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dc.contributor.authorChristen, Markusen_US
dc.contributor.authorF. van Gunsteren, Wilfreden_US
dc.contributor.authorWinger, Moritzen_US
dc.date.accessioned2017-04-04T22:51:10Z
dc.date.available2017-04-04T22:51:10Z
dc.date.issued2009en_US
dc.date.modified2011-08-29T05:58:01Z
dc.identifier.issn16879341en_US
dc.identifier.doi10.1155/2009/307695en_AU
dc.identifier.urihttp://hdl.handle.net/10072/37920
dc.description.abstractMolecular dynamics (MD) simulations were used to monitor the stability and conformation of double-stranded and single-stranded amyloses and single-stranded cellulose oligomers containing 9 sugar moieties in solution as a function of solvent composition, ionic strength, temperature, and methylation state. This study along with other previous studies suggests that hydrogen bonds are crucial for guaranteeing the stability of the amylose double helix. Single-stranded amylose forms a helical structure as well, and cellulose stays highly elongated throughout the simulation time, a behavior that was also observed experimentally. In terms of coordination of solute hydroxyl groups with ions, amylose shows entropy-driven coordination of calcium and sulfate ions, whereas cellulose-ion coordination seems to be enthalpy-dominated. This indicates that entropy considerations cannot be neglected when explaining the structural differences between amyloses and celluloses.en_US
dc.description.peerreviewedYesen_US
dc.description.publicationstatusYesen_AU
dc.format.extent2165276 bytes
dc.format.mimetypeapplication/pdf
dc.languageEnglishen_US
dc.language.isoen_AU
dc.publisherHindawi Publishing Corporationen_US
dc.publisher.placeUnited Statesen_US
dc.relation.ispartofstudentpublicationNen_AU
dc.relation.ispartofpagefrom1en_US
dc.relation.ispartofpageto8en_US
dc.relation.ispartofjournalInternational Journal of Carbohydrate Chemistryen_US
dc.relation.ispartofvolume2009en_US
dc.rights.retentionYen_AU
dc.subject.fieldofresearchBiological Sciences not elsewhere classifieden_US
dc.subject.fieldofresearchcode069999en_US
dc.titleOn the conformational properties of amylose and cellulose oligomers in solutionen_US
dc.typeJournal articleen_US
dc.type.descriptionC1 - Peer Reviewed (HERDC)en_US
dc.type.codeC - Journal Articlesen_US
gro.rights.copyrightCopyright remains with the authors 2009. The attached file is posted here with permission of the copyright owners for your personal use only. No further distribution permitted.For information about this journal please refer to the journal's website. The online version of this work is licensed under a Creative Commons License, available at http://creativecommons.org/licenses/by-nc-sa/2.1/au/en_AU
gro.date.issued2009
gro.hasfulltextFull Text


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