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dc.contributor.authorOlivieira, Luciana
dc.contributor.authorLong, Adam
dc.contributor.authorBrown, Tom
dc.contributor.authorFox, Keith
dc.contributor.authorWebber, Gerald
dc.date.accessioned2021-03-29T10:11:47Z
dc.date.available2021-03-29T10:11:47Z
dc.date.issued2020-07-23
dc.identifier.citationOliveira, L.M., Long, A.S., Brown, T., Fox, K.R. and Weber, G., (2020). 'Melting temperature measurement and mesoscopic evaluation of single, double and triple DNA mismatches'. Chemical Science, 11(31), pp.8273-8287.en_US
dc.identifier.doi10.1039/D0SC01700K
dc.identifier.urihttp://hdl.handle.net/10545/625677
dc.description.abstractUnlike the canonical base pairs AT and GC, the molecular properties of mismatches such as hydrogen bonding and stacking interactions are strongly dependent on the identity of the neighbouring base pairs. As a result, due to the sheer number of possible combinations of mismatches and flanking base pairs, only a fraction of these have been studied in varying experiments or theoretical models. Here, we report on the melting temperature measurement and mesoscopic analysis of contiguous DNA mismatches in nearest-neighbours and next-nearest neighbour contexts. A total of 4032 different mismatch combinations, including single, double and triple mismatches were covered. These were compared with 64 sequences containing all combinations of canonical base pairs in the same location under the same conditions. For a substantial number of single mismatch configurations, 15%, the measured melting temperatures were higher than the least stable AT base pair. The mesoscopic calculation, using the Peyrard–Bishop model, was performed on the set of 4096 sequences, and resulted in estimates of on-site and nearest-neighbour interactions that can be correlated to hydrogen bonding and base stacking. Our results confirm many of the known properties of mismatches, including the peculiar sheared stacking of tandem GA mismatches. More intriguingly, it also reveals that a number of mismatches present strong hydrogen bonding when flanked on both sites by other mismatches. To highlight the applicability of our results, we discuss a number of practical situations such as enzyme binding affinities, thymine DNA glycosylase repair activity, and trinucleotide repeat expansions.en_US
dc.description.sponsorshipN/Aen_US
dc.language.isoenen_US
dc.publisherRoyal Society of Chemistryen_US
dc.relation.urlhttps://pubs.rsc.org/en/content/articlehtml/2020/sc/d0sc01700ken_US
dc.relation.urlhttps://eprints.soton.ac.uk/442926/en_US
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectMelting temperature mismatchesen_US
dc.subjectsingle mismatchesen_US
dc.subjectDNA mismatchesen_US
dc.subjectdouble mismatchesen_US
dc.subjectmesoscopic measurementen_US
dc.titleMelting temperature measurement and mesoscopic evaluation of single, double and triple DNA mismatchesen_US
dc.typeArticleen_US
dc.identifier.eissn2041-6539
dc.contributor.departmentUniversidade Federal de Minas Gerais, Brazilen_US
dc.contributor.departmentUniversity of Southamptonen_US
dc.contributor.departmentUniversity of Oxforden_US
dc.identifier.journalChemical Scienceen_US
dcterms.dateAccepted2020-07-23
dc.author.detail781861en_US


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Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivatives 4.0 International