The ENDF/B data library has recently been updated and is now freely available through the National Nuclear Data Center (NNDC), Brookhaven National Laboratory. This most recent library is identified as ENDF/B-VI, Release 7. Release 7 completely supersedes all preceding releases. As distributed the ENDF/B-VI, Release 7 data includes cross sections represented in the form of a combination of resonance parameters and/or tabulated energy dependent cross sections, nominally at 0 Kelvin temperature. For use in applications this library has been processed into the form of temperature dependent cross sections at eight temperatures between 0 and 2100 Kelvin, in steps of 300 Kelvin. At each temperature the cross sections are tabulated and linearly interpolable in energy. All results are in the computer independent ENDF/B-VI character format [1], which allows the data to be easily transported between computers. In its processed form this library is approximately 1.6 gigabyte in size and is distributed on three CDs.

C-terminal peptide thioesters are key intermediates for the synthesis/semisynthesis of proteins and for the production of cyclic peptides by native chemical ligation. They can be synthetically prepared by solid-phase peptide synthesis (SPPS) methods or biosynthetically by protein splicing techniques. Until recently, the chemical synthesis of C-terminal a-thioester peptides by SPPS was largely restricted to the Boc/Benzyl methodology because of the poor stability of the thioester bond to the basic conditions employed for the deprotection of the N{sup {alpha}}-Fmoc group. In the present work, we describe a new method for the SPPS of C-terminal thioesters by Fmoc/t-Bu chemistry. This method is based on the use of an aryl hydrazide linker, which is totally stable to the Fmoc-SPPS conditions. Once the peptide synthesis has been completed, activation of the linker can be achieved by mild oxidation. This step transforms the hydrazide group into a highly reactive diazene intermediate which can react with different H-AA-SEt to yield the corresponding {alpha}-thioester peptide in good yields. This method has been successfully used for the generation of different thioester peptides, circular peptides and a fully functional SH3 protein domain.

Alloy 22 (N06022) is highly resistant to crevice corrosion in pure chloride (Cl{sup -}) solutions. Little research has been conducted to explore the resistance of this alloy to other halides such as fluoride (F{sup -}) and bromide (Br{sup -}). Even less information is available exploring the behavior of localized corrosion for Alloy 22 in mixtures of the halide ions. Standard electrochemical tests such as polarization resistance and cyclic potentiodynamic polarization (CPP), were conducted to explore the resistance to corrosion of Alloy 22 in deaerated aqueous solutions of 1 M NaCl, 1 M NaF and 0.5 M NaCl + 0.5 M NaF solutions at 60 C and 90 C. Results show that the general corrosion rate was the lowest in the mixed halide solution and the highest in the pure chloride solution. Alloy 22 was not susceptible to localized corrosion in the pure fluoride solution. In 1 M NaCl solution, Alloy 22 was susceptible to crevice corrosion at 90 C. In the mixed halide solution Alloy 22 was susceptible to crevice corrosion both at 60 C and 90 C.

Photonic integrated circuits require the ability to integrate both lasers and waveguides with low absorption and coupling loss. This technology is being developed at LLNL for digital logic gates for optical key generation circuits to facilitate secure communications. Here, we demonstrate an approach of integrating InGaAs DQW edge emitting lasers (EEL) with electron beam evaporated dielectric waveguides. The EELs are defined by electron cyclotron resonance etching (ECR). This approach results in highly anisotropic etched mirrors with smooth etched features (sidewall rms roughness = 28 {angstrom}, surface rms roughness = 10 {angstrom}). The mirror is etched to form both the laser cavity and define the waveguide mesa, which accommodates a dielectric stack, where the core is aligned with the active region of the laser to achieve maximum vertical mode overlapping. The waveguides are based on SiO{sub 2}/Ta{sub 2}O{sub 5}/SiO{sub 2} which yields a high index contrast of 0.6, resulting in low loss guides ({approx}2-3dB/cm). The design of the interface has taken into account the waveguide transmission loss, air gap spacing and tilt between the laser and waveguide. The critical feature for this deposition technique is its required high directionality or minimal sidewall deposition and corner effects. In the butt coupled EEL/waveguide …

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A group of heterocyclic amines that are mutagens and rodent carcinogens form when meat is cooked to medium and well-done states. The precursors of these compounds are natural meat components: creatinine, amino acids and sugars. Defined model systems of dry-heated precursors mimic the amounts and proportions of heterocyclic amines found in meat. Results from model systems and cooking experiments suggest ways to reduce their formation and, thus, to reduce human intake. Human cancer epidemiology studies related to consumption of well-done meat products are listed and compared.

The present work describes our ongoing efforts towards the creation of micro and nanoscaled ordered arrays of protein covalently attached to site-specific chemical linkers patterned by different microlithographic techniques. We present a new and efficient solid-phase approach for the synthesis of chemically modified long alkyl-thiols. These compounds can be used to introduce chemoselective reacting groups onto silicon-based surfaces. We show that these modified thiols can be used for creating nano- and micrometric chemical patterns by using different lithographic techniques. We show that these patterns can react chemoselectively with proteins which have been recombinantly modified to contain complementary chemical groups at specific positions thus resulting in the oriented attachment of the protein to the surface.

This report documents the C version of the MCAPM (Monte Carlo All Particle Method) generator and collision physics library of subroutines. The Monte Carlo data generator (gen2000) reads cross sections and distributions that describe in-flight reactions from a binary library and creates an internal data library. The collision routines (bang2000) use this internal library to perform the physics of interaction of particles with the background material. Particles modeled with MCAPM-C are neutrons, charged particles (p, d, t, {sup 3}He, and {alpha}), and {gamma}'s. MCAPM-C is written in (nearly) standard C, and versions exist for Sun Solaris, Compaq Unix, IBM AIX, SGI Irix, and Linux. The library and its data files are installed on LC's Compass, TC, Forest, Blue, and Sky machines. This report describes the contents and format of the library, physics assumptions made, and the interface to the library's subroutines.

As the world faces growing economic and environmental challenges, the energy mix that fuels the global economy is undergoing rapid change. Yet how this change will evolve in the future is uncertain. What will be the sources of primary energy in twenty years? In fifty years? In different regions of the globe? How will this energy be utilized? Fossil energy currently supplies about ninety percent of the world's primary energy. In Japan this number is closer to eighty percent. It is clear that fossil energy will be a major supplier of global energy for some time to come, but what is not clear is the types of fossil energy and how it will be utilized. The degree to which the abundant supplies of fossil energy, especially coal, will continue to play a major role will depend on whether technology will provide safe, clean and affordable fuel for electricity and transportation. Technology will not only assist in finding more fossil energy in varying regions of the globe but, most importantly, will play a strong role in efficient utilization and in determining the cost of delivering that energy. Several important questions will have to be answered: (1) Will cost effective technologies be …

This paper presents a methodology for modeling residential appliance uptake as a function of root macroeconomic drivers. The analysis concentrates on four major energy end uses in the residential sector: refrigerators, washing machines, televisions and air conditioners. The model employs linear regression analysis to parameterize appliance ownership in terms of household income, urbanization and electrification rates according to a standard binary choice (logistic) function. The underlying household appliance ownership data are gathered from a variety of sources including energy consumption and more general standard of living surveys. These data span a wide range of countries, including many developing countries for which appliance ownership is currently low, but likely to grow significantly over the next decades as a result of economic development. The result is a 'global' parameterization of appliance ownership rates as a function of widely available macroeconomic variables for the four appliances studied, which provides a reliable basis for interpolation where data are not available, and forecasting of ownership rates on a global scale. The main value of this method is to form the foundation of bottom-up energy demand forecasts, project energy-related greenhouse gas emissions, and allow for the construction of detailed emissions mitigation scenarios.

Malignant melanoma is the 6th most commonly diagnosed cancer with increasing incidence in the United States. It is estimated that 54,200 cases of malignant melanoma will be newly diagnosed and 7,600 cases of death will occur in the United States in the year 2003 (1). At the present time, more than 1.3% of Americans will develop malignant melanoma during their lifetime (2). The average survival for patients with metastatic melanoma is about 6-9 months (3). Moreover, metastatic melanoma deposits are resistant to conventional chemotherapy and external beam radiation therapy (3). Systematic chemotherapy is the primary therapeutic approach to treat patients with metastatic melanoma. Dacarbazine is the only single chemotherapy agent approved by FDA for metastatic melanoma treatment (5). However, the response rate to Dacarbazine is only approximately 20% (6). Therefore, there is a great need to develop novel treatment approaches for metastatic melanoma. The global goal of this research program is the rational design, characterization and validation of melanoma imaging and therapeutic radiopharmaceuticals. Significant progress has been made in the design and characterization of metal-cyclized radiolabeled alpha-melanocyte stimulating hormone peptides. Therapy studies with {sup 188}Re-CCMSH demonstrated the therapeutic efficacy of the receptor-targeted treatment in murine and human melanoma bearing mice …

Bromide and resting-cell bacteria tracer tests carried out in a sand and gravel aquifer at the USGS Cape Cod site in 1987 were reinterpreted using a three-dimensional stochastic approach and Lagrangian particle tracking numerical methods. Bacteria transport was strongly coupled to colloid filtration through functional dependence of local-scale colloid transport parameters on hydraulic conductivity and seepage velocity in a stochastic advection-dispersion/attachment-detachment model. Information on geostatistical characterization of the hydraulic conductivity (K) field from a nearby plot was utilized as input that was unavailable when the original analysis was carried out. A finite difference model for groundwater flow and a particle-tracking model of conservative solute transport was calibrated to the bromide-tracer breakthrough data using the aforementioned geostatistical parameters. An optimization routine was utilized to adjust the mean and variance of the lnK field over 100 realizations such that a best fit of a simulated, average bromide breakthrough curve is achieved. Once the optimal bromide fit was accomplished (based on adjusting the lnK statistical parameters in unconditional simulations), a stochastic particle-tracking model for the bacteria was run without adjustments to the local-scale colloid transport parameters. Good predictions of the mean bacteria breakthrough data were achieved using several approaches for modeling components of …

The 'Computational Crystallography Toolbox' (cctbx, http://cctbx.sourceforge.net/) is the open-source component of the Phenix project (http://www.phenix-online.org/). Most recent cctbx developments are geared towards supporting new features of the phenix.refine application. Thus, the open-source mmtbx (macromolecular toolbox) module is currently being most rapidly developed. In this article we give an overview of some of the recent developments. However, the main theme of this article is the presentation of a light-weight example command-line application that was specifically developed for this newsletter: sequence alignment and superposition of two molecules read from files in PDB format. This involves parameter input based on the Phil module presented in Newsletter No. 5, fast reading of the PDB files with the new iotbx.pdb.input class, simple sequence alignment using the new mmtbx.alignment module, and use of the Kearsley (1989) superposition algorithm to find the least-squares solution for superposing C-alpha positions. The major steps are introduced individually, followed by a presentation of the complete application. The example application is deliberately limited in functionality to make it concise enough for this article. The main goal is to show how the open-source components are typically combined into an application. Even though the example is quite specific to macromolecular crystallography, we believe it …

A new, fast, single-pulse x-ray diffraction (XRD) diagnostic for determining phase transitions in shocked polycrystalline materials has been developed. The diagnostic consists of a 37-stage Marx bank high-voltage pulse generator coupled to a needle-and-washer electron beam diode via coaxial cable, producing line and bremsstrahlung x-ray emission in a 35-ns pulse. The characteristic Kα lines from the selected anodes of silver and molybdenum are used to produce the diffraction patterns, with thin foil filters employed to remove the characteristic Kβ line emission. The x-ray beam passes through a pinhole collimator and is incident on the sample with an approximately 3-mm by 6-mm spot and 1° full-width-half-maximum (FWHM) angular divergence in a Bragg-reflecting geometry. For the experiments described in this report, the angle between the incident beam and the sample surface was 8.5°. A Debye-Scherrer diffraction image was produced on a phosphor located 76 mm from the polycrystalline sample surface. The phosphor image was coupled to a charge-coupled device (CCD) camera through a coherent fiberoptic bundle. Dynamic single-pulse XRD experiments were conducted with thin foil samples of tin, shock loaded with a 1-mm vitreous carbon back window. Detasheet high explosive with a 2-mm-thick aluminum buffer was used to shock the sample. Analysis …

Ge nanocrystals are formed in silica by ion beam synthesis and are subsequently exposed by selective HF etching of the silica. Under ambient conditions, the exposed nanocrystals are stable after formation of a protective native oxide shell of no more than a few monolayers. However, under visible laser illumination at room temperature and in the presence of O{sub 2}, the nanocrystals rapidly oxidize. The oxidation rate was monitored by measuring the Raman spectra of the Ge nanocrystals in-situ. The intensity ratio of the anti-Stokes to the Stokes line indicated that no significant laser-induced heating of illuminated nanocrystals occurs. Therefore, the oxidation reaction rate enhancement is due to a photo-chemical process. The oxidation rate varies nearly linearly with the logarithm of the laser intensity, and at constant laser intensity the rate increases with increasing photon energy. These kinetic measurements, along with the power dependencies, are described quantitatively by an electron active oxidation mechanism involving tunneling of optically excited electrons through the forming oxide skin and subsequent transport of oxygen ions to the Ge nanocrystal surface.

The U.S. Department of Energy (DOE) and the U.S. Council for Automotive Research (composed of automakers Ford, General Motors, and DaimlerChrysler) announced in January 2002 a new cooperative research effort. Known as FreedomCAR (derived from ''Freedom'' and ''Cooperative Automotive Research''), it represents DOE's commitment to developing public/private partnerships to fund high-risk, high-payoff research into advanced automotive technologies. Efficient fuel cell technology, which uses hydrogen to power automobiles without air pollution, is a very promising pathway to achieve the ultimate vision. The new partnership replaces and builds upon the Partnership for a New Generation of Vehicles initiative that ran from 1993 through 2001. The Vehicle Systems subprogram within the FreedomCAR and Vehicle Technologies Program provides support and guidance for many cutting-edge automotive and heavy truck technologies now under development. Research is focused on understanding and improving the way the various new components of tomorrow's automobiles and heavy trucks will function as a unified system to improve fuel efficiency. This work also supports the development of advanced automotive accessories and the reduction of parasitic losses (e.g., aerodynamic drag, thermal management, friction and wear, and rolling resistance). In supporting the development of hybrid propulsion systems, the Vehicle Systems subprogram has enabled the development …

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The density-driven crossover of electron-hole pairs frominsulating to conducting states is observed via the internal 1s-2pexciton resonance. Decreasing interparticle distance induces strongshifts and broadening, and ultimately the disappearance of the excitonicresonance.

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A comprehensive transmutation study for steels considered in the selection of structural materials for magnetic and inertial fusion reactors has been performed in the IFMIF neutron irradiation scenario, as well as in the ITER and DEMO ones for comparison purposes. An element-by-element transmutation approach is used in the study, addressing the generation of: (1) H and He and (2) solid transmutants. The IEAF-2001 activation library and the activation code ACAB were applied to the IFMIF transmutation analysis, after proving the applicability of ACAB for transmutation calculations of this kind of intermediate energy systems.

MicrobeWorld is a 90-second feature broadcast daily on more than 90 public radio stations and available from several sources as a podcast, including www.microbeworld.org. The feature has a strong focus on the use and adapatbility of microbes as alternative sources of energy, in bioremediation, their role in climate, and especially the many benefits and scientific advances that have resulting from decoding microbial genomes. These audio features are permanantly archived on an educational outreach site, microbeworld.org, where they are linked to the National Science Education Standards. They are also being used by instructors at all levels to introduce students to the multiple roles and potential of microbes, including a pilot curriculum program for middle-school students in New York.

Hydrothermally self-advancing hybrid coatings were prepared by blending two starting materials, water-borne styrene acrylic latex (SAL) as the matrix and calcium aluminate cement (CAC) as the hydraulic filler, and then their usefulness was evaluated as the room temperature curable anti-corrosion coatings for carbon steel in CO{sub 2}-laden geothermal environments at 250 C. The following two major factors supported the self-improving mechanisms of the coating during its exposure in an autoclave: First was the formation of a high temperature stable polymer structure of Ca-complexed carboxylate groups containing SAL (Ca-CCG-SAL) due to hydrothermal reactions between SAL and CAC; second was the growth with continuing exposure time of crystalline calcite and boehmite phases coexisting with Ca-CCG-SAL. These two factors promoted the conversion of the porous microstructure in the non-autoclaved coating into a densified one after 7 days exposure. The densified microstructure not only considerably reduced the conductivity of corrosive ionic electrolytes through the coatings' layers, but also contributed to the excellent adherence of the coating to underlying steel' s surface that, in turn, retarded the cathodic oxygen reduction reaction at the corrosion site of steel. Such characteristics including the minimum uptake of corrosive electrolytes by the coating and the retardation of the cathodic …