A computational investigation of the intrinsic electric field of ATP synthase

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dc.contributor.advisor Matta, Chérif F.
dc.creator Cheng, Youji
dc.date.accessioned 2020-02-20T14:40:57Z
dc.date.available 2020-02-20T14:40:57Z
dc.date.issued 2019
dc.identifier.other QP609 A3 C48 2019
dc.identifier.uri http://library2.smu.ca/handle/01/29289
dc.description 91 leaves : illustrations (chiefly colour) ; 29 cm
dc.description Includes abstract and appendices.
dc.description Includes bibliographical references (leaves 67-72).
dc.description.abstract Mitchell&rsquo;s chemiosmotic theory stipulates that an electrochemical gradient of protons across the inner mitochondrial membrane provides the free energy for the biosynthesis of adenosine 5&rsquo;-triphosphate (ATP). This proton gradient generates an electric field of ~ 10<sup>7</sup> V∙m<sup>-1</sup>. It is hypothesized that ATP synthase, the enzyme catalyzing ATP synthesis, itself generates a field/potential comparable to that of the proton gradient. A programme, PrES, was developed to compute the intrinsic field/potential of ATP synthase (or that of any protein). The calculated field/potential by PrES is based on AMBER charges and is found to be of sufficient accuracy within the biological context. The intrinsic field of ATP synthase is found to be of strengths 10<sup>6</sup> - 10<sup>8</sup> V∙m<sup>-1</sup> around the protein and is associated with a voltage of ~ 70 mV between its extremities. This potential difference adds a &Delta;G of around -7 kJ (per mol of protons), a significant correction as hypothesized en_CA
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dc.language.iso en en_CA
dc.publisher Halifax, N.S. : Saint Mary's University
dc.subject.lcc QP609.A3
dc.subject.lcsh Adenosine triphosphatase
dc.subject.lcsh Electric fields
dc.subject.lcsh Chemiosmosis
dc.title A computational investigation of the intrinsic electric field of ATP synthase en_CA
dc.type Text en_CA
thesis.degree.name Master of Science in Applied Science
thesis.degree.level Masters
thesis.degree.discipline Chemistry
thesis.degree.grantor Saint Mary's University (Halifax, N.S.)
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