Web-Ice: Integrated Data Collection and Analysis for Macromolecular Crystallography (open access)

Web-Ice: Integrated Data Collection and Analysis for Macromolecular Crystallography

New software tools are introduced to facilitate diffraction experiments involving largenumbers of crystals. While existing programs have long provided a framework for lattice indexing, Bragg spot integration, and symmetry determination, these initial data processing steps often require significant manual effort. This limits the timely availability of data analysis needed for high-throughput procedures, including the selection of the best crystals from a large sample pool, and the calculation of optimal data collection parameters to assure complete spot coverage with minimal radiation damage. To make these protocols more efficient, we developed a network of software applications and application servers, collectively known as Web-Ice. When the package is installed at a crystallography beamline, a programming interface allows the beamline control software (e.g., Blu-Ice / DCSS) to trigger data analysis automatically. Results are organized based on a list of samples that the user provides, and are examined within a Web page, accessible both locally at the beamline or remotely. Optional programming interfaces permit the user tocontrol data acquisition through the Web browser. The system as a whole is implemented to support multiple users and multiple processors, and can be expanded to provide additional scientific functionality. Web-Ice has a distributed architecture consisting of several stand-alone …
Date: October 10, 2007
Creator: Gonzalez, Ana; Gonzalez, Ana; Moorhead, Penjit; McPhillips, Scott E.; Song, Jinhu; Sharp, Ken et al.
System: The UNT Digital Library
Calculation Of Change-Changing Cross Sections Of IONS Or Atoms Colliding With Fast IONS Using The Classical Trajectory Method (open access)

Calculation Of Change-Changing Cross Sections Of IONS Or Atoms Colliding With Fast IONS Using The Classical Trajectory Method

Evaluation of ion-atom charge-changing cross sections is needed for many accelerator applications. A classical trajectory Monte Carlo (CTMC) simulation has been used to calculate ionization and charge exchange cross sections. For benchmarking purposes, an extensive study has been performed for the simple case of hydrogen and helium targets in collisions with various ions. Despite the fact that the simulation only accounts for classical mechanics, the calculations are comparable to experimental results for projectile velocities in the region corresponding to the vicinity of the maximum cross section. Shortcomings of the CTMC method for multielectron target atoms are discussed.
Date: October 10, 2008
Creator: Kaganovich, I. D., Shnidman, Ariel, Mebane, Harrison, Davidson, R.C.
System: The UNT Digital Library
Power Corrections in Charmless Nonleptonic B Decays: Annihilationis Factorizable and Real (open access)

Power Corrections in Charmless Nonleptonic B Decays: Annihilationis Factorizable and Real

We classify {Lambda}{sub QCD}/m{sub b} power corrections to nonleptonic B {yields} M{sub 1}M{sub 2} decays, where M{sub 1,2} are charmless non-isosinglet mesons. Using recent developments in soft-collinear effective theory, we prove that the leading contributions to annihilation amplitudes of order {alpha}{sub s}(m{sub b}) {Lambda}{sub QCD}/m{sub b} are real. The leading annihilation amplitudes depend on twist-2 and the twist-3 three parton distributions. A complex nonperturbative parameter from annihilation first appears at {Omega}[{alpha}{sub s}{sup 2}({radical}{Lambda}m{sub b}){Lambda}{sub QCD}/m{sub b}]. 'Chirally enhanced' contributions are also factorizable and real at lowest order. Thus, incalculable strong phases are suppressed in annihilation amplitudes, unless the {alpha}{sub s}({radical}{Lambda}m{sub b}) expansion breaks down. Modeling the distribution functions, we find that (11 {+-} 9)% and (15 {+-} 11)% of the absolute values of the measured {bar B}{sup 0} {yields} K{sup -}{pi}{sup +} and B{sup -} {yields} K{sup -}K{sup 0} penguin amplitudes come from annihilation. This is consistent with the expected size of power corrections.
Date: October 10, 2006
Creator: Arnesen, Christian M.; Ligeti, Zoltan; Rothstein, Ira Z. & Stewart, Iain W.
System: The UNT Digital Library
Influence of interface exchange coupling in perpendicular anisotropy [Pt/Co]50/TbFe bilayers (open access)

Influence of interface exchange coupling in perpendicular anisotropy [Pt/Co]50/TbFe bilayers

We present the magnetization evolution of perpendicular anisotropy TbFe and [Co/Pt]{sub 50} thin films either in direct contact resulting in antiferromagnetic interfacial coupling or separated by a thick Pt layer. Magnetometry and x-ray magnetic circular dichroism spectroscopy determine the spatially averaged magnetic properties. Resonant magnetic x-ray small-angle scattering and magnetic soft X-ray transmission microscopy probed the domain configurations and correlations in the reversal processes. While the Co/Pt multilayer reverses by domain propagation, the TbFe magnetization reversal is found to be dominated either by coherent magnetization reversal processes or by lateral domain formation depending on the interface exchange coupling. In the presence of lateral domains, dipolar field induced domain replication phenomena are observed.
Date: October 10, 2007
Creator: Mangin, S.; Hauet, T.; Fischer, P.; Kim, D.H.; Kortright, J.B.; Chesnel, K. et al.
System: The UNT Digital Library
The "Athena Framework": Solving the World-wide Climate and Energy Problem (open access)

The "Athena Framework": Solving the World-wide Climate and Energy Problem

The energy systems we have enjoyed for the last 100 years has resulted in the advanced standard of living in the developed world and a major emerging problem with climate change. Now we face a simultaneous realization that our reliance on fossil fuels is a source of conflict and economic disruption as well as causing potentially catastrophic global climate change. It is time to give serious thought to how to collectively solve this problem. Collective action is critical since individual effort by one or only a few nations cannot adequately address the issue.
Date: October 10, 2005
Creator: Long, J S
System: The UNT Digital Library
Small-Scale Readout System Prototype for the STAR PIXEL Detector (open access)

Small-Scale Readout System Prototype for the STAR PIXEL Detector

Development and prototyping efforts directed towards construction of a new vertex detector for the STAR experiment at the RHIC accelerator at BNL are presented. This new detector will extend the physics range of STAR by allowing for precision measurements of yields and spectra of particles containing heavy quarks. The innermost central part of the new detector is a high resolution pixel-type detector (PIXEL). PIXEL requirements are discussed as well as a conceptual mechanical design, a sensor development path, and a detector readout architecture. Selected progress with sensor prototypes dedicated to the PIXEL detector is summarized and the approach chosen for the readout system architecture validated in tests of hardware prototypes is discussed.
Date: October 10, 2008
Creator: Szelezniak, Michal; Anderssen, Eric; Greiner, Leo; Matis, Howard; Ritter, Hans Georg; Stezelberger, Thorsten et al.
System: The UNT Digital Library
Risk Assessment Using The Homeland-Defense Operational Planning System (HOPS) (open access)

Risk Assessment Using The Homeland-Defense Operational Planning System (HOPS)

The Homeland-Defense Operational Planning System (HOPS), is a new operational planning tool leveraging Lawrence Livermore National Laboratory's expertise in weapons systems and in sparse information analysis to support the defense of the U.S. homeland. HOPS provides planners with a basis to make decisions to protect against acts of terrorism, focusing on the defense of facilities critical to U.S. infrastructure. Criticality of facilities, structures, and systems is evaluated on a composite matrix of specific projected casualty, economic, and sociopolitical impact bins. Based on these criteria, significant unidentified vulnerabilities are identified and secured. To provide insight into potential successes by malevolent actors, HOPS analysts strive to base their efforts mainly on unclassified open-source data. However, more cooperation is needed between HOPS analysts and facility representatives to provide an advantage to those whose task is to defend these facilities. Evaluated facilities include: refineries, major ports, nuclear power plants and other nuclear licensees, dams, government installations, convention centers, sports stadiums, tourist venues, and public and freight transportation systems. A generalized summary of analyses of U.S. infrastructure facilities will be presented.
Date: October 10, 2005
Creator: Price, D E & Durling, R L
System: The UNT Digital Library
Advances in Concentrating Solar Power Collectors: Mirrors and Solar Selective Coatings (open access)

Advances in Concentrating Solar Power Collectors: Mirrors and Solar Selective Coatings

The intention is to explore the feasibility of depositing the coating by lower-cost methods and to perform a rigorous cost analysis after a viable high-temperature solar-selective coating is demonstrated by e-beam.
Date: October 10, 2007
Creator: Kenendy, C. E.
System: The UNT Digital Library
The KL Mix Model Applied to Directly Driven Capsules on the Omega Laser (open access)

The KL Mix Model Applied to Directly Driven Capsules on the Omega Laser

The coefficients of the KL mix model were set by Dimonte to match RT and RM instabilities as measured on the Linear Electric Motor (LEM). The KL mix model has been applied to directly-driven capsule implosions with a variety of laser energies, ablator materials, ablator thicknesses and convergence ratios. The KL calculations nearly match the observed Y{sub DD}, Y{sub DT}, Y{sub P}, T{sub ion} and implosion times for many (but not all) capsules.
Date: October 10, 2005
Creator: Tipton, R. E.; Mikaelian, K. O.; Park, H.; Dimonte, G.; Rygg, J. R. & Li, C. K.
System: The UNT Digital Library
Controlling Charge and Current Neutralization of an Ion Beam Pulse in a Background Plasma by Application of a Solenoidal Magnetic Field I: Weak Magnetic Field Limit (open access)

Controlling Charge and Current Neutralization of an Ion Beam Pulse in a Background Plasma by Application of a Solenoidal Magnetic Field I: Weak Magnetic Field Limit

Propagation of an intense charged particle beam pulse through a background plasma is a common problem in astrophysics and plasma applications. The plasma can effectively neutralize the charge and current of the beam pulse, and thus provides a convenient medium for beam transport. The application of a small solenoidal magnetic field can drastically change the self-magnetic and self- electric fields of the beam pulse, thus allowing effective control of the beam transport through the background plasma. An analytic model is developed to describe the self-magnetic field of a finite- length ion beam pulse propagating in a cold background plasma in a solenoidal magnetic field. The analytic studies show that the solenoidal magnetic field starts to infuence the self-electric and self-magnetic fields when ωce > ωpeβb, where ωce = eβ/mec is the electron gyrofrequency, ωpe is the electron plasma frequency, and βb = Vb/c is the ion beam velocity relative to the speed of light. This condition typically holds for relatively small magnetic fields (about 100G). Analytical formulas are derived for the effective radial force acting on the beam ions, which can be used to minimize beam pinching. The results of analytic theory have been verified by comparison with the simulation …
Date: October 10, 2008
Creator: Kaganovich, I. D., Startsev, E. A., Sefkow, A. B., Davidson, R. C.
System: The UNT Digital Library
51st Annual Radiobioassay & Radiochemical Measurements Conference Proceedings (open access)

51st Annual Radiobioassay & Radiochemical Measurements Conference Proceedings

None
Date: October 10, 2005
Creator: Wong, C. & Lane, G.
System: The UNT Digital Library
THM Model Validation: Integrated Assessment of Measured and Predicted Behavior (open access)

THM Model Validation: Integrated Assessment of Measured and Predicted Behavior

This paper presents results of coupled thermal-hydrological-mechanical (THM) simulations of two field-scale tests that are part of the thermal testing program being conducted by the Yucca Mountain Site Characterization Project. The two tests analyzed are the Drift-Scale Test (DST) which is sited in an alcove of the Exploratory Studies Facility at Yucca Mountain, Nevada, and the Large Block Test (LBT) which is sited at Fran Ridge, near Yucca Mountain, Nevada. Both of these tests were designed to investigate coupled thermal-mechanical-hydrological-chemical (TMHC) behavior in a fractured, densely welded ash-flow tuff. The geomechanical response of the rock mass forming the DST and the LBT is analyzed using a coupled THM model. A coupled model for analysis of the DST and LBT has been formulated by linking the 3DEC distinct element code for thermal-mechanical analysis and the NUFT finite element code for thermal-hydrologic analysis. The TH model (NUFT) computes temperatures at preselected times using a model that extends from the surface to the water table. The temperatures computed by NUFT are input to 3DEC, which then computes stresses and deformations. The distinct element method was chosen to permit the inclusion of discrete fractures and explicit modeling of fracture deformations. Shear deformations and normal …
Date: October 10, 2001
Creator: Blair, S C; Carlson, S R; Wagoner, J; Wagner, R & Vogt, T
System: The UNT Digital Library
Free flow electrophoresis separation and AMS quantitation of 14C-naphthalene-protein adducts (open access)

Free flow electrophoresis separation and AMS quantitation of 14C-naphthalene-protein adducts

None
Date: October 10, 2008
Creator: Buchholz, B. A.; Haack, K. W.; Sporty, J. L.; Buckpitt, A. R. & Morin, D.
System: The UNT Digital Library
Inverse hydrochemical models of aqueous extracts tests (open access)

Inverse hydrochemical models of aqueous extracts tests

Aqueous extract test is a laboratory technique commonly used to measure the amount of soluble salts of a soil sample after adding a known mass of distilled water. Measured aqueous extract data have to be re-interpreted in order to infer porewater chemical composition of the sample because porewater chemistry changes significantly due to dilution and chemical reactions which take place during extraction. Here we present an inverse hydrochemical model to estimate porewater chemical composition from measured water content, aqueous extract, and mineralogical data. The model accounts for acid-base, redox, aqueous complexation, mineral dissolution/precipitation, gas dissolution/ex-solution, cation exchange and surface complexation reactions, of which are assumed to take place at local equilibrium. It has been solved with INVERSE-CORE{sup 2D} and been tested with bentonite samples taken from FEBEX (Full-scale Engineered Barrier EXperiment) in situ test. The inverse model reproduces most of the measured aqueous data except bicarbonate and provides an effective, flexible and comprehensive method to estimate porewater chemical composition of clays. Main uncertainties are related to kinetic calcite dissolution and variations in CO2(g) pressure.
Date: October 10, 2008
Creator: Zheng, L.; Samper, J. & Montenegro, L.
System: The UNT Digital Library
Ground surface temperature reconstructions: Using in situ estimates for thermal conductivity acquired with a fiber-optic distributed thermal perturbation sensor (open access)

Ground surface temperature reconstructions: Using in situ estimates for thermal conductivity acquired with a fiber-optic distributed thermal perturbation sensor

We have developed a borehole methodology to estimate formation thermal conductivity in situ with a spatial resolution of one meter. In parallel with a fiber-optic distributed temperature sensor (DTS), a resistance heater is deployed to create a controlled thermal perturbation. The transient thermal data is inverted to estimate the formation's thermal conductivity. We refer to this instrumentation as a Distributed Thermal Perturbation Sensor (DTPS), given the distributed nature of the DTS measurement technology. The DTPS was deployed in permafrost at the High Lake Project Site (67 degrees 22 minutes N, 110 degrees 50 minutes W), Nunavut, Canada. Based on DTPS data, a thermal conductivity profile was estimated along the length of a wellbore. Using the thermal conductivity profile, the baseline geothermal profile was then inverted to estimate a ground surface temperature history (GSTH) for the High Lake region. The GSTH exhibits a 100-year long warming trend, with a present-day ground surface temperature increase of 3.0 {+-} 0.8 C over the long-term average.
Date: October 10, 2008
Creator: Freifeld, B. M.; Finsterle, S.; Onstott, T. C.; Toole, P. & Pratt, L. M.
System: The UNT Digital Library
YY1 modulates taxane response in epithelial ovarian cancer (open access)

YY1 modulates taxane response in epithelial ovarian cancer

The results of this study show that a high YY1 gene signature (characterized by coordinate elevated expression of transcription factor YY1 and putative YY1 target genes) within serous epithelial ovarian cancers is associated with enhanced response to taxane-based chemotherapy and improved survival. If confirmed in a prospective study, these results have important implications for the potential future use of individualized therapy in treating patients with ovarian cancer. Identification of the YY1 gene signature profile within a tumor prior to initiation of chemotherapy may provide valuable information about the anticipated response of these tumors to taxane-based drugs, leading to better informed decisions regarding chemotherapeutic choice. Survival of ovarian cancer patients is largely dictated by their response to chemotherapy, which depends on underlying molecular features of the malignancy. We previously identified YIN YANG 1 (YY1) as a gene whose expression is positively correlated with ovarian cancer survival. Herein we investigated the mechanistic basis of this association. Epigenetic and genetic characteristics of YY1 in serous epithelial ovarian cancer (SEOC) were analyzed along with YY1 mRNA and protein. Patterns of gene expression in primary SEOC and in the NCI60 database were investigated using computational methods. YY1 function and modulation of chemotherapeutic response in vitro …
Date: October 10, 2008
Creator: Matsumura, Noriomi; Huang, Zhiqing; Baba, Tsukasa; Lee, Paula S.; Barnett, Jason C.; Mori, Seiichi et al.
System: The UNT Digital Library
Influences of organic carbon supply rate on uranium bioreduction in initially oxidizing, contaminated sediment (open access)

Influences of organic carbon supply rate on uranium bioreduction in initially oxidizing, contaminated sediment

None
Date: October 10, 2008
Creator: Tokunaga, T. K.; Wan, J.; Kim, Y.; Daly, R. A.; Brodie, E. L.; Hazen, T. C. et al.
System: The UNT Digital Library
Alternatives to Seesaw (open access)

Alternatives to Seesaw

The seesaw mechanism is attractive not only because it"explains'' small neutrino mass, but also because of its packaging with the SUSY-GUT, leptogenesis, Dark Matter, and electroweak symmetry breaking. However, this package has the flavor, CP, and gravitino problems. I discuss two alternatives to the seesaw mechanism. In one of them, the anomaly-mediated supersymmetry breaking solves these problems, while predicts naturally light Dirac neutrinos. In the other, the light Majorana neutrinos arise from supersymmetry breaking with right-handed neutrinos below TeV, and the Dark Matter and collider phenomenology are significantly different.
Date: October 10, 2004
Creator: Murayama, Hitoshi
System: The UNT Digital Library
A novel approach to the study of the functional proteome in breast cancer (open access)

A novel approach to the study of the functional proteome in breast cancer

Factors including intratumoral heterogeneity and variability in tissue handling potentially hamper the application of reverse phase protein arrays (RPPA) to study of the solid tumor functional proteome. To address this, RPPA was applied to quantify protein expression and activation in 233 human breast tumors and 52 breast cancer cell lines. Eighty-two antibodies that recognize kinase and steroid signaling events and their effectors were validated for RPPA because of the importance of these proteins to breast carcinogenesis. Reproducibility in replicate lysates was excellent. Intratumoral protein expression was less variable than intertumoral expression, and prognostic biomarkers retained the ability to accurately predict patient outcomes when analyzed in different tumor sites. Although 21/82 total and phosphoproteins demonstrated time-dependent instability in breast tumors that were placed at room temperature after surgical excision for 24 hours prior to freezing, the functional proteomic 'fingerprint' was robust in most tumors until at least 24 hours before tissue freezing. Correlations between RPPA and immunohistochemistry were statistically significant for assessed proteins but RPPA demonstrated a superior dynamic range and detected, for example, an 866-fold difference in estrogen receptor alpha level across breast tumors. Protein and mRNA levels were concordant (at p {le} 0.05) for 41.3% and 61.1% of assayed …
Date: October 10, 2008
Creator: Hennessy, Bryan; Lu, Yiling; Gonzalez-Angulo, Ana Maria; Carey, Mark; Myhre, Simen; Ju, Zhenlin et al.
System: The UNT Digital Library
X-Ray Observations of Unidentified H.E.S.S. Gamma-Ray Sources (open access)

X-Ray Observations of Unidentified H.E.S.S. Gamma-Ray Sources

In a survey of the inner part of the Galaxy, performed with the H.E.S.S. Instrument (High energy stereoscopic system) in 2004 and 2005, a large number of new unidentified very high energy (VHE) {gamma}-ray sources above an energy of 100 GeV was discovered. Often the {gamma}-ray spectra in these sources reach energies of up to {approx} 10 TeV. These are the highest energy particles ever attributed to single astrophysical objects. While a few of these sources can be identified at other wavebands, most of these sources remain unidentified so far. A positive identification of these new g-ray sources with a counterpart object at other wavebands requires (a) a positional coincidence between the two sources,( b) a viable {gamma}-ray emission mechanism and (c) a consistent multiwavelength behavior of the two sources. X-ray observations with satellites such as XMM-Newton, Chandra or Suzaku provide one of the best channels to studying these enigmatic {gamma}-ray sources at other wavebands, since they combine high angular resolution and sensitivity with the ability to access non-thermal electrons through their synchrotron emission. We therefore have started a dedicated program to investigate VHE {gamma}-ray sources with high-sensitivity X-ray instruments.
Date: October 10, 2007
Creator: Funk, S.
System: The UNT Digital Library
The significance of the erosion-induced terrestrial carbonsink (open access)

The significance of the erosion-induced terrestrial carbonsink

Estimating carbon (C) balance in erosional and depositionallandscapes is complicated by the effects of soil redistribution on bothnet primary productivity (NPP) and decomposition. Recent studies arecontradictory as to whether soil erosion does or does not constitute a Csink. Here we clarify the conceptual basis for how erosion can constitutea C sink. Specifically, the criterion for an erosional C sink is thatdynamic replacement of eroded C, and reduced decomposition rates indepositional sites, must together more than compensate for erosionallosses. This criterion is in fact met in many erosional settings, andthus erosion and deposition can make a net positive contribution to Csequestration. We show that, in a cultivated Mississippi watershed and acoastal California watershed, the magnitude of the erosion-induced C sinkis likely to be on the order of 1 percent of NPP and 16 percent of erodedC. Although soil erosion has serious environmental impacts, the annualerosion-induced C sink offsets up to 10 percent of the global fossil fuelemissions of carbon dioxide for 2005.
Date: October 10, 2006
Creator: Berhe, A.A.; Harte, J.; Harden, J.W. & Torn, M.S.
System: The UNT Digital Library
Integration of Predicted Atmospheric Contaminant Plumes into ArcView GIS (open access)

Integration of Predicted Atmospheric Contaminant Plumes into ArcView GIS

The Savannah River National Laboratory (SRNL) plays a key role in emergency response scenarios in which there may be a release of atmospheric chemical or radiological contamination at the DOE's Savannah River Site (SRS). Meteorologists at SRNL use a variety of tools to predict the path of the plume and levels of contamination along the path. These predictions are used to guide field teams that take sample measurements for verification. Integration of these predicted plumes as well as field measurements into existing Geographic Information System (GIS) interactive maps provides key additional information for decision makers during an emergency. In addition, having this information in GIS format facilitates sharing the information with other agencies that use GIS. In order to be useful during an emergency, an application for converting predictions or measurements into GIS format must be automated and simple to use. Thus, a key design goal in developing such applications is ease of use. Simple menu selections and intuitive forms with graphical user interfaces are used to accomplish this goal. Applications have been written to convert two different predictive code results into ArcView GIS. Meteorologists at SRNL use the Puff/Plume code, which is tied to real-time wind data, to predict …
Date: October 10, 2005
Creator: Koffman, Larry D.
System: The UNT Digital Library
GLAST and Ground-Based Gamma-Ray Astronomy (open access)

GLAST and Ground-Based Gamma-Ray Astronomy

The launch of the Gamma-ray Large Area Space Telescope (GLAST) in 2007 will open the possibility of combined studies of astrophysical sources with existing ground-based VHE {gamma}-ray experiments such as H.E.S.S., VERITAS and MAGIC. Ground-based {gamma}-ray observatories provide complementary capabilities for spectral, temporal, spatial and population studies of high-energy {gamma}-ray sources. Joint observations cover a huge energy range, from 20 MeV to over 50 TeV. The LAT will survey the entire sky every three hours, allowing us to perform long-term monitoring of variable sources under uniform observation conditions and to detect flaring sources promptly. Imaging atmospheric Cherenkov telescopes (IACTs) will complement these observations with high-sensitivity pointed observations on regions of interest.
Date: October 10, 2007
Creator: Funk, S.; Carson, J. E.; Giebels, B.; Longo, F.; McEnery, J. E.; Paneque, D. et al.
System: The UNT Digital Library
THERMODYNAMICS OF (2+1)-FLAVOR QCD. (open access)

THERMODYNAMICS OF (2+1)-FLAVOR QCD.

We report on the status of our QCD thermodynamics project. It is performed on the QCDOC machine at Brookhaven National Laboratory and the APEnext machine at Bielefeld University. Using a 2 + 1 flavor formulation of QCD at almost realistic quark masses we calculated several thermodynamical quantities. In this proceeding we show the susceptibilities of the chiral condensate and the Polyakov loop, the static quark potential and the spatial string tension.
Date: October 10, 2006
Creator: SCHMIDT, C. & UMEDA, T.
System: The UNT Digital Library