Issue 37, 2024

Designing antibacterial materials through simulation and theory

Abstract

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.

Graphical abstract: Designing antibacterial materials through simulation and theory

Article information

Article type
Review Article
Submitted
11 jun 2024
Accepted
11 aug 2024
First published
12 aug 2024

J. Mater. Chem. B, 2024,12, 9155-9172

Designing antibacterial materials through simulation and theory

J. Li, X. Jin, Z. Jiao, L. Gao, X. Dai, L. Cheng, Y. Wang and L. Yan, J. Mater. Chem. B, 2024, 12, 9155 DOI: 10.1039/D4TB01277A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements