Article describing research on 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg).

Ice clouds play a major role in the radiative energy budget of the Earth-atmosphere system (Liou 1986). Their radiative effect is governed primarily by the equilibrium between their albedo and greenhouse effects. Both macrophysical and microphysical properties of ice clouds regulate this equilibrium. For quantifying the effect of these clouds onto climate and weather systems, they must be properly characterized in atmospheric models. In this paper we use remote-sensing measurements from the SIRTA ground based atmospheric observatory (Site Instrumental de Recherche par Teledetection Atmospherique, http://sirta.lmd.polytechnique.fr). Lidar and radar observations taken over 18 months are used, in order to gain statistical confidence in the model evaluation. Along this period of time, 62 days are selected for study because they contain parts of ice clouds. We use the ''model to observations'' approach by simulating lidar and radar signals from MM5 outputs. Other more classical variables such as shortwave and longwave radiative fluxes are also used. Four microphysical schemes, among which that proposed by Reisner et al. (1998) with original or modified parameterizations of particle terminal fall velocities (Zurovac-Jevtic and Zhang 2003, Heymsfield and Donner 1990), and the simplified Dudhia (1989) scheme are evaluated in this study.

It is well established that gene expression levels in many organisms change during the aging process, and the advent of DNA microarrays has allowed genome-wide patterns of transcriptional changes associated with aging to be studied in both model organisms and various human tissues. Understanding the effects of aging on gene expression in the human brain is of particular interest, because of its relation to both normal and pathological neurodegeneration. Here we show that human cerebral cortex, human cerebellum, and chimpanzee cortex each undergo different patterns of age-related gene expression alterations. In humans, many more genes undergo consistent expression changes in the cortex than in the cerebellum; in chimpanzees, many genes change expression with age in cortex, but the pattern of changes in expression bears almost no resemblance to that of human cortex. These results demonstrate the diversity of aging patterns present within the human brain, as well as how rapidly genome-wide patterns of aging can evolve between species; they may also have implications for the oxidative free radical theory of aging, and help to improve our understanding of human neurodegenerative diseases.

We have utilized atomic force microscopy (AFM) to visualize the native surface topology and ultrastructure of Bacillus thuringiensis and Bacillus cereus spores in water and in air. AFM was able to resolve the nanostructure of the exosporium and three distinctive classes of appendages. Removal of the exosporium exposed either a hexagonal honeycomb layer (B. thuringiensis) or a rodlet outer spore coat layer (B. cereus). Removal of the rodlet structure from B. cereus spores revealed an underlying honeycomb layer similar to that observed with B. thuringiensis spores. The periodicity of the rodlet structure on the outer spore coat of B. cereus was {approx}8 nm, and the length of the rodlets was limited to the cross-patched domain structure of this layer to {approx}200 nm. The lattice constant of the honeycomb structures was {approx}9 nm for both B. cereus and B. thuringiensis spores. Both honeycomb structures were composed of multiple, disoriented domains with distinct boundaries. Our results demonstrate that variations in storage and preparation procedures result in architectural changes in individual spore surfaces, which establish AFM as a useful tool for evaluation of preparation and processing ''fingerprints'' of bacterial spores. These results establish that high-resolution AFM has the capacity to reveal species-specific assembly …

The molecular structures of drug target proteins and receptors form the basis for 'rational' or structure guided drug design. The majority of target structures are experimentally determined by protein X-ray crystallography, which as evolved into a highly automated, high throughput drug discovery and screening tool. Process automation has accelerated tasks from parallel protein expression, fully automated crystallization, and rapid data collection to highly efficient structure determination methods. A thoroughly designed automation technology platform supported by a powerful informatics infrastructure forms the basis for optimal workflow implementation and the data mining and analysis tools to generate new leads from experimental protein drug target structures.

Large-insert genomic libraries facilitate cloning of large genomic regions, allow the construction of clone-based physical maps and provide useful resources for sequencing entire genomes. Drosophilabuzzatii is a representative species of the repleta group in the Drosophila subgenus, which is being widely used as a model in studies of genome evolution, ecological adaptation and speciation. We constructed a Bacterial Artificial Chromosome (BAC) genomic library of D. buzzatii using the shuttle vector pTARBAC2.1. The library comprises 18,353 clones with an average insert size of 152 kb and a {approx}18X expected representation of the D. buzzatii euchromatic genome. We screened the entire library with six euchromatic gene probes and estimated the actual genome representation to be {approx}23X. In addition, we fingerprinted by restriction digestion and agarose gel electrophoresis a sample of 9,555 clones, and assembled them using Finger Printed Contigs (FPC) software and manual editing into 345 contigs (mean of 26 clones per contig) and 670singletons. Finally, we anchored 181 large contigs (containing 7,788clones) to the D. buzzatii salivary gland polytene chromosomes by in situ hybridization of 427 representative clones. The BAC library and a database with all the information regarding the high coverage BAC-based physical map described in this paper are available …

Studies of beam halo became unavoidable feature of high-intensity machines where uncontrolled beam loss should be kept to extremely small level. For a well controlled stable beam such a loss is typically associated with the low density halo surrounding beam core. In order to minimize uncontrolled beam loss or improve performance of an accelerator, it is very important to understand what are the sources of halo formation in a specific machine of interest. The dominant mechanisms are, in fact, different in linear accelerators, circular machines or Energy Recovering Linacs (ERL). In this paper, we summarize basic mechanisms of halo formation in high-intensity beams and discuss their application to various types of accelerators of interest, such as linacs, rings and ERL.

We have developed a novel method for patterning surface chemistry: Photocatalytic Lithography. This technique relies on inexpensive stamp materials and light; it does not necessitate mass transport or specified substrates, and the wavelength of light should not limit feature resolution. We have demonstrated the utility of this technique through the patterning of proteins, single cells and bacteria.

The main performance limitation for RHIC is emittance growth caused by IntraBeam Scattering during the store. We have developed a longitudinal bunched-beam stochastic cooling system in the 5-8 GHz band which will be used to counteract IBS longitudinal emittance growth and prevent de-bunching during the store. Solutions to the technical problems of achieving sufficient kicker voltage and overcoming the electronic saturation effects caused by coherent components within the Schottky spectrum are described. Results from tests with copper ions in RHIC during the FY05 physics run, including the observation of signal suppression, are presented.

Unlike other fuels, hydrogen (H{sub 2}) can be generated and consumed without generating carbon dioxide (CO{sub 2}). This creates both significant engineering challenges and unsurpassed ecological advantages for H{sub 2} as a fuel, while enabling an inexhaustible (closed) global fuel cycle based on the cleanest, most abundant, natural, and elementary substances: H{sub 2}, O{sub 2}, and H{sub 2}O. If generated using light, heat, and/or electrical energy from solar, wind, fission, or (future) fusion power sources, H{sub 2} becomes a versatile, storable, and universal carbonless energy carrier, a necessary element for future global energy system(s) aimed at being free of air and water pollution, CO{sub 2}, and other greenhouse gases. The case for hydrogen rests fundamentally on the need to eliminate pollution and stabilize Earth's atmosphere and climate system.

The caustic precipitation of plutonium (Pu) and uranium (U) from Pu and U-containing waste solutions has been investigated to determine whether gadolinium (Gd) could be used as a neutron poison for precipitation with greater than a fissile mass containing both Pu and enriched U. Precipitation experiments were performed using both process solution samples and simulant solutions with a range of 2.6-5.16 g/L U and 0-4.3:1 U:Pu. Analyses were performed on solutions at intermediate pH to determine the partitioning of elements for accident scenarios. When both Pu and U were present in the solution, precipitation began at pH 4.5 and by pH 7, 99% of Pu and U had precipitated. When complete neutralization was achieved at pH > 14 with 1.2 M excess OH{sup -}, greater than 99% of Pu, U, and Gd had precipitated. At pH > 14, the particles sizes were larger and the distribution was a single mode. The ratio of hydrogen:fissile atoms in the precipitate was determined after both settling and centrifuging and indicates that sufficient water was associated with the precipitates to provide the needed neutron moderation for Gd to prevent a criticality in solutions containing up to 4.3:1 U:Pu and up to 5.16 g/L U.

We study the corrections to Higgs physics in a model of a single warped extra dimension with all fields except the Higgs in the bulk, and a gauge symmetry extended to SU(2){sub L} x SU(2){sub R} x U(1){sub B-L}. We find that generically the Higgs coupling to electroweak gauge boson pairs is suppressed, the coupling to gluons is enhanced, and the coupling to photons is often suppressed, but can be enhanced.

This paper presents a combinatorial study on the problem ofconstructing a sparse basis forthe null-space of a sparse, underdetermined, full rank matrix, A. Such a null-space is suitable forsolving solving many saddle point problems. Our approach is to form acolumn space basis of A that has a sparse inverse, by selecting suitablecolumns of A. This basis is then used to form a sparse null-space basisin fundamental form. We investigate three different algorithms forcomputing the column space basis: Two greedy approaches that rely onmatching, and a third employing a divide and conquer strategy implementedwith hypergraph partitioning followed by the greedy approach. We alsodiscuss the complexity of selecting a column basis when it is known thata block diagonal basis exists with a small given block size.

The design of future high energy coolers relies heavily on extending the results of cooling force measurements into new regimes by using simulation codes. In order to carefully benchmark these codes we have accurately measured the longitudinal friction force in CELSIUS by recording the phase shift between the beam and the RF voltage while varying the RF frequency. Moreover, parameter dependencies on the electron current, solenoid magnetic field and magnetic field alignment were carried out.

The crack tip opening displacements and angles (CTOD/CTOA) are calculated with finite element method based on the test data of a set of constraint-dependent J-R curves for A285 carbon steel. The values of the CTOD/CTOA are initially high at initiation, but rapidly decrease to a nearly constant value. When the common practice is adopted by using only the constant part of CTOD/CTOA as the fracture criterion, the crack growth behavior is shown to be severely underestimated. However, with a bilinear form of CTOD/CTOA fracture criterion which approximates the initial non-constant portion, the experimental load vs. crack extension curves can be closely predicted. Furthermore, it is demonstrated that the CTOD/CTOA is crack tip constraint dependent. The values of CTOD/CTOA for specimens with various ratios of crack length to specimen width (a/W) are reflected by the J-R curves and their slopes.

An enhanced concentration of aerosol may increase the number of cloud drops by providing more cloud condensation nuclei (CCN), which in turn results in a higher cloud albedo at a constant cloud liquid water path. This process is often referred to as the aerosol indirect effect (AIE). Many in situ and remote sensing observations support this hypothesis (Ramanathan et al. 2001). However, satellite observed relations between aerosol concentration and cloud drop size are not always in agreement with the AIE. Based on global analysis of cloud effective radius (r{sub e}) and aerosol number concentration (N{sub a}) derived from satellite data, Sekiguchi et al. (2003) found that the correlations between the two variables can be either negative, or positive, or none, depending on the location of the clouds. They discovered that significantly negative r{sub e} - N{sub a} correlation can only be identified along coastal regions of the continents where abundant continental aerosols inflow from land, whereas Feingold et al. (2001) found that the response of r{sub e} to aerosol loading is the greatest in the region where aerosol optical depth ({tau}{sub a}) is the smallest. The reason for the discrepancy is likely due to the variations in cloud macroscopic properties …

High-energy electron cooling for RHIC presents many unique features and challenges. An accurate estimate of the cooling times requires detailed simulation of the electron cooling process. The first step towards such calculations is to have an accurate description of the cooling force. Numerical simulations are being used to explore various features of the friction force which appear due to several effects, including the anisotropy of the electron distribution in velocity space and the effect of a strong solenoidal magnetic field. These aspects are being studied in detail using the VORFAL code, which explicitly resolves close binary collisions. Results are compared with available asymptotic and empirical formulas and also, using the BETACOOL code, with direct numerical integration of less approximate expressions over the specified electron distribution function.

Highly ionized plasmas are being employed as a medium for charge neutralizing heavy ion beams in order to focus to a small spot size. Calculations suggest that plasma at a density of 1-100 times the ion beam density and at a length {approx} 0.1-1 m would be suitable for achieving a high level of charge neutralization. A radio frequency (RF) source was constructed at the Princeton Plasma Physics Laboratory (PPPL) in support of the joint Neutralized Transport Experiment (NTX) at the Lawrence Berkeley National Laboratory (LBNL) to study ion beam neutralization. Pulsing the source enabled operation at pressures {approx} 10{sup -6} Torr with plasma densities of 10{sup 11} cm{sup -3}. Near 100% ionization was achieved. The plasma was 10 cm in length, but future experiments require a source 1 m long. The RF source does not easily scale to the length. Consequently, large-volume plasma sources based upon ferroelectric ceramics are being considered. These sources have the advantage of being able to increase the length of the plasma and operate at low neutral pressures. The source will utilize the ferroelectric ceramic BaTiO{sub 3} to form metal plasma. A 1 m long section of the drift tube inner surface of NTX will …

Mammary myoepithelial cells have been the foster child of breast cancer biology and have been largely ignored since they were considered to be less important for tumorigenesis than luminal epithelial cells from which most of breast carcinomas are thought to arise. In recent years as our knowledge in stem cell biology and the cellular microenvironment has been increasing myoepithelial cells are slowly starting to gain more attention. Emerging data raise the hypothesis if myoepithelial cells play a key role in breast tumor progression by regulating the in situ to invasive carcinoma transition and if myoepithelial cells are part of the mammary stem cell niche. Paracrine interactions between myoepithelial and luminal epithelial cells are known to be important for cell cycle arrest, establishing epithelial cell polarity, and inhibiting migration and invasion. Based on these functions normal mammary myoepithelial cells have been called ''natural tumor suppressors''. However, during tumor progression myoepithelial cells seem to loose these properties and eventually they themselves diminish as tumors become invasive. Better understanding of myoepithelial cell function and their role in tumor progression may lead to their exploitation for cancer therapeutic and preventative measures.

A drift compression and final focus lattice for heavy ion beams should focus the entire beam pulse onto the same focal spot on the target. The authors show that this requirement implies that the drift compression design needs to satisfy a self-similar symmetry condition. For un-neutralized beams, the Lie symmetry group analysis is applied to the warm-fluid model to systematically derive the self-similar drift compression solutions. For neutralized beams, the 1D Vlasov equation is solved explicitly and families of self-similar drift compression solutions are constructed. To compensate for the deviation from the self-similar symmetry condition due to the transverse emittance, four time-dependent magnets are introduced in the upstream of the drift compression such that the entire beam pulse can be focused onto the same focal spot.

In most of the proposals for HIF reactors, beams propagate ballistically through the containment chamber. To get the required final radius ({approx} 3 mm), the charge of the beam must be neutralized to some extent. Several neutralization schemes are possible, as co-injection of negative-ions beams, inclusion of external sources of electrons, or it can be provided by electrons coming from ionization of the background gas. In this work, we study the role of the electron dynamic on the neutralization and final radius of the beam. This is done by performing fully-electromagnetic PIC simulations of the beam ballistic transport using the BPIC code[1]. In agreement with previous works we found that the evolution of an isolated beam is well described as a bidimensional adiabatic compression, and the beam neutralization degree and final radius can be estimated from the initial electron transversal temperature. When a background gas is present the evolution differs significantly from an adiabatic compression. Even for low gas densities, the continuous electrons flow coming from gas ionization limits efficiently the compressional heating, thus reducing the final radius. Aspects of beam neutralization by background gas ionization are discussed.

Surface reflectance is an important factor in determining the strength of aerosol radiative forcing. Previous studies of radiative forcing assumed that the reflected surface radiance is isotropic and does not depend on incident illumination angle. This Lambertian reflection model is not a very good descriptor of reflectance from real land and ocean surfaces. In this study we present computational results for the seasonal average of short and long wave aerosol radiative forcing at the top of the atmosphere and at the surface. The effect of the Lambertian assumption is found through comparison with calculations using a more detailed bi-direction reflectance distribution function (BRDF).

We present first-principles total-energy density-functional theory electronic structure calculations for the neutral and charge states of an oxygen vacancy in KH{sub 2}PO{sub 4} (KDP). Even though the overall DOS profiles for the defective KDP are quite similar to those of the perfect KDP, the oxygen vacancy in the neutral and +1 charge states induces defect states in the band gap. For the neutral oxygen vacancy, the gap states are occupied by two electrons. The difference between the integral of the total density of states (DOS) and the sum of the DOS projected on the atoms of 0.98 |e|, indicates that one of the two electrons resulting from the removal of the oxygen atom is trapped in the vacancy, while the other tends to delocalize in the neighboring atoms. For the +1 charge oxygen vacancy, the addition of the hole reduces the occupation of the filled gap-states in the neutral case from two to one electron and produces new empty states in the gap. The new empty gap states are very close to the highest occupied states, leading to a dramatic decrease of the band gap. The difference between the integral of the total DOS and the sum of the DOS …

We present comparisons of the CRANGE code to other well-known codes, SRIM and ASTAR, and to experimental results for ion-material interactions such as energy loss per unit length, ion range, and ion induced electron yield. These ion-material interaction simulations are relevant to the electron cloud effect in heavy ions accelerators for fusion energy and high energy density physics. Presently, the CRANGE algorithms are most accurate at energies above 1.0 MeV/amu. For calculations of energy loss per unit length of a potassium ion in stainless steel, results of CRANGE and SRIM agree to within ten percent above 1.0 MeV/amu. For calculations of the range of a helium ion in aluminum, results of CRANGE and ASTAR agree to within two percent above 1.0 MeV/amu. Finally, for calculations of ion induced electron yield for hydrogen ions striking gold, results of CRANGE agree to within ten percent with measured electron yields above 1.0 MeV/amu.