Exploiting Molecular Complexity to Advance Nanostructural Design

利用分子复杂性推进纳米结构设计

• 批准号: 1961334
• 金额: --
• 依托单位: Imperial College London
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2017
• 资助国家: 英国
• 起止时间: 2017 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-1961334
• 关键词: Exploiting; Molecular; Complexity; Advance; Nanostructural

Understanding and controlling molecules that self-assemble into nanostructures is a top current grand challenge. More specifically, the design of new molecular architectures that are weaved together by non-covalent bonds, such as supramolecular hydrogels, as opposed to synthetic gels which are covalently linked conferring them properties that limit their use in biomedical fields. Some supramolecular gels show reversible phase transitions depending on the response to external stimuli. These switchable molecular nanostructures are expected to impact the next generation of materials in nano- and bio- technologies [2], as they have a wide range of applications ranging from drug delivery, biosensors, bio-scaffolds to tissue engineering and energy cells. Although there has been substantial progress in the area of supramolecular assemblies, there are still fundamental challenges such as the determination of rational-based properties such as the switching mechanisms or the final structural and dynamical characteristics of the assemblies [2]. The present proposal aims at a radical transformation in the analytical approach to design molecular self-assembly into complex nanostructures, with well-defined homogeneous biochemical properties, including novel biomaterials and switchable assemblies. The aim of this project is to optimise a powerful multiscale approach, that integrates NMR experiments and molecular dynamic simulations, tailoring this method to the study of the complex molecular interactions underlying self-assembly, stability and switchability of macromolecular nanostructures.Initially two applications of the method will drive the development of the project. The first application will focus on a biological process by which alpha-synuclein, a neuronal protein that has function in the trafficking of synaptic vesicles at the synapse [2], promotes the self-assembly of a matrix of synaptic vesicles and synaptic proteins [4]. We will look into the dynamics and mechanism of alpha-synuclein mediated assembly and fusion of synaptic vesicles. The second application will focus on the formation of supramolecular hydrogels based on host-guest interactions and how it is possible to characterise their properties such as the mechanism of formation, switchability, self-healing or shape memory.Taken together our aims include the development and application of an advanced multidisciplinary approach to advance our understanding and control of molecular self-assembly, which will generate knowledge and tools toward the design of the next generation of bio-nanomaterials.[1]: Shao, Y., Jia, H., Cao, T. and Liu, D., 2017. Supramolecular Hydrogels Based on DNA Self-Assembly. Accounts of Chemical Research, 50(4), pp.659-668.[2]: Dong, R., Pang, Y., Su, Y. and Zhu, X., 2015. Supramolecular hydrogels: synthesis, properties and their biomedical applications. Biomaterials science, 3(7), pp.937-954.

理解和控制自我组装成纳米结构的分子是当前的最高挑战。更具体地说，由非共价键（例如超分子水凝胶）编织在一起的新分子体系结构的设计，而不是共同连接的合成凝胶，这些凝胶将它们赋予它们在生物医学领域的使用。根据对外部刺激的反应，一些超分子凝胶显示出可逆的相变。这些可切换的分子纳米结构有望影响纳米和生物技术中的下一代材料[2]，因为它们具有广泛的应用，从药物递送，生物传感器，生物传感器，生物量表到组织工程和能量细胞。尽管超分子组件领域取得了长足的进步，但仍然存在基本挑战，例如确定基于理性的特性，例如开关机制或组件的最终结构和动力学特征[2]。本提案的目的是在分析方法中进行根本性转化，以将分子自组装设计为复杂的纳米结构，并具有明确定义的均质生化特性，包括新型的生物材料和可切换组件。该项目的目的是优化一种强大的多尺度方法，该方法整合了NMR实验和分子动态模拟，将这种方法定制为研究自组装的复杂分子相互作用，稳定性和大分子纳米结构的转换性。方法将推动项目的开发。第一个应用将重点放在生物学过程上，α-核蛋白是一种在突触[2]的突触囊泡运输中起作用的神经元蛋白，可促进突触囊泡和突触蛋白基质的自组装[4 ]。我们将研究α-突触核蛋白介导的组装和突触囊泡融合的动力学和机制。第二个应用程序将重点关注基于宿主 - 环境相互作用的超分子水凝胶的形成，以及如何表征其特性，例如形成机制，可切换性，自我修复或形状内存。采用先进的多学科方法来提高我们对分子自组装的理解和控制，这将为下一代生物纳米材料的设计产生知识和工具。[1]：Shao，Y.，Y.，Jia，H. Cao，T。和Liu，D.，2017年。基于DNA自组装的超分子水凝胶。化学研究帐户，50（4），第659-668页。[2]：Dong，R.，Pang，Y.，Su，Y。和Zhu，X.，2015年。超分子水凝胶：合成，性能及其性质及其性质及其性能生物医学应用。生物材料科学，3（7），第937-954页。