title: Optical and vibrational properties of phosphorylcholine-based contact lenses-Experimental and theoretical investigations.
abstract: The Raman, MIR and UV-vis spectroscopy have been used to characterize Omafilcon A material constructing the one of the Proclear family contact lenses. The Omafilcon A is hydrogel material composed of 2-hydroxyethyl methacrylate (HEMA) and 2-methacryloyloxyethyl phosphorylcholine (PC) polymers crosslinked with ethyleneglycol dimethacrylate (EGDMA). Vibrational and electronic properties of the Omafilcon A material were also investigated by quantum chemical calculations. Experimentally obtained Raman, MIR and optical spectra were compared to the theoretical ones calculated applying RHF and DFT methodology. The quantum chemical calculations were performed for isolated monomers of lenses compounds as well as for their dimers and trimers to elucidate the effect of Omafilcon A polymerization and the role of an individual components.
authors.affiliation: Institute of Physics, Faculty of Mathematics and Natural Science, Jan Dlugosz University, Al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.
authors.forename: Katarzyna
authors.initials: K
authors.lastname: Filipecka
authors.affiliation: Institute of Physics, Faculty of Mathematics and Natural Science, Jan Dlugosz University, Al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.
authors.forename: Rafał
authors.initials: R
authors.lastname: Miedziński
authors.affiliation: Faculty of Materials Science and Ceramics, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Cracow, Poland.
authors.forename: Maciej
authors.initials: M
authors.lastname: Sitarz
authors.affiliation: Institute of Physics, Faculty of Mathematics and Natural Science, Jan Dlugosz University, Al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.
authors.forename: Jacek
authors.initials: J
authors.lastname: Filipecki
authors.affiliation: Institute of Physics, Faculty of Mathematics and Natural Science, Jan Dlugosz University, Al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland. Electronic address: m.makowska@ajd.czest.pl.
authors.forename: Małgorzata
authors.initials: M
authors.lastname: Makowska-Janusik
mesh_terms: D003261:Contact Lenses; D008958:Models, Molecular; D008968:Molecular Conformation; D010767:Phosphorylcholine / Q000737:chemistry*; D011108:Polymers / Q000737:chemistry; D013056:Spectrophotometry, Ultraviolet; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman; D014732:Vibration
chemical_list: D011108:Polymers; D010767:Phosphorylcholine
keywords: Contact lenses; Density functional theory; IR; Omafilcon; Raman; UV–vis spectra