Raman spectroscopic discrimination of estrogens |
| |
| Institution: | 1. Department of Chemistry, Institute for Macromolecular Assemblies, York College, Jamaica, NY, 11451, United States;2. PhD Programs in Chemistry and Biochemistry, The Graduate Center of The City University of New York, New York, NY, 10016, United States;3. Department of Chemistry and Physical Sciences, Pace University, One Pace Plaza, New York, NY, 10029, United States;1. Institute of Chemistry, Eötvös University, H-1518 Budapest, P.O. Box 32, Hungary;2. Department of Earth and Environmental Sciences, University of Pannonia, H-8200 Veszprém, P.O. Box 158, Hungary;3. MTA-PE Air Chemistry Research Group, H-8200 Veszprém, P.O. Box 158, Hungary;4. Department of Physics, University of Helsinki, FI-00014 Helsinki, P.O. Box 64, Finland;1. INRS—Institut Armand Frappier, Laval, Quebec, Canada;2. Department of Chemical Engineering, McGill University, Montreal, Quebec, Canada;1. College of Tea and Food Technology, Zhangzhou College of Science & Technology, Zhangzhou 363200, China;2. School of Chemistry, Sun Yat-sen University, Guangzhou 510275, China |
| |
| Abstract: | Estrogens are a group of steroid compounds found in the human body that are eventually discharged and ultimately end up in sewer effluents. Since these compounds can potentially affect the endocrine system its detection and quantification in sewer water is important. In this study, estrogens such as estrone (E1), estradiol (E2), estriol (E3), and ethynylestradiol (EE2) were discriminated and quantitated using Raman spectroscopy. Simulated Raman spectra were correlated with experimental data to identify unique marker peaks, which proved to be useful in differentiating each estrogen molecules. Among these marker peaks are Raman modes arising from hydroxyl groups of the estrogen molecules in the spectral region 3200–3700 cm?1. Other Raman modes unique to each of the estrogen samples were also identified, including peaks at 1722 cm?1 for E1 and 2109 cm?1 for EE2, which corresponds to their distinctive structures each containing a different set of functional groups. To quantify the components of estrogen mixtures, the intensities of each identifying Raman bands, at 581 cm?1 for E1, 546 cm?1 for E2, 762 cm?1 for E3 and 597 cm?1 for EE2, were compared and normalized against the intensity of a common peak at 783 cm?1. Quantitative analysis yielded most results within an acceptable 20% error. |
| |
| Keywords: | Estrogens Quantitation Raman DFT |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
