{"title":"Antibacterial mechanism of hydrophobic deep eutectic solvents-in-water nanoemulsion: experimental and molecular dynamic simulation studies","authors":"Benyang Li, Meng Shi, Si Qin, Chaoxi Zeng","doi":"10.1007/s11694-025-03192-y","DOIUrl":null,"url":null,"abstract":"<div><p>Fatty acids-based hydrophobic deep eutectic solvents (HDESs) have broad-spectrum antimicrobial activity. However, there is a lack of systematic studies on their antimicrobial mechanism at both experimental and molecular levels. In this work, we utilized hexanoic acid (HEA) and L-menthol (LST) to form HDES, and prepared HDES-in-water nanoemulsion, which is stable and effective in inhibiting the growth of <i>E. coli</i>. On this basis, we systematically investigated the antimicrobial mechanism of HDES against <i>E. coli</i>, examining the fluidity, integrity and permeability of cell membrane, morphological analysis of <i>E. coli</i> and molecular dynamics (MD) simulations. The results showed that HDES could decrease cell membrane fluidity and increase cell membrane permeability, which was further supported by MD simulations. In addition, HEA and LST can insert into the cell membrane, causing destabilization of the phospholipid bilayer, reduction of the membrane thickness, and disruption of the integrity of the cell membrane, leading to the efflux of intracellular material, which further promotes antimicrobial activity. The present work is important for the development of HDES-based natural antimicrobial agents to meet the increasing food safety challenges.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":631,"journal":{"name":"Journal of Food Measurement and Characterization","volume":"19 5","pages":"3429 - 3443"},"PeriodicalIF":2.9000,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Food Measurement and Characterization","FirstCategoryId":"97","ListUrlMain":"https://link.springer.com/article/10.1007/s11694-025-03192-y","RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"FOOD SCIENCE & TECHNOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
Fatty acids-based hydrophobic deep eutectic solvents (HDESs) have broad-spectrum antimicrobial activity. However, there is a lack of systematic studies on their antimicrobial mechanism at both experimental and molecular levels. In this work, we utilized hexanoic acid (HEA) and L-menthol (LST) to form HDES, and prepared HDES-in-water nanoemulsion, which is stable and effective in inhibiting the growth of E. coli. On this basis, we systematically investigated the antimicrobial mechanism of HDES against E. coli, examining the fluidity, integrity and permeability of cell membrane, morphological analysis of E. coli and molecular dynamics (MD) simulations. The results showed that HDES could decrease cell membrane fluidity and increase cell membrane permeability, which was further supported by MD simulations. In addition, HEA and LST can insert into the cell membrane, causing destabilization of the phospholipid bilayer, reduction of the membrane thickness, and disruption of the integrity of the cell membrane, leading to the efflux of intracellular material, which further promotes antimicrobial activity. The present work is important for the development of HDES-based natural antimicrobial agents to meet the increasing food safety challenges.
期刊介绍:
This interdisciplinary journal publishes new measurement results, characteristic properties, differentiating patterns, measurement methods and procedures for such purposes as food process innovation, product development, quality control, and safety assurance.
The journal encompasses all topics related to food property measurement and characterization, including all types of measured properties of food and food materials, features and patterns, measurement principles and techniques, development and evaluation of technologies, novel uses and applications, and industrial implementation of systems and procedures.