CAREER: Molecular Design of Electrochemically-Mediated Systems for Isomeric Separations

职业：用于异构体分离的电化学介导系统的分子设计

基本信息

批准号：
1942971
负责人：
Xiao Su
金额：
$ 52.34万
依托单位：
University of Illinois at Urbana-Champaign
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2020
资助国家：
美国
起止时间：
2020-02-01 至 2025-01-31
项目状态：
未结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1942971&HistoricalAwards=false
关键词：
CAREER Molecular Design Electrochemically Mediated

项目摘要

Selective separation of biologically-active molecules from the liquid-phase can be one of the most expensive steps in pharmaceutical and biochemical manufacturing. Isomers are molecules that have the same atom composition but differ in structural arrangement, and enantiomers are isomers that are non-superimposable mirror images of each other. Isomeric purification can be an extremely difficult separation process. Over the past decade, more than half of drugs were marketed as enantiomers, including therapeutics for cancer, AIDS, neurologic diseases, and arthritis. While one enantiomer often provides superior clinical performance, the opposite enantiomer can be potentially toxic. Electrochemical approaches offer a fundamentally new avenue to enhance molecular selectivity in isomeric separations. In particular, the careful design of electro-adsorbents can dramatically increase separation factors towards valuable enantiomers, improve the rate of the separation process, and minimize chemical and solvent use. By developing selective electrochemically-active interfaces, this project is expected to provide new technologies for small molecule separations and fine chemical purification and contribute to long-term sustainability in chemical manufacturing and processing. The investigator also seeks to impact the broader community through closely aligned outreach activities, incorporating educational activities and mentorship across graduate, undergraduate, and K-12 education. Educational goals involve the creation of in-class modules to translate concepts of separation processes to society and increase inclusion of underrepresented minorities and women in STEM. The investigator also seeks to establish a pipeline for peer-mentoring and international exchange, which will raise global awareness of sustainability in the chemical industry and environment and train the next generation of chemical engineers.This project aims to develop electrochemically-mediated approaches for isomeric separations, both of structural isomers and enantiomers. Enantioselective separations in particular are tremendously challenging owing to the similarity in size, shape, chemical functionalities, and structures between enantiomers. Molecular-level design is required for the discovery and development of new technologies for isomer separations. The investigator seeks to create selective electrochemical interfaces through a combination of computational screening, spectroscopic measurements of binding interaction, and synthetic control. By tuning redox processes with electroresponsive polymers, stereoselective interactions will be tailored through a combination of steric effects, charge-transfer interactions, and electrostatics; the goal of which is to achieve reversible binding to valuable complex ions such as bioactive and pharmaceutical molecules. The project is expected to provide fundamental understanding of supramolecular interactions, elucidate electrochemically-driven mechanisms for separation, and provide rational design principles for effective discrimination of general classes of enantiomers. The outcomes of this project are expected to broadly impact separation science by introducing new field-assisted concepts to chromatographic and adsorption-based technologies.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

选择性分离生物活性分子与液相分子可能是药物和生化制造中最昂贵的步骤之一。异构体是具有相同原子组成但结构排列不同的分子，而对映异构体是彼此不可感染的镜像图像的异构体。异构体纯化可能是一个极其困难的分离过程。在过去的十年中，将超过一半的药物作为对映异构体销售，包括用于癌症，艾滋病，神经疾病和关节炎的治疗剂。虽然一种对映异构体通常提供出色的临床性能，但相反的对映异构体可能具有毒性。电化学方法为提高异构体分离的分子选择性提供了根本上新的途径。特别是，仔细的电吸附剂设计可以大大增加对有价值的对映异构体的分离因子，提高分离过程的速率，并最大程度地减少化学和溶剂的使用。通过开发选择性的电化学活性界面，该项目有望为小分子分离和精细的化学净化提供新技术，并有助于化学制造和加工的长期可持续性。研究人员还试图通过紧密一致的外展活动来影响更广泛的社区，并在研究生，本科和K-12教育中纳入教育活动和指导。教育目标涉及创建课堂模块，以将分离过程的概念转化为社会，并增加代表性不足的少数民族和妇女的纳入STEM。研究人员还试图建立一条用于同行和国际交流的管道，这将提高化学工业和环境中的可持续性认识，并训练下一代化学工程师。该项目旨在开发电化学介导的方法进行等异构分离的方法，包括结构性异构体和敌人。特别是由于大小，形状，化学功能和对映异构体之间的结构的相似性，特别是对映选择性分离的挑战。分子级设计是针对异构体分离的新技术的发现和开发所必需的。研究者试图通过计算筛选，结合相互作用的光谱测量和合成控制来创建选择性的电化学接口。通过用电响应聚合物调整氧化还原过程，将通过空间效应，电荷转移相互作用和静电的结合来定制立体选择性相互作用。其目的是实现与有价值的复合离子（例如生物活性和药物分子）的可逆结合。预计该项目将提供对超分子相互作用的基本理解，阐明电化学驱动的分离机制，并提供有效歧视对映异构体一般类别的合理设计原理。预计该项目的结果将通过向基于色谱和吸附的技术引入新的现场辅助概念来广泛影响分离科学。该奖项反映了NSF的法定任务，并被认为是值得通过基金会的知识分子优点和更广泛的影响审查标准通过评估来进行评估的。