title: [Structure analysis of benzoic medicines by near infrared and two dimensional correlation spectroscopy].
abstract: The structure analysis of benzoic medicines by Fourier transform near infrared spectroscopy and generalized two dimensional correlation spectroscopy was performed. Three kinds of medicines showed unconspicuous changes in one-dimensional near infrared spectra, while the two dimensional correlation spectra showed high resolution, and were more explicable. By the comparison and analysis of raw near infrared spectra and 2D-correlation spectra, the near infrared absorption peaks of benzoic acid medicines were assigned, and their structure characteristics were analyzed, the results affirmed the six-membered ring intramolecular hydrogen bond especially. The study is helpful to the in-depth understanding of benzoic medicines, and provides information for the future study and utilization of benzoic medicines.
authors.affiliation: Department of Pharmacy, Guangdong Chemical Engineering Pharmaceutics College, Guangzhou 510520, China.
authors.forename: Hao
authors.initials: H
authors.lastname: Liu
authors.forename: Bing-ren
authors.initials: BR
authors.lastname: Xiang
authors.forename: Ling-bo
authors.initials: LB
authors.lastname: Qu
authors.forename: Jian-ping
authors.initials: JP
authors.lastname: Xu
mesh_terms: D001565:Benzoates / Q000032:analysis* / Q000737:chemistry; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D015394:Molecular Structure; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
chemical_list: D001565:Benzoates