MRI: Development of Three Wave Mixing Spectrometer for Chiral Analysis by Rotational Spectroscopy

MRI：开发用于旋转光谱手性分析的三波混合光谱仪

• 批准号: 1531913
• 负责人: Brooks Pate
• 金额: $ 57.76万
• 依托单位: University of Virginia Main Campus
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-08-01 至 2019-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1531913&HistoricalAwards=false
• 关键词: MRI; Development; Three; Wave; Mixing

With this award from the Major Research Instrumentation (MRI) Program and the Chemistry Research Instrumentation (CRIF) Program, Professors Brooks Pate and colleague Kevin Lehmann from the University of Virginia will develop a new instrument that involves Fourier transform microwave spectrometry for the study of chiral molecules. Molecular chirality is the property of molecules to exhibit handedness by existing in two forms (called enantiomers) which are mirror images, like left and right hands in humans. A molecule's left form (enantiomer) may react differently than its right form (enantiomer). Many pharmaceuticals can exist in both forms. However, only one will generally be medically effective. With this award the team will develop an instrument to analyze samples to determine the relative amounts of each enantiomer in a given sample (enantiomeric excess). The instrument will use a recently developed procedure using a microwave spectrometer involving analysis of three gas phase rotational transitions which are coupled through common energy levels (three wave mixing). This technique could have important practical applications in the analysis of reaction mixtures employed in drug preparations or materials research. The instrument would allow chiral analysis using three wave mixing Fourier transform rotational spectroscopy. The instrument uses design principles that have been developed for broadband, chirped-pulse Fourier transform rotational spectroscopy and it will be capable of making three essential chiral analysis measurements: (a) quantitative measurement of the yields of diastereomers produced in the synthesis of a molecule with multiple chiral centers; (b) quantitative measurement of the enantiomeric excess of each diastereomer in a sample; and (c) accurate determination of the absolute configuration (or handedness) of the enantiomer that is in excess.

凭借重大研究仪器 (MRI) 计划和化学研究仪器 (CRIF) 计划的这一奖项，弗吉尼亚大学的 Brooks Pate 教授和同事 Kevin Lehmann 将开发一种涉及傅里叶变换微波光谱法的新仪器，用于研究手性分子。 分子手性是分子通过以两种镜像形式（称为对映体）存在而表现出旋手性的特性，就像人类的左手和右手一样。分子的左侧形式（对映体）的反应可能与其右侧形式（对映体）不同。 许多药物可以两种形式存在。然而，通常只有一种具有医疗效果。凭借该奖项，该团队将开发一种仪器来分析样品，以确定给定样品中每种对映体的相对含量（对映体过量）。该仪器将使用最近开发的程序，使用微波光谱仪，涉及通过公共能级（三波混合）耦合的三个气相旋转转变的分析。该技术在药物制剂或材料研究中使用的反应混合物分析中具有重要的实际应用。 该仪器将允许使用三波混合傅里叶变换旋转光谱进行手性分析。该仪器采用为宽带、啁啾脉冲傅立叶变换旋转光谱开发的设计原理，并且能够进行三种基本的手性分析测量：(a) 定量测量分子合成中产生的非对映异构体的产率多个手性中心； (b) 定量测量样品中每种非对映异构体的对映异构体过量； (c) 准确测定过量对映体的绝对构型（或旋向性）。