Developing the application of the crystal sponge technique

水晶海绵技术应用开发

• 批准号: 2445911
• 金额: --
• 依托单位: University of Southampton
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2020
• 资助国家: 英国
• 起止时间: 2020 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2445911
• 关键词: Developing; application; crystal; sponge; technique

The Crystal Sponge approach soaks an uncrystallisable compound eg an oil, into a porous crystal - the combined crystal structure of the host and 'uncrystallisable' guest can then be determined. This approach has been adopted by the pharmaceutical industry but not taken up in academia. This PhD will explore the feasibility of applying this approach to entirely new areas of research that otherwise would not have considered the use of crystallography. The studentship sits in the middle of an industry-academia project (Merck & Rigaku with UoS) to explore he academic applicability of the technique, an EPSRC Impact Acceleration Account project to engage new user communities and the establishment of this technique as part of the National Crystallography Service offering.The studentship will firstly explore new application areas for the technique with the commercially available crystal sponge. This will begin through collaboration with UoS research groups in molecular machines and supramolecular chemistry (Goldup) and organic synthesis (Linclau, Harrowven, Brown & Whitby) and ultimately spread further in the chemistry department (Chemical Biology section) and wider than UoS through these group contacts. The studentship will go on to investigate purity requirements for the technique and develop a methodology and protocol for routinely preparing an 'as provided' sample for soaking into a sponge.Having acquired a library of crystal sponge structures, the truly ambitious aspect of the project will look at energy calculations to understand interaction between host and guest so that mechanisms of adsorption can be postulated and new sponges designed.

晶体海绵进料将不结晶的化合物浸泡到多孔晶体中 - 宿主的组合结构和“不可固化”的宾客可以确定来确定来宾。这种方法已被制药行业采用，但在学术界不采用这种方法。该博士将探索将这种方法应用于全新的研究领域的可行性，否则这些方法将不会考虑使用晶体学。这些学生位于一个行业 - academia项目（与UOS的Merck＆Rigaku）中间，以探索该技术的学术适用性，EPSRC Impact Impact Ackit Acceleration Accellation帐户项目可以参与新的用户社区，并建立该技术作为国家晶体学服务的一部分。这将从分子机器和超分子化学（GoldUp）和有机合成（Linclau，Harrowven，Brown＆Whitby）的UOS研究小组合作开始，并最终在化学部（化学生物学部门）中进一步扩散，并且通过这些组通过这些组触点而宽。该学生奖学金将继续研究该技术的纯度要求，并开发一种方法和协议，以常规准备“提供”样品，以浸泡到海绵中。购买了一个水晶海绵结构库，该项目的真正雄心勃勃的方面将着眼于能量计算，以了解主机与客人之间的互动，以了解座位和宾客之间的互动。