title: Use of genetic algorithms with multivariate regression for determination of gelatine in historic papers based on FT-IR and NIR spectral data.
abstract: Quantitative non-destructive analysis of individual constituents of historic rag paper is crucial for its effective preservation. In this work, we examine the potentials of mid- and near-infrared spectroscopy, however, in order to fully utilise the selectivity inherent to spectroscopic multivariate measurements, genetic algorithms were used to select spectral data derived from information-rich FT-IR or UV-vis-NIR measurements to build multivariate calibration models based on partial least squares regression, relating spectra to gelatine content in paper. A selective but laborious chromatographic method for the quantification of hydroxyproline (HYP) has been developed to provide the reference data on gelatine content. We used 9-fluorenylmethyl chloroformate (FMOC) to derivatise HYP, which was subsequently determined using reverse-phase liquid chromatographic separation and fluorimetric detection. In this process, the sample is consumed, which is why the method can only be used as a reference method. The sampling flexibility afforded by small-size field-portable spectroscopic instrumentation combined with chemometric data analysis, represents an attractive addition to existing analytical techniques for cultural heritage materials.
authors.affiliation: Centre for Sustainable Heritage, University College London, United Kingdom.
authors.forename: L
authors.initials: L
authors.lastname: Cséfalvayová
authors.forename: M
authors.initials: M
authors.lastname: Pelikan
authors.forename: I
authors.initials: I
authors.lastname: Kralj Cigić
authors.forename: J
authors.initials: J
authors.lastname: Kolar
authors.forename: M
authors.initials: M
authors.lastname: Strlic
mesh_terms: D000465:Algorithms; D002138:Calibration; D002482:Cellulose / Q000032:analysis / Q000737:chemistry; D002851:Chromatography, High Pressure Liquid; D005780:Gelatin / Q000032:analysis / Q000737:chemistry / Q000235:genetics; D049670:History, 17th Century; D049671:History, 18th Century; D049672:History, 19th Century; D006868:Hydrolysis; D006909:Hydroxyproline / Q000032:analysis / Q000737:chemistry; D015999:Multivariate Analysis; D010209:Paper / Q000266:history / Q000592:standards*; D025341:Principal Component Analysis; D012044:Regression Analysis; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D013997:Time Factors
chemical_list: D005780:Gelatin; D002482:Cellulose; D006909:Hydroxyproline