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Structural studies of 5-ethyl-2'-deoxyuridine by selective pulse 1H DPFGSE NOE spectroscopy and PM3 calculations
L E Bailey1, M L García-Martín, H Stender
1Dept. Ciencias y Técnicas Fisicoquímicas, UNED, Madrid, Spain.
Abstract:
The solution conformation of 5-ethyl-2'-deoxyuridine (EDU) has been calculated from the vicinyl proton-proton NMR coupling constants and nuclear Overhauser (NOE) distances using excitation sculpting of selective pulses (Double Pulsed Field Gradient Spin Echo NOE) at 500 MHz and molecular modelling (PM3) studies.