RUI: Chemometric Tools for Characterization of Evolving Chemical Processes

东卡罗莱纳大学的Paul Gemperline教授的项目得到了分析和表面化学以及国际项目的支持，旨在开发一类新的数学建模技术。 其目标是通过多仪器系统在线监测化学反应来提取定量化学成分数据。 改进的建模是可能的结合的内在和外在的测量，如拉曼光谱和在线量热法。 该组合应减少参考光谱的数量和仪器校准的频率。 化学品的混合物是常见的，发生在工业化学品生产，化学分离，表面上的空间分布的化学品，甚至在蛋白质折叠过程中。 目前，快速、自动化的定量需要完整的参考光谱和频繁的仪器校准。 而且，很难将两个或多个仪器的结果联合收割机组合成化学成分的单一报告。 Gemperline教授和他的学生将与几个欧盟研究小组密切合作，特别是西班牙和荷兰的研究小组。

The project of Professor Paul Gemperline of East Carolina University, supported by the Analytical and Surface Chemistry and International Programs, seeks to develop a new class of mathematical modeling techniques. The objective is to extract quantitative chemical composition data from on-line monitoring of chemical reactions with multiple instrument systems. Improved modeling is possible with the combination of intrinsic and extrinsic measurements, such as Raman spectroscopy and on-line calorimetry. The combination should reduce both the number of reference spectra and the frequency of instrument calibrations. Mixtures of chemicals are common, occurring in industrial chemical production, chemical separations, spatially distributed chemicals on surfaces, and even in protein folding processes. Currently, rapid, automated quantification requires complete sets of reference spectra and frequent instrument calibration. Also, it is difficult to combine the results of two or more instruments into a single report of chemical composition. Professor Gemperline and his students will work closely with several European Union research groups, particularly groups in Spain and the Netherlands.