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Terahertz spectroscopy of Bisphenol "A", "AF", "S", "E" and the interrelationship between their molecular vibrations
Yiwen Sun1, Xingxing Lu1, Pengju Du1
1National-Regional Key Technology Engineering Laboratory for Medical Ultrasound, Guangdong Provincial Key Laboratory of Biomedical Measurements and Ultrasound Imaging, Department of Biomedical Engineering, School of Medicine, Shenzhen University, Shenzhen 518060, China.
Abstract:
Bisphenol "A" is a widespread environmental hormone. After the prohibition on the use of BPA in some applications, it is progressively replaced by its variants. However, these variants of Bisphenol "A" are also noxious. It is therefore of the utmost importance to find the similarity among these materials and put all of them under restriction to avoid harmful effects. Therefore, Bisphenol "A", "AF", "E", and "S" are studied by Terahertz spectroscopy (0.5-2.5 THz). Various molecular vibrations are found and assigned based on density-functional-theory calculations. Refractive Indices are calculated as well. The principal component analysis reveals the critical vibrational frequencies for their detection and shows the correlation between them.
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