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Pathway tubes

Effects of nuclear dynamics on electron tunneling in redox proteins have been an important question for the biological electron transfer community. While it has been understood how nuclear dynamics controls the Pranck-Condon factor, little was known until now about how the dynamics affects the tunneling matrix element. Our results show that, when tunneling is dominated by a single pathway tube, dynamical effects are small and Pathways level calculations provide reasonable results. The situation changes when several pathway tub are important and destructive interference exists among them. In this case dynamic amplification becomes important,... [Pg.115]

Pathways Versus Tubes. The essential idea from the pathway approximation is that the Hamiltonian is converted to a searchable network, and one can compute estimates of Tda that are (1) simple products corresponding to the number of bonds involved, and (2) expected to be correct (up to a prefactor) if the couphng provided by the entire protein bridge is well approximated by only the states included on the pathway tube. The concept of finding a best path is dependent on this concept of defining the coupling as a product of constant factors. [Pg.120]

The tubes for 122 and 124 are subsets of those seen for 126 in Figure 6. If one calculates Tda over a bridge that consists of just the states in pathway tubes, and if this coupling is the same as the number one finds over the entire protein, then (31) the protein can be reduced (from an ET point of view) to just the tubes, eliminating irrelevant superstructure to expose the important structural features. [Pg.121]

Figure 6. Sets of pathway tubes for the ET coupling from Cu to Ru(bpy)2(im) in HIS 126-modified azurin. The shaded curves (dashed lines are H-bonds) indicate the cores of the tubes that together are responsible for effectively all the electronic coupling of the protein matrix. Nos. 122 and 124 are like 126, but with a subset of the tubes shown here. The copper ligands are 46, 117, and 112, and the coupling is dominated by the 112 fi-strand. Figure 6. Sets of pathway tubes for the ET coupling from Cu to Ru(bpy)2(im) in HIS 126-modified azurin. The shaded curves (dashed lines are H-bonds) indicate the cores of the tubes that together are responsible for effectively all the electronic coupling of the protein matrix. Nos. 122 and 124 are like 126, but with a subset of the tubes shown here. The copper ligands are 46, 117, and 112, and the coupling is dominated by the 112 fi-strand.
At higher total flow rates, particularly when the Hquid is prone to foaming, the reactor is a pulsed column. This designation arises from the observation that the pressure drop within the catalyst bed cycles at a constant frequency as a result of Hquid temporarily blocking gas or vapor pathways. The pulsed column is not to be confused with the pulse reactor used to obtain kinetic data ia which a pulse of reactant is introduced into a tube containing a small amount of catalyst. [Pg.507]

The porous carbon rod is often the main pathway of escape for the gases formed in the cell. This pathway also allows ingress of oxygen to the cell limiting the shelf life of the system. The use of shrink tube outer wrapping and other devices have, however, improved the leakage property dramatically over prior generation cells. [Pg.522]

Air passing through the NO pathway enters the reaction chamber, where the NO present reacts with the ozone. The light produced is measured by the photomultiplier tube and converted to an NO concentration. The NO2 in the air stream in this pathway is unchanged. In the NO pathway, the NO- and N02-laden air enters the converter, where the NO2 is reduced to form NO all of the NO exits the converter as NO and enters the reaction chamber. The NO reacts with O3 and the output signal is the total NO concentration. The NO2 concentration in the original air stream is the difference between NO and NO. Calibration techniques use gas-phase titration of an NO standard with O3 or an NOj permeation device. [Pg.200]

The furnace areas of WT boilers require the periodic deployment of retractable soot blowers to remove the buildup of soot and combustion products from water-wall tubes to maintain heat transfer and furnace cooling efficiency, as well as to minimize the interference of flue gas pathways. [Pg.81]

Chemical synthesis in vitro (in test tubes) via non-biosynthetic pathways catalyzed by an isolated enzyme... [Pg.240]

Gaseous hydrogen delivery pathway via pipelines and tube trailers. (After U.S. Department of Energy Hydrogen, fuel cells and infrastructure technologies program multi-year research, development and demonstration plan, Section 3.2, Hydrogen Delivery, January 21, 2005.)... [Pg.343]

A dry combustion-direct injection apparatus was applied to water samples by Van Hall et al. [51 ]. The carbon dioxide was measured with a non-dispersive infrared gas analyser. Later developments included a total carbon analyser [97], a diffusion unit for the elimination of carbonates [98], and finally a dual tube which measured total carbon by combustion through one pathway and carbonate carbon through another. Total organic carbon was then calculated as the difference between the two measurements [99]. [Pg.495]

On the basis of the data obtained from the early thermal analysis and tube furnace pyrolysis experiments performed during the initial phases of this investigation, it became apparent that in order to establish the principal reaction pathways to the generation of volatile antimony species, the volatile degradation products of the DBDPO itself would need to be characterized (24, 25). [Pg.113]


See other pages where Pathway tubes is mentioned: [Pg.123]    [Pg.24]    [Pg.146]    [Pg.108]    [Pg.108]    [Pg.113]    [Pg.114]    [Pg.121]    [Pg.123]    [Pg.24]    [Pg.146]    [Pg.108]    [Pg.108]    [Pg.113]    [Pg.114]    [Pg.121]    [Pg.66]    [Pg.172]    [Pg.34]    [Pg.199]    [Pg.222]    [Pg.65]    [Pg.78]    [Pg.80]    [Pg.742]    [Pg.176]    [Pg.205]    [Pg.369]    [Pg.378]    [Pg.651]    [Pg.282]    [Pg.458]    [Pg.152]    [Pg.114]    [Pg.54]    [Pg.164]    [Pg.683]    [Pg.235]    [Pg.320]    [Pg.262]    [Pg.298]    [Pg.19]    [Pg.304]    [Pg.439]    [Pg.449]   


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