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  • 2DCDS_author accepted manuscript

    Rights statement: This is the author’s version of a work that was accepted for publication in Journal of Molecular Structure. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Molecular Structure, 1124, 2016 DOI: 10.1016/j.molstruc.2016.02.056

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Two-dimensional codistribution spectroscopy applied to UVRR and ROA investigations of biomolecular transitions

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Published
<mark>Journal publication date</mark>15/11/2016
<mark>Journal</mark>Journal of Molecular Structure
Volume1124
Number of pages7
Pages (from-to)173-179
Publication StatusPublished
Early online date17/02/16
<mark>Original language</mark>English

Abstract

The first Raman optical activity (ROA) two-dimensional correlation spectroscopy (2DCOS) study in 2006, monitoring the temperature-induced α-helix-to-β-sheet transition in poly(l-lysine), demonstrated the versatility of 2DCOS. The combination of ROA and 2DCOS provided new ROA band assignments, enabled a direct comparison between the simultaneously collected Raman and ROA data using heterocorrelations and probed sequential information. This study also confirmed that 2DCOS can be successfully used with bisignate data, although specific care is needed when interpreting the results. However, as time has passed, doubts have been raised about not only the sequential orders reported in the study but also the general reliability of sequential data. This issue has now been addressed with the introduction of 2D codistribution (2DCDS) which is specifically designed to provide the sequence of the distributed presence of species along the perturbation variable axis. In light of these new developments in 2D correlation techniques we have revisited the original ROA data and we present our updated results. Furthermore, we demonstrate how 2DCDS can be successfully applied to bisignate data using new spectral data sets of perturbation-induced transitions in polynucleotides.

Bibliographic note

This is the author’s version of a work that was accepted for publication in Journal of Molecular Structure. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Molecular Structure, 1124, 2016 DOI: 10.1016/j.molstruc.2016.02.056