Sequence-dependent separation of trinucleotides by ion-interaction reversed-phase liquid chromatography A structure-retention study assisted by soft-modelling and molecular dynamics

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Authors	MIKULÁŠEK Kamil JAROŇ Kamil KULHÁNEK Petr BITTOVÁ Miroslava HAVLIŠ Jan
Year of publication	2016
Type	Article in Periodical
Magazine / Source	Journal of Chromatography A
MU Faculty or unit	Central European Institute of Technology
Citation	MIKULÁŠEK, Kamil, Kamil JAROŇ, Petr KULHÁNEK, Miroslava BITTOVÁ and Jan HAVLIŠ. Sequence-dependent separation of trinucleotides by ion-interaction reversed-phase liquid chromatography A structure-retention study assisted by soft-modelling and molecular dynamics. Journal of Chromatography A. Amsterdam: Elsevier Science BV, 2016, vol. 1469, October, p. 88-95. ISSN 0021-9673. Available from: https://dx.doi.org/10.1016/j.chroma.2016.09.060.
web	supplementary data
Doi	http://dx.doi.org/10.1016/j.chroma.2016.09.060
Field	Analytic chemistry
Keywords	Sequence-dependent separation; Ion-interaction reversed-phase liquid chromatography; Trinucleotides; Oligonucleotide sequence isomers; QSRR; Molecular dynamics
Attached files	2016_JoCh_A_havlis_trinucleotides.pdf
Description	Ultrashort oligonucleotides show consistent sequence-dependent separation behaviour, described via soft-modelling and molecular dynamics. Important factors determining this phenomenon were identified to be solvent accessible surface areas and electrostatic work of molecule transfer from vacuum into solvent, representing physico-chemical properties of the studied molecules.
Related projects:	CERIT Scientific Cloud CEITEC 2020