부산대학교 도서관

Bisphenol "AF," a chemically similar replacement substitute for Bisphenol "A" which is a widespread environmental hormone, is studied by Raman spectroscopy (250–3500 cm–1). Experimentally observed scattering peaks are illuminated by Density Functional Theory calculations. Principal component analysis is executed on the experimental Raman spectra of Bisphenol "AF" together with spectra of Bisphenol "A" and "S" reported earlier. Eight correlating molecular frequencies of Bisphenol "AF," "A," and "S" are found in contrast to 12 such frequencies of Bisphenol "A" and "S" only. The refined list of correlating frequencies manifests the existence of correlation in bisphenol family and clue toward their grouping, identification, detection, and screening together with mechanism responsible for toxicity. [ABSTRACT FROM AUTHOR]