A multimodal spectrometer for Raman scattering and near-infrared absorption measurement |
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Affiliation: | 1. College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China;2. College of Chemistry and Chemical Engineering, Yangtze Normal University, Fuling 408100, China;1. Department of Surgery, Section of Transplant Surgery, Suite 6-C, Wayne State University School of Medicine, 4201 St. Antoine BLVD, Detroit, MI 48201, United States;2. Department of Biomedical Engineering, Smart Sensor and Integrated Microsystems, 3100 Eng. Bldg, 5050 Anthony Wayne Drive, Detroit, MI 48202, United States;3. Department of Biomedical Engineering, Smart Sensor and Integrated Microsystems, 3100 Eng. Bldg, 5050 Anthony Wayne Drive, Detroit, MI 48202, United States |
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Abstract: | Raman and infrared (IR) spectroscopy are complementary spectroscopic techniques. However, measurement of Raman and IR spectra are commonly carried out on separate instruments. A dispersive system that enables both Raman spectroscopy and NIR spectroscopy was designed, built, and tested. The prototype system measures spectral ranges of 2600–300 cm−1 and 752–987 nm for Raman and NIR channels, respectively. A wavelength accuracy better than 0.6 nm and spectral resolution better than 1 nm (14.4 cm−1 for Raman channel) could be achieved with our configuration. The linearity of spectral response was better than 99.8%. The intensity stability of the instrument was found to be 0.7% and 0.4% for Raman and NIR channels, respectively. The performance of the instrument was evaluated using binary aqueous solutions of ethanol and ovalbumin. It was found that ethanol concentrations (2–10%) could be predicted with a root mean squared error of prediction (RMSEP) of 0.45% using Raman peak height at 882.2 cm−1. Quantification of ovalbumin concentration (8–16 g/L) in aqueous solutions and in denatured states yielded RMSEP values of 1.05 g/L and 0.74 g/L, respectively. Using concentration as external perturbation in two-dimensional correlation spectroscopy (2DCOS), heterospectral correlation analysis revealed the relationship between NIR and Raman spectra. |
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Keywords: | Multi-modal spectrometer Raman Near-infrared Quantification Data augmentation Two-dimensional correlation spectroscopy (2DCOS) |
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