Distributed XML Query Processing

While centralized query processing over collections of XML data stored at a single site is a well understood problem, centralized query evaluation techniques are inherently limited in their scalability when presented with large collections (or a single, large document) and heavy query workloads. In the context of relational query processing, similar scalability challenges have been overcome by partitioning data collections, distributing them across the sites of a distributed system, and then evaluating queries in a distributed fashion, usually in a way that ensures locality between (sub-)queries and their relevant data. This thesis presents a suite of query evaluation techniques for XML data that follow a similar approach to address the scalability problems encountered by XML query evaluation. Due to the significant differences in data and query models between relational and XML query processing, it is not possible to directly apply distributed query evaluation techniques designed for relational data to the XML scenario. Instead, new distributed query evaluation techniques need to be developed. Thus, in this thesis, an end-to-end solution to the scalability problems encountered by XML query processing is proposed. Based on a data partitioning model that supports both horizontal and vertical fragmentation steps (or any combination of the two), XML collections are fragmented and distributed across the sites of a distributed system. Then, a suite of distributed query evaluation strategies is proposed. These query evaluation techniques ensure locality between each fragment of the collection and the parts of the query corresponding to the data in this fragment. Special attention is paid to scalability and query performance, which is achieved by ensuring a high degree of parallelism during distributed query evaluation and by avoiding access to irrelevant portions of the data. For maximum flexibility, the suite of distributed query evaluation techniques proposed in this thesis provides several alternative approaches for evaluating a given query over a given distributed collection. Thus, to achieve the best performance, it is necessary to predict and compare the expected performance of each of these alternatives. In this work, this is accomplished through a query optimization technique based on a distribution-aware cost model. The same cost model is also used to fine-tune the way a collection is fragmented to the demands of the query workload evaluated over this collection. To evaluate the performance impact of the distributed query evaluation techniques proposed in this thesis, the techniques were implemented within a production-quality XML database system. Based on this implementation, a thorough experimental evaluation was performed. The results of this evaluation confirm that the distributed query evaluation techniques introduced here lead to significant improvements in query performance and scalability both when compared to centralized techniques and when compared to existing distributed query evaluation techniques

Structure-based discovery of opioid analgesics with reduced side effects

Morphine is an alkaloid from the opium poppy used to treat pain. The potentially lethal side effects of morphine and related opioids—which include fatal respiratory depression—are thought to be mediated by μ-opioid-receptor (μOR) signalling through the β-arrestin pathway or by actions at other receptors. Conversely, G-protein μOR signalling is thought to confer analgesia. Here we computationally dock over 3 million molecules against the μOR structure and identify new scaffolds unrelated to known opioids. Structure-based optimization yields PZM21—a potent Gi activator with exceptional selectivity for μOR and minimal β-arrestin-2 recruitment. Unlike morphine, PZM21 is more efficacious for the affective component of analgesia versus the reflexive component and is devoid of both respiratory depression and morphine-like reinforcing activity in mice at equi-analgesic doses. PZM21 thus serves as both a probe to disentangle μOR signalling and a therapeutic lead that is devoid of many of the side effects of current opioids

Midwest vision for sustainable fuel production

This article charts the progress of CenUSA Bioenergy, a USDA-NIFA-AFRI coordinated agricultural project focused on the North Central region of the US. CenUSA’s vision is to develop a regional system for producing fuels and other products from perennial grass crops grown on marginally productive land or land that is otherwise unsuitable for annual cropping. This article focuses on contributions CenUSA has made to nine primary systems needed to make this vision a reality: feedstock improvement; feedstock production on marginal land; feedstock logistics; modeling system performance; feedstock conversion into biofuels and other products; marketing; health and safety; education, and outreach. The final section, Future Perspectives, sets forth a roadmap of additional research, technology development and education required to realize commercialization

Patterns of HIV prevalence among injecting drug users in the cross-border area of Lang Son Province, Vietnam, and Ning Ming County, Guangxi Province, China

BACKGROUND: To assess patterns of injecting drug use and HIV prevalence among injecting drug users (IDUs) in an international border area along a major heroin trans-shipment route. METHODS: Cross-sectional surveys of IDUs in 5 sites in Lang Son Province, Vietnam (n = 348) and 3 sites in Ning Ming County, Guangxi Province, China (n = 308). Respondents were recruited through peer referral ("snowball") methods in both countries, and also from officially recorded lists of IDUs in Vietnam. A risk behavior questionnaire was administered and HIV counseling and testing conducted. RESULTS: Participants in both countries were largely male, in their 20s, and unmarried. A majority of subjects in both countries were members of ethnic minority groups. There were strong geographic gradients for length of drug injecting and for HIV seroprevalence. Both mean years injecting and HIV seroprevalence declined from the Vietnamese site farthest from the border to the Chinese site farthest from the border. 10.6% of participants in China and 24.5% of participants in Vietnam reported crossing the international border in the 6 months prior to interview. Crossing the border by IDUs was associated with (1) distance from the border, (2) being a member of an ethnic minority group, and (3) being HIV seropositive among Chinese participants. CONCLUSION: Reducing the international spread of HIV among IDUs will require programs at the global, regional, national, and "local cross border" levels. At the local cross border level, the programs should be coordinated on both sides of the border and on a sufficient scale that IDUs will be able to readily obtain clean injection equipment on the other side of the border as well as in their country of residence

Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice

On the surface of water ice, a quasi-liquid layer (QLL) has been extensively reported at temperatures below its bulk melting point at 273 K. Approaching the bulk melting temperature from below, the thickness of the QLL is known to increase. To elucidate the precise temperature variation of the QLL, and its nature, we investigate the surface melting of hexagonal ice by combining noncontact, surface-specific vibrational sum frequency generation (SFG) spectroscopy and spectra calculated from molecular dynamics simulations. Using SFG, we probe the outermost water layers of distinct single crystalline ice faces at different temperatures. For the basal face, a stepwise, sudden weakening of the hydrogen-bonded structure of the outermost water layers occurs at 257 K. The spectral calculations from the molecular dynamics simulations reproduce the experimental findings; this allows us to interpret our experimental findings in terms of a stepwise change from one to two molten bilayers at the transition temperature

The Hordeum Toolbox: The Barley Coordinated Agricultural Project Genotype and Phenotype Resource

The use of DNA markers in public sector plant breeding is now the norm. Such markers are common across breeding programs and this commonality enables and enhances collaboration. Therefore, large collaborative research projects that measure several phenotypes across multiple environments coupled with the expanding amount of genotype data attainable with current marker technologies are on the rise and these projects demand efficient data delivery. However, development of computational tools for advanced data integration, visualization, and analysis is still a bottleneck, even though these resources have the greatest potential impact for users who are extracting and developing hypothesis-based solutions. The Hordeum Toolbox (THT) was developed as a data resource for the Barley Coordinated Agricultural Project (CAP) with the novel capability of constructing user-defined downloadable sets of phenotype and/or genotype data for downstream analysis. Internal tools in THT enable users to create clusters of a selected group of lines based on genotype data, parse pedigrees, and select germplasm based on haplotype, phenotype, and agronomic properties. The Hordeum Toolbox can be adapted to breeding programs or collaborations to assist researchers in germplasm selection, genotype data visualization, and the integration of complex data sets for statistical analysisThis is the publisher’s final pdf. The published article is copyrighted by the Crop Science Society of America and can be found at: https://www.crops.org/publications/tp