Selective conformer detection of short-lived base pair tautomers: A computational study of the unusual guanine-cytosine pairs using ultrafast resonance Raman spectroscopy

Measuring the Enthalpy of an Individual Hydrogen Bond in a DNA Duplex with Nucleobase Isotope Editing and Variable-Temperature Infrared Spectroscopy

“…This indicates that, if present under ambient conditions, the TC2 enol population is too small to be detected by this particular IRbased method. However, Raman studies have reported detection of an enol−keto tautomerization of protonated cytidine using variable-temperature ultraviolet resonance Raman (UVRR) under low-pH conditions, 126 and future work will seek to combine isotope editing with more sensitive detection methods such as resonance Raman spectroscopy 127 to determine if there is experimental support for these and other potential noncanonical states present within DNA duplexes. We will also seek to utilize the potential sensitivity of the TC2�O bond to water intercalation and combine T 13 C2 editing methods and variable-temperature ATR-FTIR spectroscopy to calibrate this chromophore as a molecular thermometer to measure the local melting of a single base pair in a DNA duplex.…”