title: Strategies for the computation of infrared CD and absorption spectra of biological molecules: ribonucleic acids.
abstract: We report observed and computed infrared (vibrational) circular dichroism spectra of a number of polyribonucleic acids in aqueous solutions in the 1600-1750 cm-1 spectral region, in which C = O and some nucleotide base ring stretching vibrations occur. The experimental data are compared with results calculated using different levels of sophistication within the exciton approach. We find that observed band shapes are generally well reproduced by these models, particularly if care is taken to determine the direction of the vibrational dipole transition moments accurately.
authors.affiliation: Department of Chemistry, City University of New York, Hunter College, New York 10021.
authors.forename: T
authors.initials: T
authors.lastname: Xiang
authors.forename: D J
authors.initials: DJ
authors.lastname: Goss
authors.forename: M
authors.initials: M
authors.lastname: Diem
mesh_terms: D055592:Biophysical Phenomena; D001703:Biophysics; D002942:Circular Dichroism; D008956:Models, Chemical; D011061:Poly A / Q000737:chemistry; D011063:Poly A-U / Q000737:chemistry; D011066:Poly C / Q000737:chemistry; D011068:Poly G / Q000737:chemistry; D012313:RNA / Q000737:chemistry*; D013053:Spectrophotometry; D013055:Spectrophotometry, Infrared; D014732:Vibration
chemical_list: D011063:Poly A-U; D011061:Poly A; D011068:Poly G; C008961:poly G-poly C; D011066:Poly C; D012313:RNA