title: Development of a percutaneous penetration predictive model by SR-FTIR.
abstract: This work focused on developing a new evaluation criterion of percutaneous penetration, in complement to Log Pow and MW and based on high spatial resolution Fourier transformed infrared (FTIR) microspectroscopy with a synchrotron source (SR-FTIR). Classic Franz cell experiments were run and after 22 h molecule distribution in skin was determined either by HPLC or by SR-FTIR. HPLC data served as reference. HPLC and SR-FTIR results were compared and a new predictive criterion based from SR-FTIR results, named S(index), was determined using a multi-block data analysis technique (ComDim). A predictive cartography of the distribution of molecules in the skin was built and compared to OECD predictive cartography. This new criterion S(index) and the cartography using SR-FTIR/HPLC results provides relevant information for risk analysis regarding prediction of percutaneous penetration and could be used to build a new mathematical model.
authors.affiliation: Group of Analytical Chemistry Paris Sud (EA 4041), Faculty of Pharmacy, Université Paris-Sud, 5 rue Jean-Baptiste Clément, 92290 Chatenay-Malabry, France. elsa.jungman@gmail.com
authors.forename: E
authors.initials: E
authors.lastname: Jungman
authors.forename: C
authors.initials: C
authors.lastname: Laugel
authors.forename: D N
authors.initials: DN
authors.lastname: Rutledge
authors.forename: P
authors.initials: P
authors.lastname: Dumas
authors.forename: A
authors.initials: A
authors.lastname: Baillet-Guffroy
mesh_terms: D000328:Adult; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D005240:Feasibility Studies; D005260:Female; D006801:Humans; D008875:Middle Aged; D008962:Models, Theoretical; D004364:Pharmaceutical Preparations / Q000008:administration & dosage / Q000378:metabolism*; D012869:Skin Absorption; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D017356:Synchrotrons
chemical_list: D004364:Pharmaceutical Preparations