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Proton Transport in Proteins and the...
~
Salna, Bridget I.
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Proton Transport in Proteins and the Role of Quantum Tunneling.
紀錄類型:
書目-電子資源 : Monograph/item
正題名/作者:
Proton Transport in Proteins and the Role of Quantum Tunneling./
作者:
Salna, Bridget I.
出版者:
Ann Arbor : ProQuest Dissertations & Theses, : 2017,
面頁冊數:
265 p.
附註:
Source: Dissertation Abstracts International, Volume: 78-09(E), Section: B.
Contained By:
Dissertation Abstracts International78-09B(E).
標題:
Biophysics. -
電子資源:
http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10260919
ISBN:
9781369759778
Proton Transport in Proteins and the Role of Quantum Tunneling.
Salna, Bridget I.
Proton Transport in Proteins and the Role of Quantum Tunneling.
- Ann Arbor : ProQuest Dissertations & Theses, 2017 - 265 p.
Source: Dissertation Abstracts International, Volume: 78-09(E), Section: B.
Thesis (Ph.D.)--Northeastern University, 2017.
Proton transport is ubiquitous in biological systems and has been studied extensively, both with experimental and theoretical methods. A better understanding of this phenomenon is sought because it underpins many fundamental mechanisms that sustain life, such as cellular respiration, photosynthesis, and drug metabolism. Many of these processes involve proton wires within proteins, in which protons are transported for use in biochemical reactions.
ISBN: 9781369759778Subjects--Topical Terms:
518360
Biophysics.
Proton Transport in Proteins and the Role of Quantum Tunneling.
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Proton transport is ubiquitous in biological systems and has been studied extensively, both with experimental and theoretical methods. A better understanding of this phenomenon is sought because it underpins many fundamental mechanisms that sustain life, such as cellular respiration, photosynthesis, and drug metabolism. Many of these processes involve proton wires within proteins, in which protons are transported for use in biochemical reactions.
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This work examines the contribution of quantum tunneling to proton transport and proposes a primary role for tunneling in regulating this process. This work discusses and improves upon the current theoretical models of proton tunneling in proteins and investigates the implications of considering tunneling to be the dominant transport channel. By including deep quantum tunneling under high potential barriers as a viable proton transport pathway, ionization-resistant residues such as serine and threonine can be considered as active constituents of proton wires. These residues have previously been found along many proton wires in proteins, but are seldom identified as transport elements. One notable exception is the green fluorescent protein (GFP), in which serine has been established as an active element of the well-characterized internal proton wire. This makes GFP an important model system to test the role of quantum tunneling in proton transport within proteins. This is one of the main projects discussed in this work, in which the biologically relevant ground state process is considered in depth. The rate-limiting step at room temperature is assigned to deep tunneling from the serine hydroxyl with a rate that is orders of magnitude faster than the classical pathway. This suggests how high pKa residues can act to stabilize and regulate proton flow along proton wires in proteins.
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The role of quantum tunneling in enzymatic systems is also explored, in which proton coupled electron transfer (PCET) is often the critical process. The PCET in soybean lipoxygenase-1 (SLO), as well as its double mutant, is analyzed using a modified model of donor-acceptor atom interaction. This includes effects of electronic repulsion, external protein forces, and charge/bond polarization. Distinct mechanisms are proposed for the two species of SLO, in which the wild type forms an activated state with the substrate positioned close to the active site, while the double mutant is constrained to longer distances and transfer is only possible due to its increased flexibility.
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