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dc.contributor.advisorGao, Yiqinen_US
dc.creatorFu, Xuebingen_US
dc.date.accessioned2008-10-10T20:59:37Z
dc.date.available2008-10-10T20:59:37Z
dc.date.created2008-08en_US
dc.date.issued2008-10-10
dc.identifier.urihttp://hdl.handle.net/1969.1/86002
dc.description.abstractMolecular dynamics simulations were conducted on a system consisting of a decamer DNA solvated by trehalose and water (molecular ratio= 1:2), to mimic a relatively dry state for the DNA molecule. Simulations were performed at two different temperatures, 300 K and 450 K. The B-form DNA structure was shown to be stable at both temperatures. The analysis of hydrogen bonds between trehalose/water and DNA revealed that trehalose and backbone DNA formed the largest number of hydrogen bonds and thus constituted the major effect of structural protection for DNA. The number of hydrogen bonds formed by each OH group of trehalose with the backbone DNA was compared. Different types of trehalose-DNA interactions were analyzed, with no prevalent pattern recognized. Diffusion constants for trehalose and water were also calculated, suggesting a glassy/viscose state of the simulation system. It is believed that trehalose protects DNA in the dry state through the network of hydrogen bonds built by the sugars, which reduces the structural fluctuations of DNA and prevents its denaturation.en_US
dc.format.mediumelectronicen_US
dc.language.isoen_USen_US
dc.publisherTexas A&M Universityen_US
dc.subjecttrehaloseen_US
dc.subjectDNAen_US
dc.subjectMD simulationen_US
dc.titleHow trehalose protects DNA in the dry state: a molecular dynamics simulationen_US
dc.typeBooken
dc.typeThesisen
thesis.degree.departmentChemistryen_US
thesis.degree.disciplineChemistryen_US
thesis.degree.grantorTexas A&M Universityen_US
thesis.degree.nameMaster of Scienceen_US
thesis.degree.levelMastersen_US
dc.contributor.committeeMemberLi, Pingweien_US
dc.contributor.committeeMemberLucchese, Robert R.en_US
dc.contributor.committeeMemberNorth, Simon W.en_US
dc.type.genreElectronic Thesisen_US
dc.type.materialtexten_US
dc.format.digitalOriginborn digitalen_US


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