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

背景壳聚糖是一种从天然、丰富和可再生资源中获得的可生物降解的聚合物。Cuantec Ltd是一家总部位于格拉斯哥的生物技术公司，该公司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，并从中制取壳聚糖。壳聚糖作为抗菌剂的应用以及从受污染的水中捕获重金属的能力一直是许多研究的重点(见综述[1-3])。为了提高机械强度，可以将壳聚糖作为薄膜沉积在支撑基质上，该支撑基质可以是纳米颗粒、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，需要对壳聚糖与底物之间相互作用的性质有一个基本的了解。该项目的目的是利用分子模型提供这种洞察力，从而设计、制造和测试具有巨大技术应用潜力的新型功能涂层。目的和目的我们的目标是设计功能性壳聚糖膜和涂层，可用于可生物降解的抗菌湿巾和重金属回收等应用。我们通过研究壳聚糖在不同化学成分的材料表面的吸附来实现这一点，以优化膜结构并确定最有效的底物用于特定应用。此外，这些设计将在我们的实验室进行实验测试，然后在工业贴装期间使用Cuantec的设施创建原型产品。因此，我们的目标是：-模拟壳聚糖在不同表面化学成分的不同材料基质上的吸附；-模拟重金属在薄膜上的吸附，并设计对pH响应的回收程序；-设计、测试和优化基质-壳聚糖结构，以用于抗菌应用-重金属回收；-开发用于商业开发的原型系统。

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.