A new pentameric structure of rotavirus NSP4 revealed by molecular replacement

The region spanning residues 95-146 of the rotavirus nonstructural protein NSP4 from the asymptomatic human strain ST3 has been purified and crystallized and diffraction data have been collected to a resolution of 2.6 angstrom. Several attempts to solve the structure by the molecular-replacement method using the available tetrameric structures of this domain were unsuccessful despite a sequence identity of 73% to the already known structures. A more systematic approach with a dimer as the search model led to an unexpected pentameric structure using the program Phaser. The various steps involved in arriving at this molecular-replacement solution, which unravelled a case of subtle variation between different oligomeric states unknown at the time of solving the structure, are presented in this paper.

Atomic layer deposition of ZrO2 thin films: Study of growth kinetics and dielectric behaviour

Thin films of ZrO2 have been deposited by ALD on Si(100) and SIMOX using two different metalorganic complexes of Zr as precursors. These films are characterized by X-ray diffraction, transmission and scanning electron microscopies, infrared spectroscopy, and electrical measurements. These show that amorphous ZrO2 films of high dielectric quality may be grown on Si(100) starting about 400degreesC. As the growth temperature is raised, the films become crystalline, the phase formed and the microstructure depending on precursor molecular structure. The phase of ZrO2 formed depends also on the relative duration of the precursor and oxygen pulses. XPS and IR spectroscopy show that films grown at low temperatures contain chemically unbound carbon, its extent depending on the precursor. C-V measurements show that films grown on Si(100) have low interface state density, low leakage current, a hysteresis width of only 10-250 mV and a dielectric constant of similar to16-25.

Severe diffraction anisotropy, rotational pseudosymmetry and twinning complicate the refinement of a pentameric coiled-coil structure of NSP4 of rotavirus

The crystal structure of the region spanning residues 95-146 of the rotavirus nonstructural protein NSP4 from the asymptomatic human strain ST3 was determined at a resolution of 2.5 angstrom. Severe diffraction anisotropy, rotational pseudo-symmetry and twinning complicated the refinement of this structure. A systematic explanation confirming the crystal pathologies and describing how the structure was successfully refined is given in this report.

Avaliação de Correlações e Equações de Estado para Determinação de Fatores de Compressibilidade de Gás Natural

O fator de compressibilidade (Z) de gás natural é utilizado em vários cálculos na engenharia de petróleo (avaliação de formações, perda de carga em tubulações, gradiente de pressão em poços de gás, cálculos de balanço de massa, medição de gás, compressão e processamento de gás). As fontes mais comuns de valores de Z são medições experimentais, caras e demoradas. Essa propriedade também é estimada por correlações empíricas, modelos baseados no princípio dos estados correspondentes ou equações de estado (EOS). Foram avaliadas as capacidades das EOS de Soave-Redlich-Kwong (SRK), Peng-Robinson (PR), Patel-Teja (PT), Patel-Teja-Valderrama (PTV), Schmidt-Wenzel (SW), Lawal-Lake-Silberberg (LLS) e AGA-8 para previsão desta propriedade em aproximadamente 2200 pontos de dados experimentais. Estes pontos foram divididos em quatro grupos: Grupo 1 (Presença de frações C7+, Grupo 2 (temperaturas inferiores a 258,15 K), Grupo 3 (pressões superiores a 10000 kPa) e Grupo 4 (pressões inferiores a 10000 kPa). Os cálculos utilizando as equações de estado sob diferentes esquemas de previsão de coeficientes binários de interação foram cuidadosamente investigados. Os resultados sugerem que a EOS AGA-8 apresenta os menores erros para pressões de até 70000 kPa. Entretanto, observou-se uma tendência de aumento nos desvios médios absolutos em função das concentrações de CO2 e H2S. As EOS PTV e a EOS SW são capazes de predizer o fator de compressibilidade (Z) com desvios médios absolutos entre os valores calculados e experimentais com precisão satisfatória para a maioria das aplicações, para uma variada faixa de temperatura e pressão. Este estudo também apresenta uma avaliação de 224 métodos de cálculo de Z onde foram utilizadas 8 correlações combinadas com 4 regras de mistura para estimativa de temperaturas e pressões pseudorreduzidas das amostras, junto com 7 métodos de caracterização das propriedades críticas da fração C7+, quando presente na composição do gás. Em função dos resultados são sugeridas, para diferentes tipos de sistemas, as melhores combinações de correlações com regras de mistura capazes de predizer fatores de compressibilidade (Z) com os menores erros absolutos médios relativos

On the transport properties of fluid-particle flow

The hydrodynamic forces acting on a solid particle in a viscous, incompressible fluid medium at low Reynolds number flow is investigated mathematically as a prerequisite to the understanding of transport processes in two-phase flow involving solid particles and fluid. Viscous interaction between a small number of spherical particles and continuous solid boundaries as well as fluid interface are analyzed under a “point-force” approximation. Non-spherical and elastic spherical particles in a simple shear flow area are then considered. Non-steady motion of a spherical particle is briefly touched upon to illustrate the transient effect of particle motion.

A macroscopic continuum description of particle-fluid flow is formulated in terms of spatial averages yielding a set of particle continuum and bulk fluid equations. Phenomenological formulas describing the transport processes in a fluid medium are extended to cases where the volume concentration of solid particles is sufficiently high to exert an important influence. Hydrodynamic forces acting on a spherical solid particle in such a system, e.g. drag, torque, rotational coupling force, and viscous collision force between streams of different sized particles moving relative to each other are obtained. Phenomenological constants, such as the shear viscosity coefficient, and the diffusion coefficient of the bulk fluid, are found as a function of the material properties of the constituents of the two-phase system and the volume concentration of solid. For transient heat conduction phenomena, it is found that the introduction of a complex conductivity for the bulk fluid permits a simple mathematical description of this otherwise complicated process. The rate of heat transfer between particle continuum and bulk fluid is also investigated by means of an Oseen-type approximation to the energy equation.

A comparison between circle hook and J hook performance in the dolphinfish, yellowfish tuna, and wahoo troll fishery off the coast of North Carolina

We compared numbers of strikes, proportions of fish that hooked up after strikes, proportions of fish that stayed on hook (retained) after hook up, and numbers of fish caught between circle and J hooks rigged with dead natural fish bait (ballyhoo)and trolled for three oceanic predator species: dolphinfish (Coryphaena hippurus), yellowfin tuna (Thunnus albacares), and wahoo (Acanthocybium solandri). Interactions were compared between circle and J hooks fished on 75 trips by two user groups (charter and recreational fishermen). Hooks were affixed to three species-specific leader types most commonly fished in this region: monofilament (dolphinfish), fluorocarbon (tuna), and wire (wahoo). Numbers of fish caught per trip and three potential mechanisms that might inf luence numbers caught (i.e., number of strikes, proportion of fish hooked, and proportion retained) were modeled with generalized linear models that considered hook type, leader type, species, user (fishing) group, and wave height as main effects. Hook type was a main effect at the catch level; generally, more fish were caught on J hooks than on circle hooks. The effect of hook type on strike rates was equivocal. However, J hooks had a greater proportion of hook-ups than did circle hooks. Finally, the proportion of fish retained once hooked was generally equal between hook types. We found similar results when data from additional species were pooled as a “tuna” group and a “mackerel” group. We conclude that J hooks are more effective than circle hooks at the hook-up level and result in greater numbers of troll-caught dolphinfish, tunas

An ecological characterization of the Stellwagen Bank National Marine Sanctuary Region: oceanographic, biogeographic, and contaminants assessment

The mission of NOAA’s National Marine Sanctuary Program (NMSP) is to serve as the trustee for a system of marine protected areas, to conserve, protect, and enhance their biodiversity, ecological integrity, and cultural legacy while facilitating compatible uses. Since 1972, thirteen National Marine Sanctuaries, representing a wide variety of ocean environments, have been established, each with management goals tuned to their unique diversity. Extending from Cape Ann to Cape Cod across the mouth of Massachusetts Bay, Stellwagen Bank National Marine Sanctuary (NMS) encompasses 2,181 square kilometers of highly productive, diverse, and culturally unique Federal waters. As a result of its varied seafloor topography, oceanographic conditions, and high primary productivity, Stellwagen Bank NMS is utilized by diverse assemblages of seabirds, marine mammals, invertebrates, and fish species, as well as containing a number of maritime heritage resources. Furthermore, it is a region of cultural significance, highlighted by the recent discovery of several historic shipwrecks. Officially designated in 1992, Stellwagen Bank became the Nation’s twelfth National Marine Sanctuary in order to protect these and other unique biological, geological, oceanographic, and cultural features of the region. The Stellwagen Bank NMS is in the midst of its first management plan review since designation. The management plan review process, required by law, is designed to evaluate, enhance, and guide the development of future research efforts, education and outreach, and the management approaches used by Sanctuaries. Given the ecological and physical complexity of Stellwagen Bank NMS, burgeoning anthropogenic impacts to the region, and competing human and biological uses, the review process was challenged to assimilate and analyze the wealth of existing scientific knowledge in a framework which could enhance management decision-making. Unquestionably, the Gulf of Maine, Massachusetts Bay, and Stellwagen Bank-proper are extremely well studied systems, and in many regards, the scientific information available greatly exceeds that which is available for other Sanctuaries. However, the propensity of scientific information reinforces the need to utilize a comprehensive analytical approach to synthesize and explore linkages between disparate information on physical, biological, and chemical processes, while identifying topics needing further study. Given this requirement, a partnership was established between NOAA’s National Marine Sanctuary Program (NMSP) and the National Centers for Coastal Ocean Science (NCCOS) so as to leverage existing NOAA technical expertise to assist the Sanctuary in developing additional ecological assessment products which would benefit the management plan review process.

A biogeographic assessment of the Channel Islands National Marine Sanctuary: a review of boundary expansion concepts for NOAA’s National Marine Sanctuary Program

The priority management goal of the National Marine Sanctuaries Program (NMSP) is to protect marine ecosystems and biodiversity. This goal requires an understanding of broad-scale ecological relationships and linkages between marine resources and physical oceanography to support an ecosystem management approach. The Channel Islands National Marine Sanctuary (CINMS) is currently reviewing its management plan and investigating boundary expansion. A management plan study area (henceforth, Study Area) was described that extends from the current boundary north to the mainland, and extends north to Point Sal and south to Point Dume. Six additional boundary concepts were developed that vary in area and include the majority of the Study Area. The NMSP and CINMS partnered with NOAA’s National Centers for Coastal Ocean Science Biogeography Team to conduct a biogeographic assessment to characterize marine resources and oceanographic patterns within and adjacent to the sanctuary. This assessment includes a suite of quantitative spatial and statistical analyses that characterize biological and oceanographic patterns in the marine region from Point Sal to the U.S.-Mexico border. These data were analyzed using an index which evaluates an ecological “cost-benefit” within the proposed boundary concepts and the Study Area. The sanctuary resides in a dynamic setting where two oceanographic regimes meet. Cold northern waters mix with warm southern waters around the Channel Islands creating an area of transition that strongly influences the regions oceanography. In turn, these processes drive the biological distributions within the region. This assessment analyzes bathymetry, benthic substrate, bathymetric life-zones, sea surface temperature, primary production, currents, submerged aquatic vegetation, and kelp in the context of broad-scale patterns and relative to the proposed boundary concepts and the Study Area. Boundary cost-benefit results for these parameters were variable due to their dynamic nature; however, when analyzed in composite the Study Area and Boundary Concept 2 were considered the most favorable. Biological data were collected from numerous resource agencies and university scientists for this assessment. Fish and invertebrate trawl data were used to characterize community structure. Habitat suitability models were developed for 15 species of macroinvertebrates and 11 species of fish that have significant ecological, commercial, or recreational importance in the region and general patterns of ichthyoplankton distribution are described. Six surveys of ship and plane at-sea surveys were used to model marine bird diversity from Point Arena to the U.S.-Mexico border. Additional surveys were utilized to estimate density and colony counts for nine bird species. Critical habitat for western snowy plover and the location of California least tern breeding pairs were also analyzed. At-sea surveys were also used to describe the distribution of 14 species of cetaceans and five species of pinnipeds. Boundary concept cost-benefit indices revealed that Boundary Concept 2 and the Study Area were most favorable for the majority of the species-specific analyses. Boundary Concept 3 was most favorable for bird diversity across the region. Inadequate spatial resolution for fish and invertebrate community data and incompatible sampling effort information for bird and mammal data precluded boundary cost-benefit analysis.

Survey and impact assessment of derelict fish traps in St. Thomas and St. John, U.S. Virgin Islands

Since 2001, NOAA National Centers for Coastal Ocean Science (NCCOS), Center for Coastal Monitoring and Assessment’s (CCMA) Biogeography Branch (BB) has been working with federal and territorial partners to characterize, monitor, and assess the status of the marine environment across the U.S. Virgin Islands (USVI). At the request of the St. Thomas Fisherman’s Association (STFA) and NOAA Marine Debris Program, CCMA BB developed new partnerships and novel technologies to scientifically assess the threat from derelict fish traps (DFTs). Traps are the predominant gear used for finfish and lobster harvesting in St. Thomas and St. John. Natural phenomena (ground swells, hurricanes) and increasing competition for space by numerous user groups have generated concern about increasing trap loss and the possible ecological, as well as economic, ramifications. Prior to this study, there was a general lack of knowledge regarding derelict fish traps in the Caribbean. No spatially explicit information existed regarding fishing effort, abundance and distribution of derelict traps, the rate at which active traps become derelict, or areas that are prone to dereliction. Furthermore, there was only limited information regarding the impacts of derelict traps on natural resources including ghost fishing. This research identified two groups of fishing communities in the region: commercial fishing that is most active in deeper waters (30 m and greater) and an unknown number of unlicensed subsistence and or commercial fishers that fish closer to shore in shallower waters (30 m and less). In the commercial fishery there are an estimated 6,500 active traps (fish and lobster combined). Of those traps, nearly 8% (514) were reported lost during the 2008-2010 period. Causes of loss/dereliction include: movement of the traps or loss of trap markers due to entanglement of lines by passing vessels; theft; severe weather events (storms, large ground swells); intentional disposal by fishermen; traps becoming caught on various bottom structures (natural substrates, wrecks, etc.); and human error.

Fish movement patterns in Virgin Islands National Park, Virgin Islands Coral Reef National Monument and adjacent waters

NOAA’s National Centers for Coastal Ocean Science (NCCOS)-Center for Coastal Monitoring and Assessment’s (CCMA) Biogeography Branch, National Park Service (NPS), US Geological Survey, and the University of Hawaii used acoustic telemetry to quantify spatial patterns and habitat affinities of reef fishes around the island of St. John, US Virgin Islands. The objective of the study was to define the movements of reef fishes among habitats within and between the Virgin Islands Coral Reef National Monument (VICRNM), the Virgin Islands National Park (VIIS), and Territorial waters surrounding St. John. In order to better understand species’ habitat utilization patterns among management regimes, we deployed an array of hydroacoustic receivers and acoustically tagged reef fishes. Thirty six receivers were deployed in shallow near-shore bays and across the shelf to depths of approximately 30 m. One hundred eighty four individual fishes were tagged representing 19 species from 10 different families with VEMCO V9-2L-R64K transmitters. The array provides fish movement information at fine (e.g., day-night and 100s meters within a bay) to broad spatial and temporal scales (multiple years and 1000s meters across the shelf). The long term multi-year tracking project provides direct evidence of connectivity across habitat types in the seascape and among management units. An important finding for management was that a number of individuals moved among management units (VICRNM, VINP, Territorial waters) and several snapper moved from near-shore protected areas to offshore shelf-edge spawning aggregations. However, most individuals spent the majority of their time with VIIS and VICRNM, with only a few wide-ranging species moving outside the management units. Five species of snappers (Lutjanidae) accounted for 31% of all individuals tagged, followed by three species of grunts (Haemulidae) accounting for an additional 23% of the total. No other family had more than a single species represented in the study. Bluestripe grunt (Haemulon sciurus) comprised 22% of all individuals tagged, followed by lane snappers (Lutjanus synagris) at 21%, bar jack (Carangoides ruber) at 11%, and saucereye porgy (Calamus calamus) at 10%. The largest individual tagged was a 70 cm TL nurse shark (Ginglymostoma cirratum), followed by a 65 cm mutton snapper (Lutjanus analis), a 47 cm bar jack, and a 41 cm dog snapper (Lutjanus jocu). The smallest individuals tagged were a 19 cm blue tang (Acanthurus coeruleus) and a 19.2 cm doctorfish (Acanthurus chirurgus). Of the 40 bluestriped grunt acoustically tagged, 73% were detected on the receiver array. The average days at large (DAL) was 249 (just over 8 months), with one individual detected for 930 days (over two and a half years). Lane snapper were the next most abundant species tagged (N = 38) with 89% detected on the array. The average days at large (DAL) was 221 with one individual detected for 351 days. Seventy-one percent of the bar jacks (N = 21) were detected on the array with the average DALs at 47 days. All of the mutton snapper (N = 12) were detected on the array with an average DAL of 273 and the longest at 784. The average maximum distance travelled (MDT) was ca. 2 km with large variations among species. Grunts, snappers, jacks, and porgies showed the greatest movements. Among all individuals across species, there was a positive and significant correlation between size of individuals and MDT and between DAL and MDT.

Baseline assessment of Fish and Coral bays, St. John, U.S. Virgin Islands in support of watershed restoration activities, part I: fish, coral and benthic habitats

This report provides baseline biological data on fishes, corals and habitats in Coral and Fish Bays, St. John, USVI. A similar report with data on nutrients and contaminants in the same bays is planned to be completed in 2013. Data from NOAA’s long-term Caribbean Coral Reef Ecosystem Monitoring program was compiled to provide a baseline assessment of corals, fishes and habitats from 2001 to 2010, data needed to assess the impacts of erosion control projects installed from 2010 to 2011. The baseline data supplement other information collected as part of the USVI Watershed Stabilization Project, a project funded by the American Recovery and Reinvestment Act of 2009 and distributed through the NOAA Restoration Center, but uses data which is not within the scope of ARRA funded work. We present data on 16 ecological indicators of fishes, corals and habitats. These indicators were chosen because of their sensitivity to changes in water quality noted in the scientific literature (e.g., Rogers 1990, Larsen and Webb 2009). We report long-term averages and corresponding standard errors, plot annual averages, map indicator values and list inventories of coral and fish species identified among surveys. Similar data will be needed in the future to make rigorous comparisons and determine the magnitude of any impacts from watershed stabilization.

Assessing the impacts of experimental derelict fish traps in the U.S. Virgin Islands [Poster]

Fish traps are commonly used throughout the Caribbean to catch reef fish species and lobster and are the primary gear of choice for fishermen in the U.S. Virgin Islands. Once they are lost or abandoned they are referred to as derelict fish traps (DFTs)and a widespread concern exists that they contribute to ghostfishing. Ghostfishing occurs when derelict fishing gear continues to catch fish and induce mortality. Despite the public concerns that DFTs are an environmental threat, few studies have quantified the level of ghostfishing in the Caribbean. To address concerns from the fishing community and other marine stakeholders, this study provides the first experimental examination of ghostfishing impacts to fish and the potential economic impacts to fisheries in the U.S. Virgin Islands.

Coral reef ecosystems of Reserva Natural de La Parguera (Puerto Rico): spatial and temporal patterns in fish and benthic communities (2001-2007)

Since 1999, NOAA’s Center for Coastal Monitoring and Assessment, Biogeography Branch (CCMA-BB) has been working with federal and territorial partners to characterize monitor and assess the status of the marine environment in southwestern Puerto Rico. This effort is part of the broader NOAA Coral Reef Conservation Program’s (CRCP) National Coral Reef Ecosystem Monitoring Program (NCREMP). With support from CRCP’s NCREMP, CCMA conducts the “Caribbean Coral Reef Ecosystem Monitoring project” (CREM) with goals to: (1) spatially characterize and monitor the distribution, abundance and size of marine fauna associated with shallow water coral reef seascapes (mosaics of coral reefs, seagrasses, sand and mangroves); (2) relate this information to in situ fine-scale habitat data and the spatial distribution and diversity of habitat types using benthic habitat maps; (3) use this information to establish the knowledge base necessary for enacting management decisions in a spatial setting; (4) establish the efficacy of those management decisions; and (5) develop data collection and data management protocols. The monitoring effort of the La Parguera region in southwestern Puerto Rico was conducted through partnerships with the University of Puerto Rico (UPR) and the Puerto Rico Department of Natural and Environmental Resources (DNER). Project funding was primarily provided by NOAA CRCP and CCMA. In recent decades, scientific and non-scientific observations have indicated that the structure and function of the coral reef ecosystem in the La Parguera region have been adversely impacted by a wide range of environmental stressors. The major stressors have included the mass Diadema die off in the early 1980s, a suite of hurricanes, overfishing, mass mortality of Acropora corals due to disease and several coral bleaching events, with the most severe mass bleaching episode in 2005. The area is also an important recreational resource supporting boating, snorkeling, diving and other water based activities. With so many potential threats to the marine ecosystem several activities are underway or have been implemented to manage the marine resources. These efforts have been supported by the CREM project by identifying marine fauna and their spatial distributions and temporal dynamics. This provides ecologically meaningful data to assess ecosystem condition, support decision making in spatial planning (including the evaluation of efficacy of current management strategies) and determine future information needs. The ultimate goal of the work is to better understand the coral reef ecosystems and to provide information toward protecting and enhancing coral reef ecosystems for the benefit of the system itself and to sustain the many goods and services that it offers society. This Technical Memorandum contains analysis of the first seven years of fish survey data (2001-2007) and associated characterization of the benthos. The primary objectives were to quantify changes in fish species and assemblage diversity, abundance, biomass and size structure and to provide spatially explicit information on the distribution of key species or groups of species and to compare community structure across the seascape including fringing mangroves, inner, middle, and outer reef areas, and open ocean shelf bank areas.