NMR and Computational Study of Purine Nucleoside Phosphorylase Deficiency Markers


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Abstract


The results of calculation of molecular structures of selected nucleoside in polar environment using Polarized Continuum Model of solvent combined with Density Functional Theory with a RB3LYP 6-311++g(2d,p) basis set is presented. The chemical schifts 13C NMR,  15N NMR and coupling constant J N-H of inosine, guanosine, deoxyinosine, deoxyguanosine and 2’,3’,5’-tri-O-acetyl -1-(2,4-dinitrophenyl)inosine  have been determined using  spectra and theoretical GIAO - DFT calculations (Gaussian 03W). 13C NMR and complementary 15N NMR spectroscopy are potentially powerful and convenient tools for diagnosing PNP
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Keywords


PNP Markers; NMR; GIAO - DFT Calculations; PCM

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