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331253 occurrences (No.58 in the rank) during 5 years in the PubMed. [no cache] 500 found

282) Our findings on the diethyl disulfide model system can be transferred to examples from the Protein Data Base.

--- ABSTRACT ---

PMID:24256142 DOI:10.1080/07391102.2013.851034

2015 Journal of biomolecular structure & dynamics

* How the disulfide conformation determines the disulfide/thiol redox potential.

- Protein disulfides can adopt a wide variety of conformations, each having different energies. Limited experimental data suggest that disulfides adopting a high energy have an enhanced likelihood for reduction, but the exact nature of this relation is not clear. Using a computational approach, we give insight on the conformational dependence of the redox behavior of the disulfide bond, which relates structure to reactivity. The relative energy of different conformations of the diethyl disulfide model system correlates with the disulfide/thiol redox potential E°. Insight in the calculated redox potentials is obtained via quantitative molecular orbital theory, and via the decomposition of E° into a vertical electron affinity and a subsequent reorganization term. We have identified the determinants of the disulfide conformational energies and characterized the barrier to rotation around the disulfide bond. Our findings on the diethyl disulfide model system can be transferred to examples from the Protein Data Base. In conclusion, strained disulfide conformations with a high conformational energy have a large tendency to be reduced. Upon reduction, unfavorable interactions are released. This explains why reorganization effects and not a higher tendency to accept electrons account for the high reduction potential of high-energy disulfides.

--- ABSTRACT END ---

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(1)88 null	(12)6 by	(23)3 (ANS)	(34)2 diseases
(2)30 and	(13)6 has	(24)3 (CNS)	(35)2 including
(3)19 is	(14)5 are	(25)3 a	(36)2 involvement
(4)18 of	(15)5 might	(26)3 after	(37)2 known
(5)18 was	(16)5 the	(27)3 as	(38)2 on
(6)17 in	(17)4 Adhesive	(28)3 based	(39)2 one
(7)16 that	(18)4 can	(29)3 development	(40)2 plays
(8)15 for	(19)4 have	(30)3 we	(41)2 related
(9)13 to	(20)4 may	(31)2 (GIS)	(42)2 results
(10)8 which	(21)4 using	(32)2 containing	(43)2 used
(11)7 with	(22)4 were	(33)2 demonstrated

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--- WordNet output for system --- =>制度組織体系的方式, システム, 組織, 整然とした手順, (思想などの)体系, 体制 Overview of noun system The noun system has 9 senses (first 8 from tagged texts) 1. (43) system -- (instrumentality that combines interrelated interacting artifacts designed to work as a coherent entity; "he bought a new stereo system"; "the system consists of a motor and a small computer") 2. (23) system, scheme -- (a group of independent but interrelated elements comprising a unified whole; "a vast system of production and distribution and consumption keep the country going") 3. (14) system -- ((physical chemistry) a sample of matter in which substances in different phases are in equilibrium; "in a static system oil cannot be replaced by water on a surface"; "a system generating hydrogen peroxide") 4. (10) system, system of rules -- (a complex of methods or rules governing behavior; "they have to operate under a system they oppose"; "that language has a complex system for indicating gender") 5. (8) arrangement, organization, organisation, system -- (an organized structure for arranging or classifying; "he changed the arrangement of the topics"; "the facts were familiar but it was in the organization of them that he was original"; "he tried to understand their system of classification") 6. (7) system -- (a group of physiologically or anatomically related organs or parts; "the body has a system of organs for digestion") 7. (6) system -- (a procedure or process for obtaining an objective; "they had to devise a system that did not depend on cooperation") 8. (1) system -- (the living body considered as made up of interdependent components forming a unified whole; "exercise helped him get the alcohol out of his system") 9. organization, organisation, system -- (an ordered manner; orderliness by virtue of being methodical and well organized; "his compulsive organization was not an endearing quality"; "we can't do it unless we establish some system around here") --- WordNet end ---