Infrared Spectra of the Thymidine 13 C2 and 13 C4 Isotopes in H 2 O and D 2 O

The Journal of Physical Chemistry Letters 2026

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Authors: Haoche Peng, Zackery D. Ferneyhough, Stefan Hilber, Arya Mojahed Naghi, Charles Phillip Shelor, Christoph Kreutz, Lu Wang, Pavel Matousek, Allison L. Stelling
DOI: 10.1021/acs.jpclett.5c03267
Cited by: 0
References: 71

Abstract

Here we report the synthesis of two new 13 C thymidine (T) isotopes labeled at two key positions in its structure, C2═O and C4═O, and the first IR spectra of each T isotope in H 2 O and in D 2 O. Our experimental isotope shifts and normal mode calculations indicate some structurally sensitive modes may be more localized than previously thought, making them regiosensitive probes of thymidine’s chemical environment. These results provide new physical insight into the normal modes of thymidine, and will guide future studies to determine how these structurally and environmentally sensitive probe vibrations are impacted by the duplex environment.

Fields of Study & Subjects

Spectroscopy and Quantum Chemical Studies Spectroscopy Techniques in Biomedical and Chemical Research DNA and Nucleic Acid Chemistry

Publication details

Journal / source
The Journal of Physical Chemistry Letters
Volume
17
Issue
7
Pages
1907–1914
Publication date
4 February 2026
Language
EN