Quantum Chemical Predictions of the Stable Isotope Distribution of Copper in Blood Serum

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atmire.migration.oldid5690
dc.contributor.advisorWieser, Michael
dc.contributor.authorTennant, Alexander
dc.contributor.committeememberOuyed, Rachid
dc.contributor.committeememberRauk, Arvi
dc.date.accessioned2017-06-15T16:20:29Z
dc.date.available2017-06-15T16:20:29Z
dc.date.issued2017
dc.date.submitted2017en
dc.description.abstractChanges in the stable isotope composition of copper in blood serum as a result of biological processes in the liver were quantified. The model calculated reduced partition function ratios corresponding to interactions involving individual proteins using Density Functional Theory. This quantified the effect that each process had on the redistribution of copper isotopes in the liver. It was not possible to calculate the reduced partition function of CTR1 and an optimization process was used to constrainthe possible isotopic fractionation associated withinteractions involving CTR1. The exchange of copper between ceruloplasmin and ATP7B has the most significant impact on the copper isotopic composition of blood serum. In the absence of values for reduced partition functions and protein concentrations for other processes in the liver, the possible distribution of copper isotopes in the liver was estimated. It was found that there may be large intracellular copper isotope abundance variations in hepatocytes.en_US
dc.identifier.citationTennant, A. (2017). Quantum Chemical Predictions of the Stable Isotope Distribution of Copper in Blood Serum (Master's thesis, University of Calgary, Calgary, Canada). Retrieved from https://prism.ucalgary.ca. doi:10.11575/PRISM/27509en_US
dc.identifier.doihttp://dx.doi.org/10.11575/PRISM/27509
dc.identifier.urihttp://hdl.handle.net/11023/3887
dc.language.isoeng
dc.publisher.facultyGraduate Studies
dc.publisher.institutionUniversity of Calgaryen
dc.publisher.placeCalgaryen
dc.rightsUniversity of Calgary graduate students retain copyright ownership and moral rights for their thesis. You may use this material in any way that is permitted by the Copyright Act or through licensing that has been assigned to the document. For uses that are not allowable under copyright legislation or licensing, you are required to seek permission.
dc.subjectPhysics
dc.subject.otherDensity Functional Theory
dc.subject.otherStable isotope
dc.subject.otherCopper
dc.subject.otherHepatocyte
dc.subject.otherReduced partition function
dc.subject.otherCTR1
dc.subject.otherCeruloplasmin
dc.subject.otherATP7B
dc.subject.otherATOX1
dc.subject.otherBlood serum
dc.subject.otherIsotopic mass balance
dc.titleQuantum Chemical Predictions of the Stable Isotope Distribution of Copper in Blood Serum
dc.typemaster thesis
thesis.degree.disciplinePhysics and Astronomy
thesis.degree.grantorUniversity of Calgary
thesis.degree.nameMaster of Science (MSc)
ucalgary.item.requestcopytrue
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