Ultrafast 2DIR Spectroscopy for Biomedical Analysis

该项目探索超快2D-IR光谱作为一种新型分析工具在生物医学分析中的应用。2D-IR光谱已被证明是一种强大的工具，可用于分析复杂光谱，并可获得一系列生物分子的分子结构、光谱和动力学信息。这项工作为该方法应用于复杂生物流体（如血浆或血清）的快速、非侵入性疾病诊断铺平了道路。然而，为了使测量切实可行并开发对所产生的光谱进行全面了解所需的工具，必须克服重大的技术和物理科学挑战。该项目将首先获得由可溶的、市售的蛋白质水溶液组成的模型血浆的2D-IR光谱，随着项目的进展，为了建立测量方案和实验灵敏度的限制，使混合物变得更加复杂。为了将挑战置于背景中，这些将是第一次测量，在全球范围内检查水溶液中蛋白质的酰胺I 2D-IR响应，这将为溶液中蛋白质的动力学以及经常使用的氘化红外光谱技术对我们目前对其分子物理的理解的影响提供相当大的新见解。与此同时，将开发基于多变量和高阶分析的数据分析工具，用于数据表示和信息检索。

The project explores the application of ultrafast 2D-IR spectroscopy as a novel analytical tool for use in biomedical analysis. 2D-IR spectroscopy has been demonstrated to be a powerful tool for use in analysing complex spectra and for obtaining information on molecular structure, spectroscopy and dynamics of a range of biological molecules. This work has paved the way for the method to be applied in the analysis of complex biofluids such as blood plasma or serum for rapid, non-invasive disease diagnosis. However, significant technical and physical science challenges must be overcome in order to make the measurements practical and to develop the tools required for a comprehensive understanding of the spectra produced.This project will begin by obtaining 2D-IR spectra of model blood plasma consisting of aqueous solutions of soluble, commercially-available proteins, making the mixtures more complex as the project progresses in order to establish measurement protocols and the limits of experimental sensitivity. To put the challenges into context, these will be the first measurements, on a global scale examining the amide I 2D-IR response of proteins in aqueous solution, which will offer considerable new insight into the dynamics of proteins in solution and the impact of the often-employed deuteration IR spectroscopy technique on our current understanding of their molecular physics. In parallel with this work will be development of data analysis tools based on multivariate and higher order analysis for data presentation and information retrieval.