Ion-water clusters, bulk medium effects, and ion hydration

Thermochemistry of gas-phase ion-water clusters together with estimates of the hydration free energy of the clusters and the water ligands are used to calculate the hydration free energy of the ion. Often the hydration calculations use a continuum model of the solvent. The primitive quasichemical approximation to the quasichemical theory provides a transparent framework to anchor such efforts. Here we evaluate the approximations inherent in the primitive quasichemical approach and elucidate the different roles of the bulk medium. We find that the bulk medium can stabilize configurations of the cluster that are usually not observed in the gas phase, while also simultaneously lowering the excess chemical potential of the ion. This effect is more pronounced for soft ions. Since the coordination number that minimizes the excess chemical potential of the ion is identified as the optimal or most probable coordination number, for such soft ions, the optimum cluster size and the hydration thermodynamics obtained without account of the bulk medium on the ion-water clustering reaction can be different from those observed in simulations of the aqueous ion. The ideas presented in this work are expected to be relevant to experimental studies that translate thermochemistry of ion-water clusters to the thermodynamics of the hydrated ion and to evolving theoretical approaches that combine high-level calculations on clusters with coarse-grained models of the medium

Investigation of smooth specimen scc test procedures; variations in environment, specimen size, stressing frame, and stress state

The variables studied in the stress-corrosion cracking performance of high strength aluminum alloys were: (1) corrosiveness of the environment, (2) specimen size and stiffness of the stressing system, (3) interpretation of transgranular cracking, and (4) interaction of the state of stress and specimen orientation in a product with an anisotropic grain structure. It was shown that the probability of failure and time to fracture for a specimen loaded in direct tension are influenced by corrosion pattern, the stressing assembly stiffness, and the notch tensile strength of the alloy. Results demonstrate that the combination of a normal tension stress and a shear stress acting on the plane of maximum susceptibility in a product with a highly directional grain cause the greatest tendency for stress-corrosion cracking

Equivalence-based Security for Querying Encrypted Databases: Theory and Application to Privacy Policy Audits

Motivated by the problem of simultaneously preserving confidentiality and usability of data outsourced to third-party clouds, we present two different database encryption schemes that largely hide data but reveal enough information to support a wide-range of relational queries. We provide a security definition for database encryption that captures confidentiality based on a notion of equivalence of databases from the adversary's perspective. As a specific application, we adapt an existing algorithm for finding violations of privacy policies to run on logs encrypted under our schemes and observe low to moderate overheads.Comment: CCS 2015 paper technical report, in progres

Prospect Evaluation as an Emerging Pre-Evaluation Technique in the Case of Great Plains Wheat Producers’ Use of Web 2.0 Technology

We introduce a pre-evaluation technique, prospect evaluation, in the case of Great Plains wheat producers’ practices with Web 2.0. We emerged prospect evaluation as a pre-evaluation technique, expanding the role of evaluative logic and reasoning into the ideation phase of project and product development to close the risk gap between project idea and implementation. Prospect evaluation serves as a prequel to the well-established developmental, formative, and summative evaluation models. We implemented the prospect evaluation technique in the context of iWheat, a USDA-funded Web 2.0 project (currently known as myFields, http://myfields.info/dashboard). Wheat producers were comfortable using computers; however, they conceptualized the Internet with a Web 1.0 mindset that depends on a centralized model of development and delivery of content. Wheat producers were not comfortable actively co-creating useful information for the betterment of community, a fundamental underpinning of Web 2.0 advancement. Extension specialists and educators should focus on the rewards of contributing to Web 2.0 sites and proceed in diffusing Web 2.0 tools to the wheat producers. Prospect evaluation was sufficient for helping project leaders bridge the risk gap and move forward with the project

Genomic and Transcriptomic Alterations Associated with STAT3 Activation in Head and Neck Cancer.

BackgroundHyperactivation of STAT3 via constitutive phosphorylation of tyrosine 705 (Y705) is common in most human cancers, including head and neck squamous carcinoma (HNSCC). STAT3 is rarely mutated in cancer and the (epi)genetic alterations that lead to STAT3 activation are incompletely understood. Here we used an unbiased approach to identify genomic and epigenomic changes associated with pSTAT3(Y705) expression using data generated by The Cancer Genome Atlas (TCGA).Methods and findingsMutation, mRNA expression, promoter methylation, and copy number alteration data were extracted from TCGA and examined in the context of pSTAT3(Y705) protein expression. mRNA expression levels of 1279 genes were found to be associated with pSTAT3(705) expression. Association of pSTAT3(Y705) expression with caspase-8 mRNA expression was validated by immunoblot analysis in HNSCC cells. Mutation, promoter hypermethylation, and copy number alteration of any gene were not significantly associated with increased pSTAT3(Y705) protein expression.ConclusionsThese cumulative results suggest that unbiased approaches may be useful in identifying the molecular underpinnings of oncogenic signaling, including STAT3 activation, in HNSCC. Larger datasets will likely be necessary to elucidate signaling consequences of infrequent alterations

An implementation of Deflate in Coq

The widely-used compression format "Deflate" is defined in RFC 1951 and is based on prefix-free codings and backreferences. There are unclear points about the way these codings are specified, and several sources for confusion in the standard. We tried to fix this problem by giving a rigorous mathematical specification, which we formalized in Coq. We produced a verified implementation in Coq which achieves competitive performance on inputs of several megabytes. In this paper we present the several parts of our implementation: a fully verified implementation of canonical prefix-free codings, which can be used in other compression formats as well, and an elegant formalism for specifying sophisticated formats, which we used to implement both a compression and decompression algorithm in Coq which we formally prove inverse to each other -- the first time this has been achieved to our knowledge. The compatibility to other Deflate implementations can be shown empirically. We furthermore discuss some of the difficulties, specifically regarding memory and runtime requirements, and our approaches to overcome them

Signatures of the Youngest Starbursts: Optically-thick Thermal Bremsstrahlung Radio Sources in Henize 2-10

VLA radio continuum imaging reveals compact (<8 pc) ~1 mJy radio sources in the central 5" starburst region of the blue compact galaxy Henize 2-10. We interpret these radio knots as extremely young, ultra-dense HII regions. We model their luminosities and spectral energy distributions, finding that they are consistent with unusually dense HII regions having electron densities, 1500 cm^-3 < n_e < 5000 cm^-3, and sizes of 3-8 pc. Since these H II regions are not visible in optical images, we propose that the radio data preferentially reveal the youngest, densest, and most highly obscured starforming events. Energy considerations imply that each of the five \HII regions contains ~750 O7V equivalent stars, greater than the number found in 30 Doradus in the LMC. The high densities imply an over-pressure compared to the typical interstellar medium so that such objects must be short-lived (<0.5 Myr expansion timescales). We conclude that the radio continuum maps reveal the very young (<0.5 Myr) precursors of ``super starclusters'' or ``proto globular clusters'' which are prominent at optical and UV wavelengths in He 2-10. If the ultra-dense HII regions are typical of those which we predict will be found in other starbursting systems, then super starclusters spend 15% of their lifetime in heavily-obscured environments, similar to Galactic ultra-compact HII regions. This body of work leads us to propose that massive extragalactic star clusters (i.e. proto globular clusters) with ages <10^6 yr may be most easily identified by finding compact radio sources with optically-thick thermal bremsstrahlung spectral signatures.Comment: AASTeX, 8 figures 2 included with psfig in text; other 6 in jpeg format; Postscript versions of figures may be found at http://zem.ucolick.org/chip/Research/young_clusters.html -- Accepted for publication in the Astrophysical Journa

Cerebellum Transcriptome of Mice Bred for High Voluntary Activity Offers Insights into Locomotor Control and Reward-Dependent Behaviors.

The role of the cerebellum in motivation and addictive behaviors is less understood than that in control and coordination of movements. High running can be a self-rewarding behavior exhibiting addictive properties. Changes in the cerebellum transcriptional networks of mice from a line selectively bred for High voluntary running (H) were profiled relative to an unselected Control (C) line. The environmental modulation of these changes was assessed both in activity environments corresponding to 7 days of Free (F) access to running wheel and to Blocked (B) access on day 7. Overall, 457 genes exhibited a significant (FDR-adjusted P-value &lt; 0.05) genotype-by-environment interaction effect, indicating that activity genotype differences in gene expression depend on environmental access to running. Among these genes, network analysis highlighted 6 genes (Nrgn, Drd2, Rxrg, Gda, Adora2a, and Rab40b) connected by their products that displayed opposite expression patterns in the activity genotype contrast within the B and F environments. The comparison of network expression topologies suggests that selection for high voluntary running is linked to a predominant dysregulation of hub genes in the F environment that enables running whereas a dysregulation of ancillary genes is favored in the B environment that blocks running. Genes associated with locomotor regulation, signaling pathways, reward-processing, goal-focused, and reward-dependent behaviors exhibited significant genotype-by-environment interaction (e.g. Pak6, Adora2a, Drd2, and Arhgap8). Neuropeptide genes including Adcyap1, Cck, Sst, Vgf, Npy, Nts, Penk, and Tac2 and related receptor genes also exhibited significant genotype-by-environment interaction. The majority of the 183 differentially expressed genes between activity genotypes (e.g. Drd1) were under-expressed in C relative to H genotypes and were also under-expressed in B relative to F environments. Our findings indicate that the high voluntary running mouse line studied is a helpful model for understanding the molecular mechanisms in the cerebellum that influence locomotor control and reward-dependent behaviors

Variable Hard X-ray Emission from the Candidate Accreting Black Hole in Dwarf Galaxy Henize 2-10

We present an analysis of the X-ray spectrum and long-term variability of the nearby dwarf starburst galaxy Henize 2-10. Recent observations suggest that this galaxy hosts an actively accreting black hole with mass ~10^6 M_sun. The presence of an AGN in a low-mass starburst galaxy marks a new environment for active galactic nuclei (AGNs), with implications for the processes by which "seed" black holes may form in the early Universe. In this paper, we analyze four epochs of X-ray observations of Henize 2-10, to characterize the long-term behavior of its hard nuclear emission. We analyze observations with Chandra from 2001 and XMM-Newton from 2004 and 2011, as well as an earlier, less sensitive observation with ASCA from 1997. Based on detailed analysis of the source and background, we find that the hard (2-10 keV) flux of the putative AGN has decreased by approximately an order of magnitude between the 2001 Chandra observation and exposures with XMM-Newton in 2004 and 2011. The observed variability confirms that the emission is due to a single source. It is unlikely that the variable flux is due to a supernova or ultraluminous X-ray source, based on the observed long-term behavior of the X-ray and radio emission, while the observed X-ray variability is consistent with the behavior of well-studied AGNs.Comment: 7 pages, 4 figures, 2 tables; accepted for publication in Ap