ABSTRACT
The analysis of ground state structural and vibrational properties of Safranin-O is presented. The experimental results, obtained by FTIR, Raman and SERS spectroscopy, are discussed in comparison to the results of DFT calculations carried out at the B3LYP/6-311+G(d,p) level of theory. The calculated spectra reproduce quite satisfactorily the experimental data. The calculated Safranin-O equilibrium structure and the assignment of the vibrational spectra are reported as well. From the changes between Raman and SERS spectra a model is presented for the interaction of Safranin-O with silver nanoparticles.
Subject(s)
Coloring Agents/chemistry , Phenazines/chemistry , Scattering, Small Angle , Silver/chemistry , Spectrophotometry, Infrared , Spectrum Analysis, Raman , Adsorption , Electrons , Metal Nanoparticles/chemistry , Molecular Conformation , Nanotechnology , Software , Spectroscopy, Fourier Transform Infrared , Surface Properties , Vibration , Water/chemistryABSTRACT
Multiple Pterygium Syndrome is a rare autosomal recessive disorder characterized by short stature, multiple pterygium, joint contractures, vertebral fusions and minor facial anomalies. Due to the extreme phenotypic variability of this syndrome many mild cases may be misdiagnosed or not recognized. The importance of an early diagnosis is to provide an adequate follow-up of these children in order to try to prevent many of the clinical problems they may encounter in their life-time.
