Tan, M Chakrabarti, RM Stein… - Journal of Chemical …, 2024 - ACS Publications
Molecular docking methods are widely used in drug discovery efforts. RAS proteins are
important cancer drug targets, and are useful systems for evaluating docking methods …

Ultrasound-laccase pre-treatment enhances agarwood essential oil extraction and bioactivity

S Ma, Y Chen, T Yan, J Qin, G Li - International Journal of Biological …, 2025 - Elsevier
Agarwood essential oil is prized for its elegant aroma and pharmacological properties;
however, the traditional hydrodistillation method suffers from inefficiencies, constraining the …

Characterization of perceptual interactions among aroma compounds found in Rose damascena and Angelica dahurica root essential oil with threshold, S-curve, σ-τ …

W Yuan, G Yu, G Zhu, F Yi - Food Research International, 2025 - Elsevier
The study investigated the perceptual interaction between two types of Rose damascena
essential oil and two types of Angelica dahurica root essential oil. Using gas …

In silico screening and in vivo experimental validation of 15-PGDH inhibitors from traditional Chinese medicine promoting liver regeneration

C Feng, C Qiao, W Ji, H Pang, L Wang, Q Feng… - International Journal of …, 2024 - Elsevier
Abstract The enzyme 15-hydroxyprostaglandin dehydrogenase (15-PGDH), which acts as a
negative regulator of prostaglandin E2 (PGE2) levels and activity, represents a promising …

Estimation of Ligand Binding Free Energy Using Multi-eGO

B Stegani, E Scalone, FB Toplek, T Lohr… - Journal of Chemical …, 2024 - ACS Publications
The computational study of ligand binding to a target protein provides mechanistic insight
into the molecular determinants of this process and can improve the success rate of in silico …