Quantum Chemical Predictions of the Stable Isotope Distribution of Copper in Blood Serum
Abstract
Changes 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.
Description
Keywords
Physics
Citation
Tennant, 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/27509