Models of Superoxide Dismutases (open access)

Models of Superoxide Dismutases

In this review we have focused much of our discussion on the mechanistic details of how the native enzymes function and how mechanistic developments/insights with synthetic small molecule complexes possessing SOD activity have influenced our understanding of the electron transfer processes involved with the natural enzymes. A few overriding themes have emerged. Clearly, the SOD enzymes operate at near diffusion controlled rates and to achieve such catalytic turnover activity, several important physical principles must be operative. Such fast electron transfer processes requires a role for protons; i.e., proton-coupled electron transfer (''H-atom transfer'') solves the dilemma of charge separation developing in the transition state for the electron transfer step. Additionally, outer-sphere electron transfer is likely a most important pathway for manganese and iron dismutases. This situation arises because the ligand exchange rates on these two ions in water never exceed {approx}10{sup +7} s{sup -1}; consequently, 10{sup +9} catalytic rates require more subtle mechanistic insights. In contrast, copper complexes can achieve diffusion controlled (>10{sup +9}) exchange rates in water; thus inner-sphere electron transfer processes are more likely to be operative in the Cu/Zn enzymes. Recent studies have continued to expand our understanding of the mechanism of action of this most important class …
Date: May 20, 1998
Creator: Cabelli, Diane E.; Riley, Dennis; Rodriguez, Jorge A.; Valentine, Joan Selverstone & Zhu, Haining
Object Type: Book
System: The UNT Digital Library
Dissolution test for low-activity waste product acceptance. (open access)

Dissolution test for low-activity waste product acceptance.

We have measured the mean and standard deviation of the solution concentrations of B, Na, and Si attained in replicate dissolution tests conducted at temperatures of 20, 40, and 70 C, for durations of 3 and 7 days, and at glass/water mass ratios of 1:10 and 1:1. These and other tests were conducted to evaluate the adequacy of the test methods specified in privatization contracts and to develop a data base that can be used to evaluate the reliability of reported results for tests performed on the waste products. Tests were conducted with a glass that we formulated to be similar to low-activity waste products that will be produced during the remediation of Hanford tank wastes. Statistical analyses indicated that, while the mean concentrations of B, Na, and Si were affected by the values of test parameters, the standard deviation of replicate tests was not. The precision of the tests was determined primarily by uncertainties in the analysis of the test solutions. Replicate measurements of other glass properties that must be reported for Hanford low-activity waste products were measured to evaluate the possible adoption of the glass used in these tests as a standard test material for the product acceptance …
Date: May 20, 1998
Creator: Ebert, W. L.
Object Type: Article
System: The UNT Digital Library
LASNEX modeling of target expansion in the ETA-II experiment (open access)

LASNEX modeling of target expansion in the ETA-II experiment

We have used the hydrodynamics code LASNEX to model the hydro-expansion of the tantalum target for the ETA-II experiment. The electron beam has kinetic energy of 6 MeV and has a total energy ranges from 720 to 1440 J. The electron beam profile resembles that of a Bennett pinch. The radius for the full-width-at-half-maximum ranges from 1 to 3 mm. For all these parameters, simulations show that the electron beam is able to ablate the central portion of the target. The expansion velocity of the target ranges from about 10� to 5 x 105 cm/s. The target is hot enough so that the surrounding low-density air is ionized and is expanding at a considerably higher velocity than the target itself. Therefore, care must be taken during the experiment to ensure that the measurement is for the tantalum and not for the ionized air.
Date: May 20, 1998
Creator: Ho, D D-M
Object Type: Report
System: The UNT Digital Library
Parallelization of an unstructured grid, hydrodynamic-diffusion code (open access)

Parallelization of an unstructured grid, hydrodynamic-diffusion code

We describe the parallelization of a three dimensional, un structured grid, finite element code which solves hyperbolic conservation laws for mass, momentum, and energy, and diffusion equations modeling heat conduction and radiation transport. Explicit temporal differencing advances the cell-based gasdynamic equations. Diffusion equations use fully implicit differencing of nodal variables which leads to large, sparse, symmetric, and positive definite matrices. Because of the unstructured grid, the off-diagonal non-zero elements appear in unpredictable locations. The linear systems are solved using parallelized conjugate gradients. The code is parailelized by domain decomposition of physical space into disjoint subdomains (SDS). Each processor receives its own SD plus a border of ghost cells. Results are presented on a problem coupling hydrodynamics to non-linear heat cond
Date: May 20, 1998
Creator: Milovich, J L & Shestakov, A
Object Type: Article
System: The UNT Digital Library
Geophysical tomography imaging system. Final CRADA report (open access)

Geophysical tomography imaging system. Final CRADA report

The Cooperative Research and Development Agreement (CRADA) between Lockheed Martin Energy Systems, Inc., and Geophex, Ltd., was established to investigate high-resolution, shallow acoustic imaging of the subsurface. The primary objectives of the CRADA were accomplished, including the evaluation of a new tomographic imaging algorithm and the testing and comparison of two different acoustic sources, the hammer/plate source and an electromagnetic vibratory source. The imaging system was composed essentially of a linear array of geophones, a digital seismograph, and imaging software installed on a personal computer. Imaging was most successful using the hammer source, which was found to be less susceptible to ground roll (surface wave) interference. It is conjectured that the vibratory source will perform better for deeper targets for which ground roll is less troublesome. Potential applications of shallow acoustic imaging are numerous, including the detection and characterization of buried solid waste, unexploded ordnance, and clandestine man-made underground structures associated with treaty verification (e.g., tunnels, underground storage facilities, hidden bunkers).
Date: May 20, 1998
Creator: Norton, S. J. & Won, I. J.
Object Type: Report
System: The UNT Digital Library
Privatization contractor transfer/feed line corridor obstructions (open access)

Privatization contractor transfer/feed line corridor obstructions

One of the issues that came out of the Tank Waste Remediation System (TWRS) Privatization Interface Control Document (ICD) effort was the need to identify below grade obstructions that exist where the TWRS Privatization Phase 1 transfer/feed corridors pass through the former Grout complex (ICD Issue 9C). Due to the numerous phases of construction at the complex, and the lack of consolidated facility configuration drawings, as-built (or as-recorded) information on the area is difficult to find, let alone decipher. To resolve the issue, this study was commissioned to identify and consolidate the as-recorded information available (drawings and Engineering Change Notices, ECNS).
Date: May 20, 1998
Creator: Parazin, R.J.
Object Type: Report
System: The UNT Digital Library
Hanford facility dangerous waste Part A, Form 3 and Part B permit application documentation, Central Waste Complex (WA7890008967)(TSD: TS-2-4) (open access)

Hanford facility dangerous waste Part A, Form 3 and Part B permit application documentation, Central Waste Complex (WA7890008967)(TSD: TS-2-4)

The Hanford Facility Dangerous Waste Permit Application is considered to be a single application organized into a General Information Portion (document number DOE/RL-91-28) and a Unit-Specific Portion. The scope of the Unit-Specific Portion is limited to Part B permit application documentation submitted for individual, operating, treatment, storage, and/or disposal units, such as the Central Waste Complex (this document, DOE/RL-91-17). Both the General Information and Unit-Specific portions of the Hanford Facility Dangerous Waste Permit Application address the content of the Part B permit application guidance prepared by the Washington State Department of Ecology (Ecology 1996) and the U.S. Environmental Protection Agency (40 Code of Federal Regulations 270), with additional information needed by the Hazardous and Solid Waste Amendments and revisions of Washington Administrative Code 173-303. For ease of reference, the Washington State Department of Ecology alpha-numeric section identifiers from the permit application guidance documentation (Ecology 1996) follow, in brackets, the chapter headings and subheadings. A checklist indicating where information is contained in the Central Waste Complex permit application documentation, in relation to the Washington State Department of Ecology guidance, is located in the Contents section. Documentation contained in the General Information Portion is broader in nature and could be used by …
Date: May 20, 1998
Creator: Saueressig, D.G.
Object Type: Report
System: The UNT Digital Library
Metallic uranium ZPPR fuel : corrosion characteristics and corrosion product oxidation kinetics. (open access)

Metallic uranium ZPPR fuel : corrosion characteristics and corrosion product oxidation kinetics.

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Date: May 20, 1998
Creator: Totemeier, T. C.; Pahl, R. G.; Hayes, S. L. & Frank, S. M.
Object Type: Report
System: The UNT Digital Library