Operations Research, Systems Engineering and Industrial Engineering Commons^™

Chemometric Calibration Of Surface Enchanced Raman Spectra For Quantitative Analysis, Xiaofei Shi

Graduate Theses, Dissertations, and Problem Reports

Raman spectroscopy, recognized as a powerful analytical technique, has been widely employed in many fields especially in the detection of hazard material containing in food or water. However, multiplexed analyte quantification based on Raman spectra remains a challenge due to the difficulties in accurate and precise modeling of the relationship between multiple analyte concentrations and dense spectral data with noise.

In this work, a statistical procedure was developed to efficiently generate high-quality calibration models quantifying the analyte concentrations versus spectra relationship. The resulting calibration models are able to provide estimated concentration ranges (which reflect both point and uncertainty estimates) for …