Raman spectroscopy and quantum-mechanical analysis of tautomeric forms in cytosine and 5-methylcytosine on gold surfaces

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• 作者：Dinh Bao Nguyen^a ; ^b ; Thanh Danh Nguyen^a ; ^b ; Sangsoo Kim^c ; Sang-Woo Joo^a ; ^b ; ^{sjoo@ssu.ac.kr}
• 关键词：5-Methylcytosine ; Cytosine ; Tautomers ; Raman ring-breathing mode ; Gold atom cluster calculation
• 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
• 出版年：2017
• 出版时间：5 March 2017
• 年：2017
• 卷：174
• 期：Complete
• 页码：183-188
• 全文大小：906 K
• 卷排序：174

文摘

Spectral differences between Cyt and 5MC were investigated by Raman spectroscopy. 7H keto amino and 4H imino trans tautomers were predicted to be most stable on gold atoms. Ring-breathing region modes revealed dissimilarities between Cyt and 5MC on Au. Simulated spectrum using the thermodynamic weights could be correlated with Raman data. Surface-enhanced Raman scattering provided a useful tool to discern 5MC from Cyt.