State Key Laboratory of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.
J Mater Chem B. 2024 Sep 25;12(37):9155-9172. doi: 10.1039/d4tb01277a.
Antibacterial materials have a wide range of potential applications in bio-antimicrobial, environmental antimicrobial, and food antimicrobial fields due to their intrinsic antimicrobial properties, which can circumvent the development of drug resistance in bacteria. Understanding the intricate mechanisms and intrinsic nature of diverse antibacterial materials is significant for the formulation of guidelines for the design of materials with rapid and efficacious antimicrobial action and a high degree of biomedical material safety. Herein, this review highlights the recent advances in investigating antimicrobial mechanisms of different antibacterial materials with a particular focus on tailored computer simulations and theoretical analysis. From the view of structure and function, we summarize the characteristics and mechanisms of different antibacterial materials, introduce the latest advances of new antibacterial materials, and discuss the design concept and development direction of new materials. In addition, we underscore the significance of employing simulation and theoretical methodologies to elucidate the intrinsic antimicrobial mechanisms, which is crucial for a comprehensive comprehension of the control strategies, safer biomedical applications, and the management of health and environmental concerns associated with antibacterial materials. This review could potentially stimulate further endeavors in fundamental research and facilitate the extensive utilization of computational and theoretical approaches in the design of novel functional nanomaterials.
抗菌材料由于其内在的抗菌特性，在生物抗菌、环境抗菌和食品抗菌领域有广泛的潜在应用，可避免细菌产生耐药性。了解不同抗菌材料的复杂机制和内在性质，对于制定具有快速、高效抗菌作用和高度生物医学材料安全性的材料设计指南具有重要意义。本文重点介绍了不同抗菌材料抗菌机制的研究进展，特别关注定制的计算机模拟和理论分析。从结构和功能的角度，我们总结了不同抗菌材料的特点和机制，介绍了新型抗菌材料的最新进展，并讨论了新材料的设计理念和发展方向。此外，我们强调了运用模拟和理论方法来阐明内在抗菌机制的重要性，这对于全面理解控制策略、更安全的生物医学应用以及与抗菌材料相关的健康和环境问题的管理至关重要。本文的综述可能会激发抗菌材料基础研究领域的进一步研究，并促进计算和理论方法在新型功能纳米材料设计中的广泛应用。
