Collaborative Research: RUI: Toward Structure-Based Models of Chiral Recognition by Amino Acid Based Macromolecular Assemblies

合作研究：RUI：基于氨基酸的大分子组装体的手性识别的基于结构的模型

• 批准号: 1709394
• 负责人: Kevin Morris
• 金额: $ 8.1万
• 依托单位: Carthage College
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-09-01 至 2022-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1709394&HistoricalAwards=false
• 关键词: Collaborative; Research; RUI; Toward; Structure

This project is funded by the Chemical Measurement and Imaging (CMI) program in the Division of Chemistry. Professors Billiot and Billiot of Texas A&M University - Corpus Christi, Kevin Morris of Carthage College, and Yayin Fang of Howard University form a multi-institutional collaboration. The work focuses on the investigation and elucidation of the factors responsible for molecular self-assembly, and how these factors affect the ability of the self-assembled molecular structures to interact and recognize other molecules of biological importance. A variety of experimental and computational methods are used to developed Quantitative Structure Enantioselective Retention Relationships (QSERR). QSERR is then used to evaluate and compare the effectiveness of different chiral selectors for capillary electrophoretic separations. Two of the three institutions are primarily undergraduate institutions that currently do not have a master's program in chemistry. Thus, the research will be conducted at these two schools exclusively by undergraduate students. One of these is also a Hispanic Serving Institution. The third university involved in the research is an HBCU. The research serves as a tool for the PIs to recruit, train, and mentor students from underrepresented and economically challenged backgrounds and to encourage these students to pursue post baccalaureate degrees in science. The proposed research is part of an ongoing, long-term multi-faceted study focusing on investigating and elucidating the factors responsible for (a) self-assembly, (b) function, (c) higher ordered structure and (d) molecular recognition of amino acid based macromolecular assemblies (AABMAs). In particular, the research will focus on examining the effects that pH, ionic strength, surfactant concentration, and type of counter-ion have on the factors mentioned above. These AABMAs are being utilized in this study as chiral pseudostationary phases in capillary electrophoresis. Thus, the major focus of these studies is to gain insights into the factors responsible for chiral recognition with this class of chiral selector. A deeper understanding of these factors will lead to enhanced chiral separations and improved pseudostationary phases. Understanding such interactions is not only important in the development of chiral recognition media but also in the optimization of the separation conditions. In addition, since enantiorecognition of the systems under study are amino acids, the knowledge gained from these studies will be potentially transferable to other amino acid based systems such as proteins.

该项目由化学部的化学测量和成像（CMI）计划资助。德州农工大学-科珀斯克里斯蒂分校的Billiot和Billiot教授、迦太基学院的Kevin Morris教授和霍华德大学的Yayin Fang教授组成了一个多机构的合作项目。这项工作的重点是调查和阐明负责分子自组装的因素，以及这些因素如何影响自组装分子结构相互作用和识别其他生物学重要分子的能力。各种实验和计算方法被用来开发定量结构对映保留关系（QSERR）。然后使用QSERR来评价和比较不同手性选择剂用于毛细管电泳分离的有效性。三所院校中有两所主要是本科院校，目前没有化学硕士课程。因此，这项研究将在这两所学校进行，完全由本科生。其中一个也是西班牙裔服务机构。参与研究的第三所大学是HBCU。这项研究作为一种工具，为PI招募，培训和辅导学生从代表性不足和经济困难的背景，并鼓励这些学生追求学士后学位的科学。 拟议的研究是一项正在进行的长期多方面研究的一部分，重点是调查和阐明负责（a）自组装，（B）功能，（c）更高层次的结构和（d）基于氨基酸的大分子组装体（AABMAs）的分子识别的因素。特别是，研究将集中在检查的影响，pH值，离子强度，表面活性剂浓度，和类型的抗衡离子对上述因素。这些AABMAs在本研究中被用作毛细管电泳中的手性假固定相。因此，这些研究的主要重点是深入了解负责与这类手性选择剂的手性识别的因素。对这些因素的深入理解将导致增强的手性分离和改进的假固定相。了解这种相互作用不仅对手性识别介质的开发很重要，而且对分离条件的优化也很重要。此外，由于所研究的系统的对映体识别是氨基酸，从这些研究中获得的知识将有可能转移到其他基于氨基酸的系统，如蛋白质。

项目成果

Chiral Recognition of Binaphthyl Derivatives with L-Undecyl Leucine Surfactants in the Presence of Sodium and Lysine Counterions

• DOI: 10.4236/ajac.2021.125012
• 发表时间: 2021-05
• 期刊: American Journal of Analytical Chemistry
• 作者: Mauro Garcia;Amanda Risley;F. Billiot;E. Billiot;K. Morris

Using molecular dynamics simulations to identify the key factors responsible for chiral recognition by an amino acid-based molecular micelle

使用分子动力学模拟来确定氨基酸分子胶束手性识别的关键因素

• DOI: 10.1080/01932691.2018.1479267
• 发表时间: 2018
• 期刊: Journal of Dispersion Science and Technology
• 影响因子: 2.2
• 作者: Morris, Kevin F.;Billiot, Eugene J.;Billiot, Fereshteh H.;Ingle, Jordan A.;Krause, Kevin B.;Lewis, Corbin R.;Lipkowitz, Kenny B.;Southerland, William M.;Fang, Yayin
• 通讯作者: Fang, Yayin

Chiral Recognition of Dansyl Derivatives with an Amino Acid-Based Molecular Micelle: A Molecular Dynamics Investigation.

• DOI: 10.4236/ojpc.2021.112004
• 发表时间: 2021-05
• 期刊: Open journal of physical chemistry
• 作者: Mauro G;Black N;Billiot E;Billiot F;Morris KF;Fang Y
• 通讯作者: Fang Y

Characterization of Micelle Formation by the Single Amino Acid-Based Surfactants Undecanoic L-Isoleucine and Undecanoic L-Norleucine in the Presence of Diamine Counterions with Varying Chain Lengths

在不同链长的二胺抗衡离子存在下，单一氨基酸基表面活性剂十一烷 L-异亮氨酸和十一烷 L-正亮氨酸胶束形成的表征

• DOI: 10.3390/colloids7020028
• 发表时间: 2023
• 期刊: Colloids and Interfaces
• 影响因子: 2.4
• 作者: Maynard-Benson, Amber;Alekisch, Mariya;Wall, Alyssa;Billiot, Eugene J.;Billiot, Fereshteh H.;Morris, Kevin F.
• 通讯作者: Morris, Kevin F.