Design of functional chitosan films: antimicrobial and heavy metal capture applications

研究背景壳聚糖是一种可生物降解的高分子材料，来源丰富，可再生。Cuantec有限公司是一家总部位于格拉斯哥的生物技术公司，它开发了一种独特的生物工艺，从渔业加工产生的废物中提取甲壳素，并从中生产壳聚糖。壳聚糖作为抗菌剂的应用以及其从污染水中捕获重金属的能力一直是许多研究的焦点（参见综述[1-3]）。为了赋予机械强度，壳聚糖可以作为薄膜沉积在支撑基底上，其可以是纳米颗粒、纤维或大表面积材料的形式。为了优化这些壳聚糖膜的功能，需要对壳聚糖和基材之间相互作用的性质有基本的了解。该项目的目的是使用分子建模提供这种见解，从而设计，制造和测试具有巨大技术应用潜力的新功能涂层。目的和目标我们的目标是设计功能性壳聚糖薄膜和涂层，可用于生物可降解抗菌湿巾等应用，并用于重金属回收。我们通过研究壳聚糖在具有不同化学性质的材料表面上的吸附来做到这一点，以优化薄膜结构并确定用于特定应用的最有效基质。此外，这些设计将在我们的实验室进行实验测试，然后在工业布局期间使用Cuantec的设施创建原型产品。因此，目标是：-模拟壳聚糖吸附到各种材料基板上具有不同的表面化学;-模拟吸附的重金属到薄膜上，并设计pH值响应的恢复程序;-设计，测试和优化基板壳聚糖结构-抗菌应用-重金属回收;-开发原型系统的商业开发。

BackgroundChitosan is a biodegradable polymer obtained from natural, abundant and renewable sources. Cuantec Ltd is a Glasgow-based biotech company that has developed a unique biological process to extract chitin from the waste produced by fishery processing, from which it makes chitosan. Chitosan has been the focus of much research into its applications as an antimicrobial, and for its ability to capture heavy metals from contaminated water (see the reviews [1-3]). To impart mechanical strength, chitosan can be deposited as a thin film onto a supporting substrate, which might be in the form of nanoparticles, fibres, or large surface-area materials. In order to optimise the functionality of these chitosan films, a fundamental understanding of the nature of the interactions between the chitosan and the substrate is required. It is the purpose of this project to provide this insight using molecular modelling, and hence design, manufacture and test new functional coatings with tremendous potential for technological applications. Aims and ObjectivesWe aim to design functional chitosan films and coatings that can be utilised in applications such as biodegradable antimicrobial wipes, and for heavy metal recovery. We do this by studying the adsorption of chitosan onto material surfaces with differing chemistries, in order to optimise the film structure and identify the most effective substrates to use for a particular application. Furthermore, the designs will be tested experimentally in our laboratories, before creating a prototype product using Cuantec's facilities during the industrial placement. The objectives are therefore:-To simulate the adsorption of chitosan onto various material substrates with varying surface chemistry;-To simulate the adsorption of heavy metals onto the films, and design pH-responsive recovery procedures;-To design, test and optimise substrate-chitosan structures for - antimicrobial applications- heavy metal recovery;-To develop prototype systems for commercial development.