Azathioprine is a slow-release prodrug of 6-mercaptopurine and an established clinical agent for the treatment of human leukemias and other immunologically mediated diseases. The Raman spectra (1600-600 cm −1 ) of solid and solution azathiopurine were recorded and are presented along with results from normal-mode calculations. The band assignments were derived from semi-empirical and ab initio molecular orbital calculations. The ab initio calculations were performed with the restricted Hartree-Fock method and the semi-empirical methods utilized the AM1, PM3 and MNDO-d methods.
A method for the detection of BPDE-d guanosine adducts using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS) is described and illustrated. The results indicate that MALDI is capable of detecting two other DNA benzopyrene adducts, which are trace products formed during the synthesis of BPDE-d guanosine. This MALDI-TOFMS method offers the potential for the detection of DNA adducts in human tissue using very limited sample purification and preparation.
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