2019
DOI: 10.1002/jrs.5748
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Theoretical simulation of surface‐enhanced resonance Raman spectroscopy of cytosine and its tautomers

Abstract: The primary challenge of spectroscopic techniques in selective detection and characterization of tautomeric structures of DNA and RNA bases, and moreover, the accurate interpretation and explanation of the experimental results are the main motives of theoretical studies. Surface-enhanced Raman spectroscopy (SERS) can be a powerful approach to distinguish cytosine in the presence of its tautomers. For this respect, herein, the theoretical simulation of the SERS spectra of cytosine and its three most stable taut… Show more

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Cited by 4 publications
(1 citation statement)
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“…And some bands shift obviously, such as the band at 577 cm À1 shifts to 586 cm À1 (dG), 787 cm À1 shifts to 791 cm À1 (distortion of the dC ring), 1250 cm À1 shifts to 1241 cm À1 (dT), 1644 cm À1 shifts to 1636 cm À1 (dT, dC C2QO interbase H-bond), and 1460 cm À1 (dG N7 H-bond) becomes a shoulder peak. [21][22][23][24] In addition, the new bands at 1126 cm À1 (d-phosphate) and 1162 cm À1 (dT) appear in the SERS spectra. 13,25 As for Oxy1.5 in K + solution, the enhanced characteristic bands appear at 655 cm À1 (dG ring br), 867 cm À1 (OPO, bk), 927 cm À1 (backbone), 955 cm À1 (deoxyribose), and 1434 cm À1 .…”
Section: Resultsmentioning
confidence: 97%
“…And some bands shift obviously, such as the band at 577 cm À1 shifts to 586 cm À1 (dG), 787 cm À1 shifts to 791 cm À1 (distortion of the dC ring), 1250 cm À1 shifts to 1241 cm À1 (dT), 1644 cm À1 shifts to 1636 cm À1 (dT, dC C2QO interbase H-bond), and 1460 cm À1 (dG N7 H-bond) becomes a shoulder peak. [21][22][23][24] In addition, the new bands at 1126 cm À1 (d-phosphate) and 1162 cm À1 (dT) appear in the SERS spectra. 13,25 As for Oxy1.5 in K + solution, the enhanced characteristic bands appear at 655 cm À1 (dG ring br), 867 cm À1 (OPO, bk), 927 cm À1 (backbone), 955 cm À1 (deoxyribose), and 1434 cm À1 .…”
Section: Resultsmentioning
confidence: 97%