Deconvolution of Conformational Exchange from Raman Spectra of Aqueous RNA NucleosidesCitation formats

  • External authors:
  • Alex Wilson
  • Carlos Outeiral Rubiera
  • Sarah Dowd

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Deconvolution of Conformational Exchange from Raman Spectra of Aqueous RNA Nucleosides. / Wilson, Alex; Outeiral Rubiera, Carlos; Dowd, Sarah; Doig, Andrew; Popelier, Paul; Waltho, Jonathan; Almond, Andrew.

In: Communications Chemistry, Vol. 3, No. 56, 06.05.2020.

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Wilson, Alex ; Outeiral Rubiera, Carlos ; Dowd, Sarah ; Doig, Andrew ; Popelier, Paul ; Waltho, Jonathan ; Almond, Andrew. / Deconvolution of Conformational Exchange from Raman Spectra of Aqueous RNA Nucleosides. In: Communications Chemistry. 2020 ; Vol. 3, No. 56.

Bibtex

@article{a5757b4c7ba048e69bf09f34cad56fae,
title = "Deconvolution of Conformational Exchange from Raman Spectra of Aqueous RNA Nucleosides",
abstract = "Ribonucleic acids (RNAs) are key to the central dogma of molecular biology. While Raman spectroscopy holds great potential for studying RNA conformational dynamics, current computational Raman prediction and assignment methods are limited in terms of system size and inclusion of conformational exchange. Here, a framework is presented that predicts Raman spectra using mixtures of sub-spectra corresponding to major conformers calculated using classical and ab initio molecular dynamics. Experimental optimization allowed purines and pyrimidines to be characterized as predominantly syn and anti, respectively, and ribose into exchange between equivalent south and north populations. These measurements are in excellent agreement with Raman spectroscopy of ribonucleosides, and previous experimental and computational results. This framework provides a measure of ribonucleoside solution populations and conformational exchange in RNA subunits. It complements other experimental techniques and could be extended to other molecules, such as proteins and carbohydrates, enabling biological insights and providing a new analytical tool.",
author = "Alex Wilson and {Outeiral Rubiera}, Carlos and Sarah Dowd and Andrew Doig and Paul Popelier and Jonathan Waltho and Andrew Almond",
year = "2020",
month = may,
day = "6",
doi = "10.1038/s42004-020-0298-x",
language = "English",
volume = "3",
journal = "Communications Chemistry",
issn = "2399-3669",
publisher = "Springer Nature",
number = "56",

}

RIS

TY - JOUR

T1 - Deconvolution of Conformational Exchange from Raman Spectra of Aqueous RNA Nucleosides

AU - Wilson, Alex

AU - Outeiral Rubiera, Carlos

AU - Dowd, Sarah

AU - Doig, Andrew

AU - Popelier, Paul

AU - Waltho, Jonathan

AU - Almond, Andrew

PY - 2020/5/6

Y1 - 2020/5/6

N2 - Ribonucleic acids (RNAs) are key to the central dogma of molecular biology. While Raman spectroscopy holds great potential for studying RNA conformational dynamics, current computational Raman prediction and assignment methods are limited in terms of system size and inclusion of conformational exchange. Here, a framework is presented that predicts Raman spectra using mixtures of sub-spectra corresponding to major conformers calculated using classical and ab initio molecular dynamics. Experimental optimization allowed purines and pyrimidines to be characterized as predominantly syn and anti, respectively, and ribose into exchange between equivalent south and north populations. These measurements are in excellent agreement with Raman spectroscopy of ribonucleosides, and previous experimental and computational results. This framework provides a measure of ribonucleoside solution populations and conformational exchange in RNA subunits. It complements other experimental techniques and could be extended to other molecules, such as proteins and carbohydrates, enabling biological insights and providing a new analytical tool.

AB - Ribonucleic acids (RNAs) are key to the central dogma of molecular biology. While Raman spectroscopy holds great potential for studying RNA conformational dynamics, current computational Raman prediction and assignment methods are limited in terms of system size and inclusion of conformational exchange. Here, a framework is presented that predicts Raman spectra using mixtures of sub-spectra corresponding to major conformers calculated using classical and ab initio molecular dynamics. Experimental optimization allowed purines and pyrimidines to be characterized as predominantly syn and anti, respectively, and ribose into exchange between equivalent south and north populations. These measurements are in excellent agreement with Raman spectroscopy of ribonucleosides, and previous experimental and computational results. This framework provides a measure of ribonucleoside solution populations and conformational exchange in RNA subunits. It complements other experimental techniques and could be extended to other molecules, such as proteins and carbohydrates, enabling biological insights and providing a new analytical tool.

U2 - 10.1038/s42004-020-0298-x

DO - 10.1038/s42004-020-0298-x

M3 - Article

VL - 3

JO - Communications Chemistry

JF - Communications Chemistry

SN - 2399-3669

IS - 56

ER -