title: Investigation of the acid-base properties of mononitro-calix[4]arene with chemometric methods.
abstract: The acid-base properties of mononitro-calix[4]arene was studied with chemometric methods by measurement of its UV absorbance under different pH. The chemometric method-iterative target transformation factor (ITTFA) was employed to resolve the acid-base fraction curves. Combining with other chemometric methods-principal component analysis (PCA) and evolving factor analysis (EFA), the proton dissociation behavior of the derivative was investigated in detail. The pK(a) values of the derivative were determined and the fraction curves and pure absorbing spectra of each absorbing component were obtained.
authors.affiliation: Department of Chemistry, Tongji University, Shanghai 200092, PR China. wangli@mail.tongji.edu.cn
authors.forename: Li
authors.initials: L
authors.lastname: Wang
authors.forename: Xian-Fa
authors.initials: XF
authors.lastname: Shi
authors.forename: Zhong-Liang
authors.initials: ZL
authors.lastname: Zhu
mesh_terms: D000143:Acids / Q000737:chemistry*; D002021:Buffers; D047250:Calixarenes / Q000737:chemistry*; D000431:Ethanol / Q000737:chemistry; D005163:Factor Analysis, Statistical; D006860:Hydrogen Bonding; D006863:Hydrogen-Ion Concentration; D015394:Molecular Structure; D009574:Nitro Compounds / Q000737:chemistry*; D010636:Phenols / Q000737:chemistry*; D010710:Phosphates / Q000737:chemistry; D025341:Principal Component Analysis; D011522:Protons; D012997:Solvents / Q000737:chemistry; D013056:Spectrophotometry, Ultraviolet; D013696:Temperature; D014867:Water / Q000737:chemistry
chemical_list: D000143:Acids; D002021:Buffers; D009574:Nitro Compounds; D010636:Phenols; D010710:Phosphates; D011522:Protons; D012997:Solvents; C121325:calix(4)arene; D014867:Water; D047250:Calixarenes; D000431:Ethanol