Please use this identifier to cite or link to this item: http://doi.org/10.25358/openscience-2450
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dc.contributor.authorMergell, Boris
dc.date.accessioned2002-12-31T23:00:00Z
dc.date.available2003-01-01T00:00:00Z
dc.date.issued2003
dc.identifier.urihttps://openscience.ub.uni-mainz.de/handle/20.500.12030/2452-
dc.description.abstractWe investigate a chain consisting of two coupled worm-like chains withconstant distance between the strands. The effects due todouble-strandedness of the chain are studied. In a previous analyticalstudy of this system an intrinsic twist-stretch coupling and atendency of kinking is predicted. Even though a local twist structureis observed the predicted features are not recovered. A new model for DNA at the base-pair level is presented. Thebase-pairs are treated as flat rigid ellipsoids and thesugar-phosphate backbones are represented as stiff harmonic springs.The base-pair stacking interaction is modeled by a variant of theGay-Berne potential. It is shown by systematic coarse-graininghow the elastic constants of a worm-like chain are related to thelocal fluctuations of the base-pair step parameters. Even though a lotof microscopic details of the base-pair geometry is neglected themodel can be optimized to obtain a B-DNA conformation as ground stateand reasonable elastic properties. Moreover the model allows tosimulate much larger length scales than it is possible with atomisticsimulations due to the simplification of the force-field and inparticular due to the possibility of non-local Monte-Carlo moves. Asa first application the behavior under stretching is investigated. Inagreement with micromanipulation experiments on single DNA moleculesone observes a force-plateau in the force-extension curvescorresponding to an overstretching transition from B-DNA to aso-called S-DNA state. The model suggests a structure for S-DNA withhighly inclined base-pairs in order to enable at least partialbase-pair stacking. Finally a simple model for chromatin is introduced to study itsstructural and elastic properties. The underlying geometry of themodeled fiber is based on a crossed-linker model. The chromatosomesare treated as disk-like objects. Excluded volume and short rangenucleosomal interaction are taken into account by a variant of theGay-Berne potential. It is found that the bending rigidity and thestretching modulus of the fiber increase with more compact fibers. Fora reasonable parameterization of the fiber for physiologicalconditions and sufficiently high attraction between the nucleosomes aforce-extension curve is found similar to stretching experiments onsingle chromatin fibers. For very small stretching forces a kinkedfiber forming a loop is observed. If larger forces are applied theloop formation is stretched out and a decondensation of the fibertakes place.en_GB
dc.language.isoeng
dc.rightsInCopyrightde_DE
dc.rights.urihttps://rightsstatements.org/vocab/InC/1.0/
dc.subject.ddc530 Physikde_DE
dc.subject.ddc530 Physicsen_GB
dc.titleStructural and elastic properties of DNA and chromatinen_GB
dc.typeDissertationde_DE
dc.identifier.urnurn:nbn:de:hebis:77-4624
dc.identifier.doihttp://doi.org/10.25358/openscience-2450-
jgu.type.dinitypedoctoralThesis
jgu.type.versionOriginal worken_GB
jgu.type.resourceText
jgu.organisation.departmentFB 08 Physik, Mathematik u. Informatik-
jgu.organisation.year2003
jgu.organisation.number7940-
jgu.organisation.nameJohannes Gutenberg-Universität Mainz-
jgu.rights.accessrightsopenAccess-
jgu.organisation.placeMainz-
jgu.subject.ddccode530
opus.date.accessioned2002-12-31T23:00:00Z
opus.date.modified2002-12-31T23:00:00Z
opus.date.available2003-01-01T00:00:00
opus.organisation.stringFB 08: Physik, Mathematik und Informatik: FB 08: Physik, Mathematik und Informatikde_DE
opus.identifier.opusid462
opus.institute.number0800
opus.metadataonlyfalse
opus.type.contenttypeDissertationde_DE
opus.type.contenttypeDissertationen_GB
jgu.organisation.rorhttps://ror.org/023b0x485
Appears in collections:JGU-Publikationen

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