An Analytical and Computational Infrared Spectroscopic Review of Vibrational Modes in Nucleic Acids

In this review, we are reviewing single nucleotide bases using Attenuated Total Reflectance (ATR–FTIR) spectra before moving onto more complex oligionucleotides and ultimately DNA/RNA. This work will lay a foundation to understanding the spectroscopy of DNA/RNA in response to hydration and has important implications for understanding how cells respond to environmental stresses such as dehydration. Also, we are using quantum chemical methods to model DNA/RNA conformation to predict the frequencies and intensity differences in ATR–FTIR spectra. The computational review will initially focus on modelling small– to medium–sized oligonucleotides with the view of correlating predicted results with experimental spectra of these oligonucleotides. The effect of explicit and implicit solvent will be reviewed concurrently.