journal article·2026-02-19

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

Haoche Peng, Zackery Ferneyhough, Stefan Hilber, Arya Mojahed Naghi, Charles P. Shelor, Christoph Kreutz, Lu Wang, Pavel Matousek, Allison L. Stelling

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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.
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Research context

OpenAlex topics: Molecular spectroscopy and chirality · Advanced Chemical Physics Studies · Molecular Spectroscopy and Structure

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Wentworth Institute of Technology

Department of Chemistry and Biochemistry

The University of Texas at Dallas

Organic Chemistry, University of Innsbruck (CCB), Innrain 80/82, 6020 Innsbruck, Austria

Department of Chemistry and Biochemistry, The University of Texas at Arlington, 700 Planetarium Place, Arlington, Texas 76019-0065, United States

Department of Chemistry and Chemical Biology, Institute for Quantitative Biomedicine

Rutgers University

Central Laser Facility, Research Complex at Harwell

STFC Rutherford Appleton Laboratory

Funding

Welch Foundation

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