An attempt has been made to derive a version of the virial integral that would describe average properties of the interstellar medium (ISM). It is suggested to eliminate the (large) contribution of stellar matter by introducing 'exclusion zones' surrounding stars. Such an approach leads to the appearance of several types of additional surface integrals in the general expression. Their contribution depends on the rate of energy and matter exchange between the stars and ISM. If this exchange is weak, one can obtain a desired virial integral for ISM. However, the presence of intermittent large-scale energetic events significantly constrains the applicability of the virial theorem. If valid, the derived virial integral is dominated by cold molecular/atomic clouds, with only minor contribution of the global magnetic field and low-density warm part.

We construct the microstates of near-extremal black holes in AdS_5 x S5 as gases of defects distributed in heavy BPS operators in the dual SU(N) Yang-Mills theory. These defects describe open strings on spherical D3-branes in the S5, and we show that they dominate the entropy by directly enumerating them and comparing the results with a partition sum calculation. We display new decoupling limits in which the field theory of the lightest open strings on the D-branes becomes dual to a near-horizon region of the black hole geometry. In the single-charge black hole we find evidence for an infrared duality between SU(N) Yang-Mills theories that exchanges the rank of the gauge group with an R-charge. In the two-charge case (where pairs of branes intersect on a line), the decoupled geometry includes an AdS_3 factor with a two-dimensional CFT dual. The degeneracy in this CFT accounts for the black hole entropy. In the three-charge case (where triples of branes intersect at a point), the decoupled geometry contains an AdS_2 factor. Below a certain critical mass, the two-charge system displays solutions with naked timelike singularities even though they do not violate a BPS bound. We suggest a string theoretic resolution of these …

Bacteria of the genus Deinococcus are extremely resistant to ionizing radiation (IR), ultraviolet light (UV) and desiccation. The mesophile Deinococcus radiodurans was the first member of this group whose genome was completely sequenced. Analysis of the genome sequence of D. radiodurans, however, failed to identify unique DNA repair systems. To further delineate the genes underlying the resistance phenotypes, we report the whole-genome sequence of a second Deinococcus species, the thermophile Deinococcus geothermalis, which at itsoptimal growth temperature is as resistant to IR, UV and desiccation as D. radiodurans, and a comparative analysis of the two Deinococcus genomes. Many D. radiodurans genes previously implicated in resistance, but for which no sensitive phenotype was observed upon disruption, are absent in D. geothermalis. In contrast, most D. radiodurans genes whose mutants displayed a radiation-sensitive phenotype in D. radiodurans are conserved in D. geothermalis. Supporting the existence of a Deinococcus radiation response regulon, a common palindromic DNA motif was identified in a conserved set of genes associated with resistance, and a dedicated transcriptional regulator was predicted. We present the case that these two species evolved essentially the same diverse set of gene families, and that the extreme stress-resistance phenotypes of the Deinococcus lineage emerged …

Light-driven oxidation of water to dioxygen in plants, algae and cyanobacteria iscatalyzed within photosystem II (PS II) by a Mn4Ca cluster. Although the cluster has been studied by many different methods, the structure and the mechanism have remained elusive. X-ray absorption and emission spectroscopy and EXAFS studies have been particularly useful in probing the electronic and geometric structure, and the mechanism of the water oxidation reaction. Recent progress, reviewed here, includes polarized X-ray absorption spectroscopy measurements of PS II single crystals. Analysis of those results has constrained the Mn4Ca cluster geometry to a setof three similar high-resolution structures. The structure of the cluster from the present study is unlike either the 3.0 or 3.5 Angstrom-resolution X-ray structures or other previously proposed models. The differences between the models derived from X-rayspectroscopy and crystallography are predominantly because of damage to the Mn4Ca cluster by X-rays under the conditions used for structure determination by X-ray crystallography. X-ray spectroscopy studies are also used for studying the changes in the structure of the Mn4Ca catalytic center as it cycles through the five intermediate states known as the Si-states (i=0-4). The electronic structure of the Mn4Ca cluster has been studied more recently using resonant inelastic X-ray …

We report on design studies for a seeded FEL light source that is responsive to the scientific needs of the future. The FEL process increases radiation flux by several orders of magnitude above existing incoherent sources, and offers the additional enhancements attainable by optical manipulations of the electron beam: control of the temporal duration and bandwidth of the coherent output, reduced gain length in the FEL, utilization of harmonics to attain shorter wavelengths, and precise synchronization of the x-ray pulse with seed laser systems. We describe an FEL facility concept based on a high repetition rate RF photocathode gun, that would allow simultaneous operation of multiple independent FEL's, each producing high average brightness, tunable over the VUV-soft x-ray range, and each with individual performance characteristics determined by the configuration of the FEL. SASE, enhanced-SASE (ESASE), seeded, harmonic generation, and other configurations making use of optical manipulations of the electron beam may be employed, providing a wide range of photon beam properties to meet varied user demands.

Currently, most of our thinking about the defects responsible for initiating laser damage considers them as featureless absorbers. However, an increasing body of evidence, particularly involving multi-wavelength irradiation, suggests electronic structure of damage initiators is important in determining both initiation and conditioning behaviors in KDP. The effective absorption coefficient of energy under multi-wavelength irradiation cannot be accounted for by a structureless absorber, but is consistent with an initiator with a multi-level structure. We outline the evidence and assess the ability of such a simple multi-level model to explain these and other experimentally observed behaviors.

We study the evolution and saturation of the gluondistribution function in the quark-gluon plasma as probed by apropagating parton and its effect on the computation of jet quenching ortransport parameter $\hat q $. For thermal partons, the saturation scale$Q2_s$ is found to be proportional to the Debye screening mass $\mu_D2$.For hard probes, evolution at small $x=Q2_s/6ET$ leads to jet energydependence of hat q. We study this dependence for both a conformal gaugetheory in weak and strong coupling limit and for (pure gluon) QCD. Theenergy dependence can be used to extract the shear viscosity $\eta$ ofthe medium since $\eta$ can be related to the transport parameter forthermal partons in a transport description. We also derive upper boundson the transport parameter for both energetic and thermal partons. Thelater leads to a lower bound on shear viscosity-to-entropy density ratiowhich is consistent with the conjectured lower bound $\eta/s\geq 1/4\pi$.Implications on the study of jet quenching at RHIC and LHC and the bulkproperties of the dense matter are discussed.

It is well known that large Nb3Sn Cable-in-Conduit Conductors (CICC) do not always completely utilize current carrying capacity of the strands they are made of. The modern state of theory is not accurate enough to eliminate CICC full scale testing. Measuring properties of large CICC is not a simple task due to variety of parameters that need to be controlled, like temperature, exposure of all the strands to the peak magnetic field, mass flow and particular nonuniform current distribution. The paper presents some measurement issues of CICC testing in a short sample test facility, particularly, conditions for uniform current distribution and effect of twist pitches on the critical current.

In this talk, I summarize a recent study showing that the large-x parton distributions contain important information on the quark orbital angular momentum of nucleon. This contribution could explain the conflict between the experimental data and the theory predictions for the polarized quark distributions. Future experiments at JLab shall provide further test for our predictions.

InfiniBand (IB) is a popular network technology for modern high-performance computing systems. MPI implementations traditionally support IB using a reliable, connection-oriented (RC) transport. However, per-process resource usage that grows linearly with the number of processes, makes this approach prohibitive for large-scale systems. IB provides an alternative in the form of a connectionless unreliable datagram transport (UD), which allows for near-constant resource usage and initialization overhead as the process count increases. This paper describes a UD-based implementation for IB in Open MPI as a scalable alternative to existing RC-based schemes. We use the software reliability capabilities of Open MPI to provide the guaranteed delivery semantics required by MPI. Results show that UD not only requires fewer resources at scale, but also allows for shorter MPI startup times. A connectionless model also improves performance for applications that tend to send small messages to many different processes.

The zeroth theorem of the history of science, enunciated byE. P. Fischer, states that a discovery (rule,regularity, insight) namedafter someone (often) did not originate with that person. I present fiveexamples from physics: the Lorentz condition partial muAmu = 0 definingthe Lorentz gauge of the electromagnetic potentials; the Dirac deltafunction, delta(x); the Schumann resonances of the earth-ionospherecavity; the Weizsacker-Williams method of virtual quanta; the BMTequation of spin dynamics. I give illustrated thumbnail sketches of boththe true and reputed discoverers and quote from their "discovery"publications.

We consider the properties of {Omega} graphs ({Omega} vs f(z)) obtained from Gouy interferometry on multicomponent systems with constant diffusion coefficients. We show that they must have (a) either a maximum or else a minimum between f(z)=0 and f(z)=1 and (b) an inflection point between the f(z) value at the extremum and f(z)=1. Consequently, an {Omega} graph cannot have both positive and negative {Omega} values.

Mineral dissolution rates in the field have been reported to be orders of magnitude slower than those measured in the laboratory, an unresolved discrepancy that severely limits our ability to develop scientifically defensible predictive or even interpretive models for many geochemical processes in the earth and environmental sciences. One suggestion links this discrepancy to the role of physical and chemical heterogeneities typically found in subsurface soils and aquifers in producing scale-dependent rates where concentration gradients develop. In this paper, we examine the possibility that scale-dependent mineral dissolution rates can develop even at the single pore and fracture scale, the smallest and most fundamental building block of porous media. To do so, we develop two models to analyze mineral dissolution kinetics at the single pore scale: (1) a Poiseuille Flow model that applies laboratory-measured dissolution kinetics at the pore or fracture wall and couples this to a rigorous treatment of both advective and diffusive transport, and (2) a Well-Mixed Reactor model that assumes complete mixing within the pore, while maintaining the same reactive surface area, average flow rate, and geometry as the Poiseuille Flow model. For a fracture, a 1D Plug Flow Reactor model is considered in addition to quantify the …

Horizontal gene transfer, in which genetic material is transferred from the genome of one organism to another, has been investigated in microbial species mainly through computational sequence analyses. To address the lack of experimental data, we studied the attempted movement of 246,045 genes from 79 prokaryotic genomes into E. coli and identified genes that consistently fail to transfer. We studied the mechanisms underlying transfer inhibition by placing coding regions from different species under the control of inducible promoters. Their toxicity to the host inhibited transfer regardless of the species of origin and our data suggest that increased gene dosage and associated increased expression is a predominant cause for transfer failure. While these experimental studies examined transfer solely into E. coli, a computational analysis of gene transfer rates across available bacterial and archaeal genomes indicates that the barriers observed in our study are general across the tree of life.

Design and testing of the United States Navy’s next generation air particle detector (NGAPD) is presently underway. The NGAPD is intended for use in nuclear applications for the United States Navy and is being designed to detect airborne Co-60 with a reduction in false alarms and improved ease of use. Features being developed include gamma compensation, low maintenance, commercial off-the-shelf electronics, and spectrum simulation for quality assurance and functional testing applications. By supplying a spectrum simulator, the radon stripping algorithm can be running when a simulated anthropogenic source spectrum (e.g., from Co-60 or transuranics) is superimposed on the radon progeny spectrum. This will allow alarm levels to be tested when the air flow is running and the radon stripping algorithm is providing the instrument response output. Modern units evaluate source spectra with the air flow off and the radon spectrum absent thereby not testing the true system performance which comes out of the radon stripping algorithm. Testing results of the preliminary prototype show promise along with computer simulations of source spectra. Primary testing results taken to date include gamma compensation, thermal insults, vibration and spectrum simulation.

Epithelial-mesenchymal transition (EMT) is a cellular transdifferentiation program that facilitates organ morphogenesis and tissue remodeling in physiological processes such as embryonic development and wound healing. However, a similar phenotypic conversion is also detected in fibrotic diseases and neoplasia, in which it is associated with disease progression. EMT in cancer epithelial cells often appears to be an incomplete and bi-directional process. Here we discuss the phenomenon of EMT as it pertains to tumor development, focusing on exceptions to the commonly held rule that EMT promotes invasion and metastasis. We also highlight the role of the Ras-controlled signaling mediators, ERK1, ERK2 and PI3-kinase, as microenvironmental responsive regulators of EMT.

We compared structure alignments generated by several protein structure comparison programs to determine whether existing methods would satisfactorily align residues at a highly conserved position within an immunogenic loop in ribosome inactivating proteins (RIPs). Using default settings, structure alignments generated by several programs (CE, DaliLite, FATCAT, LGA, MAMMOTH, MATRAS, SHEBA, SSM) failed to align the respective conserved residues, although LGA reported correct residue-residue (R-R) correspondences when the beta-carbon (Cb) position was used as the point of reference in the alignment calculations. Further tests using variable points of reference indicated that points distal from the beta carbon along a vector connecting the alpha and beta carbons yielded rigid structural alignments in which residues known to be highly conserved in RIPs were reported as corresponding residues in structural comparisons between ricin A chain, abrin-A, and other RIPs. Results suggest that approaches to structure alignment employing alternate point representations corresponding to side chain position may yield structure alignments that are more consistent with observed conservation of functional surface residues than do standard alignment programs, which apply uniform criteria for alignment (i.e., alpha carbon (Ca) as point of reference) along the entirety of the peptide chain. We present the results of tests that suggest …

Computer-aided materials research is now an integral part of science and technology. It becomes particularly valuable when comprehensive experimental investigations and materials testing are too costly, hazardous, or of excessive duration; then, theoretical and computational studies can supplement and enhance the information gained from limited experimental data. Such is the case for improving our fundamental understanding of the properties of aging plutonium in the nuclear weapons stockpile. The question of the effects of plutonium aging on the safety, security, and reliability of the nuclear weapons stockpile emerged after the United States closed its plutonium manufacturing facility in 1989 and decided to suspend any further underground testing of nuclear weapons in 1992. To address this, the Department of Energy's National Nuclear Security Administration (NNSA) initiated a research program to investigate plutonium aging, i.e., the changes with time of properties of Pu-Ga alloys employed in the nuclear weapons and to develop models describing these changes sufficiently reliable to forecast them for several decades. The November 26, 2006 press release by the NNSA summarizes the conclusions of the investigation, '...there appear to be no serious or sudden changes occurring, or expected to occur, in plutonium that would affect performance of pits beyond the …

The initial stages of wet thermal oxidation of Si(100)-(2x1) have been investigated by in-situ ambient pressure x-ray photoemission spectroscopy (APXPS), including chemical-state resolution via Si 2p core-level spectra. Real-time growth rates of silicon dioxide have been monitored at 100 mTorr of water vapor. This pressure is considerably higher than in any prior study using XPS. Substrate temperatures have been varied between 250 and 500 C. Above a temperature of {approx} 400 C, two distinct regimes, a rapid and a quasi-saturated one, are identified and growth rates show a strong temperature dependence which cannot be explained by the conventional Deal-Grove model.

Over the last decade the electron density of plasmas has been measured using X-ray laser interferometers in the 14 to 47 nm wavelength regime. With the same formula used in decades of experiments with optical interferometers, the data analysis assumes the index of refraction is due only to the free electrons, which makes the index less than one. Over the last several years, interferometer experiments in C, Al, Ag, and Sn plasmas have observed plasmas with index of refraction greater than one at 14 or 47 nm and demonstrated unequivocally that the usual formula for calculating the index of refraction is not always valid as the contribution from bound electrons can dominate the free electrons in certain cases. In this paper we search for other materials with strong anomalous dispersion that could be used in X-ray laser interferometer experiments to help understand this phenomena. An average atom code is used to calculate the plasma properties. This paper discusses the calculations of anomalous dispersion in Ne and Na plasmas near 47 nm and Xe plasmas near 14 nm. With the advent of the FLASH X-ray free electron laser in Germany and the LCLS X-FEL coming online at Stanford in 2 years …

Available methods for developing and screening small drug-like molecules able to knockout toxins or pathogenic microorganisms have some limitations. In order to be useful, these new methods must provide high-throughput analysis and identify specific binders in a short period of time. To meet this need, we are developing an approach that uses living cells to generate libraries of small biomolecules, which are then screened inside the cell for activity. Our group is using this new, combined approach to find highly specific ligands capable of disabling anthrax Lethal Factor (LF) as proof of principle. Key to our approach is the development of a method for the biosynthesis of libraries of cyclic peptides, and an efficient screening process that can be carried out inside the cell.

I review recent progress in finite temperature lattice calculations, including the determination of the transition temperature, equation of state, screening of static quarks and meson spectral functions.

Despite the rapid accumulation of systems-level biological data, understanding the dynamic nature of cellular activity remains a difficult task. The reason is that most biological data are static, or only correspond to snapshots of cellular activity. In this study, we explicitly attempt to detangle the temporal complexity of biological networks by using compilations of time-series gene expression profiling data.We define a dynamic network module to be a set of proteins satisfying two conditions: (1) they form a connected component in the protein-protein interaction (PPI) network; and (2) their expression profiles form certain structures in the temporal domain. We develop the first efficient mining algorithm to discover dynamic modules in a temporal network, as well as frequently occurring dynamic modules across many temporal networks. Using yeast as a model system, we demonstrate that the majority of the identified dynamic modules are functionally homogeneous. Additionally, many of them provide insight into the sequential ordering of molecular events in cellular systems. We further demonstrate that identifying frequent dynamic network modules can significantly increase the signal to noise separation, despite the fact that most dynamic network modules are highly condition-specific. Finally, we note that the applicability of our algorithm is not limited to the …

An explosive growth of online news has taken place. Users are inundated with thousands of news articles, only some of which are interesting. A system to filter out uninteresting articles would aid users that need to read and analyze many articles daily, such as financial analysts and government officials. The most obvious approach for reducing the amount of information overload is to learn keywords of interest for a user (Carreira et al., 2004). Although filtering articles based on keywords removes many irrelevant articles, there are still many uninteresting articles that are highly relevant to keyword searches. A relevant article may not be interesting for various reasons, such as the article's age or if it discusses an event that the user has already read about in other articles. Although it has been shown that collaborative filtering can aid in personalized recommendation systems (Wang et al., 2006), a large number of users is needed. In a limited user environment, such as a small group of analysts monitoring news events, collaborative filtering would be ineffective. The definition of what makes an article interesting--or its 'interestingness'--varies from user to user and is continually evolving, calling for adaptable user personalization. Furthermore, due to the nature …