Pre-Construction Biogeochemical Analysis of Mercury in Wetlands Bordering the Hamilton Army Airfield Wetlands Restoration Site

DTIC Science & Technology

2005-09-01

intertidal sites at HAAF and the China Camp State Park (as a reference), as well as at inland sites at HAAF and Bel Marin Creek. Other parameters...friendly framework. This model links the spatial components within GIS files to the prevalent abiotic , climatic, and biotic interactions in the ecosystem...Workshop on Mercury in San Francisco Bay, 8-9 October 2002, Moss Landing Marine Laboratories........................................34 4—Spatial

A molecular theory of liquid interfaces.

PubMed

Kovalenko, Andriy; Hirata, Fumio

2005-04-21

We propose a site site generalization of the Lovett-Mow-Buff-Wertheim integro-differential equation for the one-particle density distributions to polyatomic fluids. The method provides microscopic description of liquid interfaces of molecular fluids and solutions. It uses the inhomogeneous site-site direct correlation function of molecular fluid consistently constructed by nonlinear interpolation between the homogeneous ones. The site site correlations of the coexisting bulk phases are obtained from the reference interaction site model (RISM) integral equation with our closure approximation. For illustration, we calculated the structure of the planar liquid-vapor as well as liquid-liquid interfaces of n-hexane and methanol at ambient conditions.

Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules.

PubMed

Cao, Siqin; Sheong, Fu Kit; Huang, Xuhui

2015-08-07

Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achieve this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute.

Ab initio intermolecular potential energy surface for the CO2—N2 system and related thermophysical properties

NASA Astrophysics Data System (ADS)

Crusius, Johann-Philipp; Hellmann, Robert; Castro-Palacio, Juan Carlos; Vesovic, Velisa

2018-06-01

A four-dimensional potential energy surface (PES) for the interaction between a rigid carbon dioxide molecule and a rigid nitrogen molecule was constructed based on quantum-chemical ab initio calculations up to the coupled-cluster level with single, double, and perturbative triple excitations. Interaction energies for a total of 1893 points on the PES were calculated using the counterpoise-corrected supermolecular approach and basis sets of up to quintuple-zeta quality with bond functions. The interaction energies were extrapolated to the complete basis set limit, and an analytical site-site potential function with seven sites for carbon dioxide and five sites for nitrogen was fitted to the interaction energies. The CO2—N2 cross second virial coefficient as well as the dilute gas shear viscosity, thermal conductivity, and binary diffusion coefficient of CO2—N2 mixtures were calculated for temperatures up to 2000 K to validate the PES and to provide reliable reference values for these important properties. The calculated values are in very good agreement with the best experimental data.

Science Centres and Science Learning.

ERIC Educational Resources Information Center

Rennie, Leonie J.; McClafferty, Terence P.

1996-01-01

Focuses on the interactive science center and its history over the last four decades. Traces the original idea to Francis Bacon. Recommends the use of cross-site studies to develop a model of learning in this setting. Contains 141 references. (DDR)

Beyond the Reference Desk: A Study on the Effectiveness of Low-Cost Distance Library Services at California State University San Marcos

ERIC Educational Resources Information Center

Olivas, Antonia P.; Chan, Ian

2013-01-01

Many of our reference interactions are face-to-face at a desk or in our offices. Unfortunately, not all of our students are on campus. Whether a non-traditional student or a traditional undergraduate, more of our patrons are attending online classes or attending satellite campuses with no librarians on site. It's difficult to reach these students,…

An unconventional origin of metal-ion rescue and inhibition in the Tetrahymena group I ribozyme reaction.

PubMed Central

Shan, S O; Herschlag, D

2000-01-01

The presence of catalytic metal ions in RNA active sites has often been inferred from metal-ion rescue of modified substrates and sometimes from inhibitory effects of alternative metal ions. Herein we report that, in the Tetrahymena group I ribozyme reaction, the deleterious effect of a thio substitution at the pro-Sp position of the reactive phosphoryl group is rescued by Mn2+. However, analysis of the reaction of this thio substrate and of substrates with other modifications strongly suggest that this rescue does not stem from a direct Mn2+ interaction with the Sp sulfur. Instead, the apparent rescue arises from a Mn2+ ion interacting with the residue immediately 3' of the cleavage site, A(+1), that stabilizes the tertiary interactions between the oligonucleotide substrate (S) and the active site. This metal site is referred to as site D herein. We also present evidence that a previously observed Ca2+ ion that inhibits the chemical step binds to metal site D. These and other observations suggest that, whereas the interactions of Mn2+ at site D are favorable for the chemical reaction, the Ca2+ at site D exerts its inhibitory effect by disrupting the alignment of the substrates within the active site. These results emphasize the vigilance necessary in the design and interpretation of metal-ion rescue and inhibition experiments. Conversely, in-depth mechanistic analysis of the effects of site-specific substrate modifications can allow the effects of specific metal ion-RNA interactions to be revealed and the properties of individual metal-ion sites to be probed, even within the sea of metal ions bound to RNA. PMID:10864040

The quality of online antidepressant drug information: an evaluation of English and Finnish language Web sites.

PubMed

Prusti, Marjo; Lehtineva, Susanna; Pohjanoksa-Mäntylä, Marika; Bell, J Simon

2012-01-01

The Internet is a frequently used source of drug information, including among people with mental disorders. Online drug information may be narrow in scope, incomplete, and contain errors of omission. To evaluate the quality of online antidepressant drug information in English and Finnish. Forty Web sites were identified using the search terms antidepressants and masennuslääkkeet in English and Finnish, respectively. Included Web sites (14 English, 8 Finnish) were evaluated for aesthetics, interactivity, content coverage, and content correctness using published criteria. All Web sites were assessed using the Date, Author, References, Type, Sponsor (DARTS) and DISCERN quality assessment tools. English and Finnish Web sites had similar aesthetics, content coverage, and content correctness scores. English Web sites were more interactive than Finnish Web sites (P<.05). Overall, adverse drug reactions were covered on 21 of 22 Web sites; however, drug-alcohol interactions were addressed on only 9 of 22 Web sites, and dose was addressed on only 6 of 22 Web sites. Few (2/22 Web sites) provided incorrect information. The DISCERN score was significantly correlated with content coverage (r=0.670, P<.01), content correctness (r=0.663, P<.01), and the DARTS score (r=0.459, P<.05). No Web site provided information about all aspects of antidepressant treatment. Nevertheless, few Web sites provided incorrect information. Both English and Finnish Web sites were similar in terms of aesthetics, content coverage, and content correctness. Copyright © 2012 Elsevier Inc. All rights reserved.

Reference interaction site model and optimized perturbation theories of colloidal dumbbells with increasing anisotropy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Munaò, Gianmarco, E-mail: gmunao@unime.it; Costa, Dino; Caccamo, Carlo

We investigate thermodynamic properties of anisotropic colloidal dumbbells in the frameworks provided by the Reference Interaction Site Model (RISM) theory and an Optimized Perturbation Theory (OPT), this latter based on a fourth-order high-temperature perturbative expansion of the free energy, recently generalized to molecular fluids. Our model is constituted by two identical tangent hard spheres surrounded by square-well attractions with same widths and progressively different depths. Gas-liquid coexistence curves are obtained by predicting pressures, free energies, and chemical potentials. In comparison with previous simulation results, RISM and OPT agree in reproducing the progressive reduction of the gas-liquid phase separation as themore » anisotropy of the interaction potential becomes more pronounced; in particular, the RISM theory provides reasonable predictions for all coexistence curves, bar the strong anisotropy regime, whereas OPT performs generally less well. Both theories predict a linear dependence of the critical temperature on the interaction strength, reproducing in this way the mean-field behavior observed in simulations; the critical density—that drastically drops as the anisotropy increases—turns to be less accurate. Our results appear as a robust benchmark for further theoretical studies, in support to the simulation approach, of self-assembly in model colloidal systems.« less

Cyclophilin B binding to platelets supports calcium-dependent adhesion to collagen.

PubMed

Allain, F; Durieux, S; Denys, A; Carpentier, M; Spik, G

1999-08-01

We have recently reported that cyclophilin B (CyPB), a secreted cyclosporine-binding protein, could bind to T lymphocytes through interactions with two types of binding sites. The first ones, referred to as type I, involve interactions with the conserved domain of CyPB and promote the endocytosis of surface-bound ligand, while the second type of binding sites, termed type II, are represented by glycosaminoglycans (GAG). Here, we further investigated the interactions of CyPB with blood cell populations. In addition to lymphocytes, CyPB was found to interact mainly with platelets. The binding is specific, with a dissociation constant (kd) of 9 +/- 3 nmol/L and the number of sites estimated at 960 +/- 60 per cell. Platelet glycosaminoglycans are not required for the interactions, but the binding is dramatically reduced by active cyclosporine derivatives. We then analyzed the biologic effects of CyPB and found a significant increase in platelet adhesion to collagen. Concurrently, CyPB initiates a transmembranous influx of Ca(2+) and induces the phosphorylation of the P-20 light chains of myosin. Taken together, the present results demonstrate for the first time that extracellular CyPB specifically interacts with platelets through a functional receptor related to the lymphocyte type I binding sites and might act by regulating the activity of a receptor-operated membrane Ca(2+) channel.

Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series.

PubMed

Güssregen, Stefan; Matter, Hans; Hessler, Gerhard; Lionta, Evanthia; Heil, Jochen; Kast, Stefan M

2017-07-24

Water molecules play an essential role for mediating interactions between ligands and protein binding sites. Displacement of specific water molecules can favorably modulate the free energy of binding of protein-ligand complexes. Here, the nature of water interactions in protein binding sites is investigated by 3D RISM (three-dimensional reference interaction site model) integral equation theory to understand and exploit local thermodynamic features of water molecules by ranking their possible displacement in structure-based design. Unlike molecular dynamics-based approaches, 3D RISM theory allows for fast and noise-free calculations using the same detailed level of solute-solvent interaction description. Here we correlate molecular water entities instead of mere site density maxima with local contributions to the solvation free energy using novel algorithms. Distinct water molecules and hydration sites are investigated in multiple protein-ligand X-ray structures, namely streptavidin, factor Xa, and factor VIIa, based on 3D RISM-derived free energy density fields. Our approach allows the semiquantitative assessment of whether a given structural water molecule can potentially be targeted for replacement in structure-based design. Finally, PLS-based regression models from free energy density fields used within a 3D-QSAR approach (CARMa - comparative analysis of 3D RISM Maps) are shown to be able to extract relevant information for the interpretation of structure-activity relationship (SAR) trends, as demonstrated for a series of serine protease inhibitors.

EMI Array for Cued UXO Discrimination

DTIC Science & Technology

2011-02-07

that comprise a chain of former volcanoes extending from the southwest portion of the site to the coast. Due to its proximity to the tectonic ...interaction of the North American and Pacific crustal plates, the area is seismically active. Additional details are available in Reference 11. 4.2.3

Do On-site Mental Health Professionals Change Pediatricians’ Responses to Children’s Mental Health Problems?

PubMed Central

Horwitz, Sarah McCue; Storfer-Isser, Amy; Kerker, Bonnie D.; Szilagyi, Moira; Garner, Andrew S.; O’Connor, Karen G.; Hoagwood, Kimberly E.; Green, Cori M.; Foy, Jane M.; Stein, Ruth E.K.

2016-01-01

Objective The objectives were to: assess the availability of on-site mental health professionals (MHP) in primary care; examine practice/pediatrician characteristics associated with on-site MHPs; and determine whether presence of on-site MHPs is related to pediatricians’ co-managing or more frequently identifying, treat/managing or referring MH problems. Methods Analyses included AAP members who participated in an AAP Periodic Survey in 2013 and who practiced general pediatrics (N=321). Measures included socio-demographics, practice characteristics, questions on about on-site MHPs, co-management of MH problems and pediatricians’ behaviors in response to 5 prevalent MH problems. Weighted univariate, bivariate and multivariable analyses were performed. Results Thirty-five percent reported on-site MHPs. Practice characteristics (medical schools/universities/HMOs, <100 visits/week, <80% of patients privately insured), and interactions of practice location (urban) with visits and patient insurance, were associated with on-site MHPs. There was no overall association between co-location and co-management or whether pediatricians usually identified, treat/managed or referred 5 common child MH problems. Among the subset of pediatricians who reported co-managing there was an association with co-management when the on-site MHP was a child psychiatrist, SA counselor, or social worker. Conclusions On-site MHPs are more frequent in settings where low-income children are served and where pediatricians train. Pediatricians who co-manage MH problems are more likely to do so when the on-site MHP is a child psychiatrist, SA counselor, or social worker. Overall, on-site MHPs were not associated with co-management or increased likelihood of pediatricians identifying, treating/managing, or referring children with 5 common child MH problems. PMID:27064141

Do On-Site Mental Health Professionals Change Pediatricians' Responses to Children's Mental Health Problems?

PubMed

McCue Horwitz, Sarah; Storfer-Isser, Amy; Kerker, Bonnie D; Szilagyi, Moira; Garner, Andrew S; O'Connor, Karen G; Hoagwood, Kimberly E; Green, Cori M; Foy, Jane M; Stein, Ruth E K

2016-01-01

To assess the availability of on-site mental health professionals (MHPs) in primary care; to examine practice/pediatrician characteristics associated with on-site MHPs; and to determine whether the presence of on-site MHPs is related to pediatricians' comanaging or more frequently identifying, treating/managing, or referring mental health (MH) problems. Analyses included American Academy of Pediatrics (AAP) members who participated in an AAP Periodic Survey in 2013 and who practiced general pediatrics (n = 321). Measures included sociodemographics, practice characteristics, questions about on-site MHPs, comanagement of MH problems, and pediatricians' behaviors in response to 5 prevalent MH problems. Weighted univariate, bivariate, and multivariable analyses were performed. Thirty-five percent reported on-site MHPs. Practice characteristics (medical schools, universities, health maintenance organizations, <100 visits per week, <80% of patients privately insured) and interactions of practice location (urban) with visits and patient insurance were associated with on-site MHPs. There was no overall association between colocation and comanagement, or whether pediatricians usually identified, treated/managed, or referred 5 common child MH problems. Among the subset of pediatricians who reported comanaging, there was an association with comanagement when the on-site MHP was a child psychiatrist, substance abuse counselor, or social worker. On-site MHPs are more frequent in settings where low-income children are served and where pediatricians train. Pediatricians who comanage MH problems are more likely to do so when the on-site MHP is a child psychiatrist, substance abuse counselor, or social worker. Overall, on-site MHPs were not associated with comanagement or increased likelihood of pediatricians identifying, treating/managing, or referring children with 5 common child MH problems. Copyright © 2016 Academic Pediatric Association. Published by Elsevier Inc. All rights reserved.

INCAS—Interactive Teleconsultation Network for Worldwide Healthcare Services

PubMed Central

Castelli, A.; Colombo, C.; Garlaschelli, A.; Pepe, G.

2001-01-01

The INCAS Project arises from the needs of an Italian oil company in order to support the doctors responsible for the healthcare in remote drilling sites. The INCAS telemedicine1 system implements a prototype of teleconsultation medical service allowing for the interactive on-line connection with Italian healthcare reference centres in order to: • provide support to the expatriate doctor with the diagnoses and treatment of routine complaints; • contribute to the general improvement of healthcare in remote areas.

Instant Gratification: Striking a Balance Between Rich Interactive Visualization and Ease of Use for Casual Web Surfers

NASA Astrophysics Data System (ADS)

Russell, R. M.; Johnson, R. M.; Gardiner, E. S.; Bergman, J. J.; Genyuk, J.; Henderson, S.

2004-12-01

Interactive visualizations can be powerful tools for helping students, teachers, and the general public comprehend significant features in rich datasets and complex systems. Successful use of such visualizations requires viewers to have, or to acquire, adequate expertise in use of the relevant visualization tools. In many cases, the learning curve associated with competent use of such tools is too steep for casual users, such as members of the lay public browsing science outreach web sites or K-12 students and teachers trying to integrate such tools into their learning about geosciences. "Windows to the Universe" (http://www.windows.ucar.edu) is a large (roughly 6,000 web pages), well-established (first posted online in 1995), and popular (over 5 million visitor sessions and 40 million pages viewed per year) science education web site that covers a very broad range of Earth science and space science topics. The primary audience of the site consists of K-12 students and teachers and the general public. We have developed several interactive visualizations for use on the site in conjunction with text and still image reference materials. One major emphasis in the design of these interactives has been to ensure that casual users can quickly learn how to use the interactive features without becoming frustrated and departing before they were able to appreciate the visualizations displayed. We will demonstrate several of these "user-friendly" interactive visualizations and comment on the design philosophy we have employed in developing them.

Land-Use History and Contemporary Management Inform an Ecological Reference Model for Longleaf Pine Woodland Understory Plant Communities.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brudvig, Lars A.; Orrock, John L.; Damschen, Ellen I.

Ecological restoration is frequently guided by reference conditions describing a successfully restored ecosystem; however, the causes and magnitude of ecosystem degradation vary, making simple knowledge of reference conditions insufficient for prioritizing and guiding restoration. Ecological reference models provide further guidance by quantifying reference conditions, as well as conditions at degraded states that deviate from reference conditions. Many reference models remain qualitative, however, limiting their utility. We quantified and evaluated a reference model for southeastern U.S. longleaf pine woodland understory plant communities. We used regression trees to classify 232 longleaf pine woodland sites at three locations along the Atlantic coastal plainmore » based on relationships between understory plant community composition, soils lol(which broadly structure these communities), and factors associated with understory degradation, including fire frequency, agricultural history, and tree basal area. To understand the spatial generality of this model, we classified all sites together. and for each of three study locations separately. Both the regional and location-specific models produced quantifiable degradation gradients–i.e., progressive deviation from conditions at 38 reference sites, based on understory species composition, diversity and total cover, litter depth, and other attributes. Regionally, fire suppression was the most important degrading factor, followed by agricultural history, but at individual locations, agricultural history or tree basal area was most important. At one location, the influence of a degrading factor depended on soil attributes. We suggest that our regional model can help prioritize longleaf pine woodland restoration across our study region; however, due to substantial landscape-to-landscape variation, local management decisions should take into account additional factors (e.g., soil attributes). Our study demonstrates the utility of quantifying degraded states and provides a series of hypotheses for future experimental restoration work. More broadly, our work provides a framework for developing and evaluating reference models that incorporate multiple, interactive anthropogenic drivers of ecosystem degradation.« less

Molecular Interaction Map of the Mammalian Cell Cycle Control and DNA Repair Systems

PubMed Central

Kohn, Kurt W.

1999-01-01

Eventually to understand the integrated function of the cell cycle regulatory network, we must organize the known interactions in the form of a diagram, map, and/or database. A diagram convention was designed capable of unambiguous representation of networks containing multiprotein complexes, protein modifications, and enzymes that are substrates of other enzymes. To facilitate linkage to a database, each molecular species is symbolically represented only once in each diagram. Molecular species can be located on the map by means of indexed grid coordinates. Each interaction is referenced to an annotation list where pertinent information and references can be found. Parts of the network are grouped into functional subsystems. The map shows how multiprotein complexes could assemble and function at gene promoter sites and at sites of DNA damage. It also portrays the richness of connections between the p53-Mdm2 subsystem and other parts of the network. PMID:10436023

Photosynthetic performance of restored and natural mangroves under different environmental constraints.

PubMed

Rovai, André Scarlate; Barufi, José Bonomi; Pagliosa, Paulo Roberto; Scherner, Fernando; Torres, Moacir Aluísio; Horta, Paulo Antunes; Simonassi, José Carlos; Quadros, Daiane Paula Cunha; Borges, Daniel Lázaro Gallindo; Soriano-Sierra, Eduardo Juan

2013-10-01

We hypothesized that the photosynthetic performance of mangrove stands restored by the single planting of mangroves species would be lowered due to residual stressors. The photosynthetic parameters of the vegetation of three planted mangrove stands, each with a different disturbance history, were compared to reference sites and correlated with edaphic environmental variables. A permutational analysis of variance showed significant interaction when the factors were compared, indicating that the photosynthetic parameters of the restoration areas differed from the reference sites. A univariate analysis of variance showed that all the photosynthetic parameters differed between sites and treatments, except for photosynthetic efficiency (αETR). The combination of environmental variables that best explained the variations observed in the photosynthetic performance indicators were Cu, Pb and elevation disruptions. Fluorescence techniques proved efficient in revealing important physiological differences, representing a powerful tool for rapid analysis of the effectiveness of initiatives aimed at restoring coastal environments. Copyright © 2013 Elsevier Ltd. All rights reserved.

In silico development of new acetylcholinesterase inhibitors.

PubMed

Pascoini, A L; Federico, L B; Arêas, A L F; Verde, B A; Freitas, P G; Camps, I

2018-04-19

In this work, we made use of fragment-based drug design (FBDD) and de novo design to obtain more powerful acetylcholinesterase (AChE) inhibitors. AChE is associated with Alzheimer's disease (AD). It was found that the cholinergic pathways in the cerebral cortex are compromised in AD and the accompanying cholinergic deficiency contributes to the cognitive deterioration of AD patients. In the FBDD approach, fragments are docked into the active site of the protein. As fragments are molecular groups with a low number of atoms, it is possible to study their interaction with localized amino acids. Once the interactions are measured, the fragments are organized by affinity and then linked together to form new molecules with a high degree of interaction with the active site. In the other approach, we used the de novo design technique starting from reference drugs used in the AD treatment. These drugs were broken into fragments (seeds). In the growing strategy, fragments were added to each seed, growing new molecules. In the linking strategy, two or more separated seeds were linked with different fragments. Both strategies combined produced a library of more than 2 million compounds. This library was filtered using absorption, distribution, metabolism, and excretion properties. The resulting library with around six thousand compounds was filtered again. In this case, structures with Tanimoto coefficients >.85 were discarded. The final library with 1500 compounds was submitted to docking studies. As a result, 10 compounds with better interaction energy than the reference drugs were obtained.

Inhibition of tyrosinase by 4H-chromene analogs: Synthesis, kinetic studies, and computational analysis.

PubMed

Brasil, Edikarlos M; Canavieira, Luciana M; Cardoso, Érica T C; Silva, Edilene O; Lameira, Jerônimo; Nascimento, José L M; Eifler-Lima, Vera L; Macchi, Barbarella M; Sriram, Dharmarajan; Bernhardt, Paul V; Silva, José Rogério Araújo; Williams, Craig M; Alves, Cláudio N

2017-11-01

Inhibition of mushroom tyrosinase was observed with synthetic dihydropyrano[3,2-b]chromenediones. Among them, DHPC04 displayed the most potent tyrosinase inhibitory activity with a K i value of 4 μm, comparable to the reference standard inhibitor kojic acid. A kinetic study suggested that these synthetic heterocyclic compounds behave as competitive inhibitors for the L-DOPA binding site of the enzyme. Furthermore, molecular modeling provided important insight into the mechanism of binding interactions with the tyrosinase copper active site. © 2017 John Wiley & Sons A/S.

Acidity in DMSO from the embedded cluster integral equation quantum solvation model.

PubMed

Heil, Jochen; Tomazic, Daniel; Egbers, Simon; Kast, Stefan M

2014-04-01

The embedded cluster reference interaction site model (EC-RISM) is applied to the prediction of acidity constants of organic molecules in dimethyl sulfoxide (DMSO) solution. EC-RISM is based on a self-consistent treatment of the solute's electronic structure and the solvent's structure by coupling quantum-chemical calculations with three-dimensional (3D) RISM integral equation theory. We compare available DMSO force fields with reference calculations obtained using the polarizable continuum model (PCM). The results are evaluated statistically using two different approaches to eliminating the proton contribution: a linear regression model and an analysis of pK(a) shifts for compound pairs. Suitable levels of theory for the integral equation methodology are benchmarked. The results are further analyzed and illustrated by visualizing solvent site distribution functions and comparing them with an aqueous environment.

Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information.

PubMed

Bansal, Artee; Valiya Parambathu, Arjun; Asthagiri, D; Cox, Kenneth R; Chapman, Walter G

2017-04-28

We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [A. Bansal et al., J. Chem. Phys. 145, 074904 (2016)] that considered mixtures with all particles constrained to have the same size. The patchy, solvent particles have short-range directional interactions, while the solute particles have short-range isotropic interactions. The hard-sphere mixture without any association site forms the reference fluid. An important ingredient within the multi-body association theory is the description of clustering of the reference solvent around the reference solute. Here we account for the physical, multi-body clusters of the reference solvent around the reference solute in terms of occupancy statistics in a defined observation volume. These occupancy probabilities are obtained from enhanced sampling simulations, but we also present statistical mechanical models to estimate these probabilities with limited simulation data. Relative to an approach that describes only up to three-body correlations in the reference, incorporating the complete reference information better predicts the bonding state and thermodynamics of the physical solute for a wide range of system conditions. Importantly, analysis of the residual chemical potential of the infinitely dilute solute from molecular simulation and theory shows that whereas the chemical potential is somewhat insensitive to the description of the structure of the reference fluid, the energetic and entropic contributions are not, with the results from the complete reference approach being in better agreement with particle simulations.

Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information

NASA Astrophysics Data System (ADS)

Bansal, Artee; Valiya Parambathu, Arjun; Asthagiri, D.; Cox, Kenneth R.; Chapman, Walter G.

2017-04-01

We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [A. Bansal et al., J. Chem. Phys. 145, 074904 (2016)] that considered mixtures with all particles constrained to have the same size. The patchy, solvent particles have short-range directional interactions, while the solute particles have short-range isotropic interactions. The hard-sphere mixture without any association site forms the reference fluid. An important ingredient within the multi-body association theory is the description of clustering of the reference solvent around the reference solute. Here we account for the physical, multi-body clusters of the reference solvent around the reference solute in terms of occupancy statistics in a defined observation volume. These occupancy probabilities are obtained from enhanced sampling simulations, but we also present statistical mechanical models to estimate these probabilities with limited simulation data. Relative to an approach that describes only up to three-body correlations in the reference, incorporating the complete reference information better predicts the bonding state and thermodynamics of the physical solute for a wide range of system conditions. Importantly, analysis of the residual chemical potential of the infinitely dilute solute from molecular simulation and theory shows that whereas the chemical potential is somewhat insensitive to the description of the structure of the reference fluid, the energetic and entropic contributions are not, with the results from the complete reference approach being in better agreement with particle simulations.

microPIR2: a comprehensive database for human–mouse comparative study of microRNA–promoter interactions

PubMed Central

Piriyapongsa, Jittima; Bootchai, Chaiwat; Ngamphiw, Chumpol; Tongsima, Sissades

2014-01-01

microRNA (miRNA)–promoter interaction resource (microPIR) is a public database containing over 15 million predicted miRNA target sites located within human promoter sequences. These predicted targets are presented along with their related genomic and experimental data, making the microPIR database the most comprehensive repository of miRNA promoter target sites. Here, we describe major updates of the microPIR database including new target predictions in the mouse genome and revised human target predictions. The updated database (microPIR2) now provides ∼80 million human and 40 million mouse predicted target sites. In addition to being a reference database, microPIR2 is a tool for comparative analysis of target sites on the promoters of human–mouse orthologous genes. In particular, this new feature was designed to identify potential miRNA–promoter interactions conserved between species that could be stronger candidates for further experimental validation. We also incorporated additional supporting information to microPIR2 such as nuclear and cytoplasmic localization of miRNAs and miRNA–disease association. Extra search features were also implemented to enable various investigations of targets of interest. Database URL: http://www4a.biotec.or.th/micropir2 PMID:25425035

Structure-activity correlations for interactions of bicyclophosphorus esters and some polychlorocycloalkane and pyrethroid insecticides with the brain-specific t-butylbicyclophosphorothionate receptor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Casida, J.E.; Lawrence, L.J.

1985-09-01

(/sup 35/S)t-Butylbicyclophosphorothionate or (/sup 35/S)TBPS is an improved radioligand for the picrotoxinin binding site in rat brain synaptic membranes. The toxic isomers of the hexachlorocyclohexanes, polychlorobornanes, and chlorinated cyclodienes displace (/sup 35/S)TBPS with a stereospecificity and potency generally correlated with their mammalian toxicity. In a few cases this correlation is improved by correction for metabolic activation or detoxification on using a coupled brain receptor/liver microsomal oxidase system. The alpha-cyano-3-phenoxybenzyl pyrethroids, although less potent, inhibit (/sup 35/S)TBPS binding in a stereospecific manner correlated with their toxicity. Scatchard analyses indicate that these three classes of polychlorocycloalkane insecticides act at the TBPS bindingmore » site within the gamma-aminobutyric acid (GABA) receptor-ionophore complex whereas the alpha-cyano pyrethroids interact with a closely associated site. These insecticides and TBPS analogs may serve as useful probes further to elucidate the topography of the TBPS binding site and its relationship to the chloride channel. 46 references.« less

Trap-Nesting Hymenoptera and Their Network with Parasites in Recovered Riparian Forests Brazil.

PubMed

Araujo, G J; Fagundes, R; Antonini, Y

2018-02-01

Different aspects of human activities can cause environmental change that endanger species persistence, alter species distributions, and lead to changes in antagonistic and mutualistic interactions, whereas deforestation and flooding of riparian forest results in landscapes consisting of patchily distributed riparian forest fragments in a matrix of pastures, plantations, and urban areas. Therefore, we assessed the richness, abundance, and trophic interactions of trap-nesting Hymenoptera and their parasites at four patches of restored riparian forest and at one reference natural fragment, of different sizes and ages, located at the Volta Grande Reservoir, in Minas Gerais and São Paulo states to answer the following questions: (1) Does the richness and abundance of cavity-nesting bees and wasps differ in riparian forest fragments according to the seasonal periods? (2) Does the composition of cavity-nesting bees and wasps vary among restoration and reference sites and between climate seasons (wet and dry)? (3) How do the degrees of specialization of the parasites vary among the patches of forest? We recorded 12 species of wasps, eight of bees, and nine species of parasites. Areas with longer time since restoration (reference site) showed higher species richness. However, the abundance was higher in most recent areas. The composition of bee and wasp assembly has not significantly changed between the climate seasons, although it is different between sampling areas. The richness and abundance were higher in warmer and rainy periods. The rate of bee and wasp mortality was high. The degree of specialization of parasites varies among sampling units, and the network of host-parasite interaction has a modular configuration with generalists and specialists. We concluded that the restored areas with more complex habitat could provide better conditions for the reestablishment of ecological interactions among these insects, the local flora, and other invertebrates, which together contribute to the success of the restored environments.

3D RISM theory with fast reciprocal-space electrostatics.

PubMed

Heil, Jochen; Kast, Stefan M

2015-03-21

The calculation of electrostatic solute-solvent interactions in 3D RISM ("three-dimensional reference interaction site model") integral equation theory is recast in a form that allows for a computational treatment analogous to the "particle-mesh Ewald" formalism as used for molecular simulations. In addition, relations that connect 3D RISM correlation functions and interaction potentials with thermodynamic quantities such as the chemical potential and average solute-solvent interaction energy are reformulated in a way that calculations of expensive real-space electrostatic terms on the 3D grid are completely avoided. These methodical enhancements allow for both, a significant speedup particularly for large solute systems and a smoother convergence of predicted thermodynamic quantities with respect to box size, as illustrated for several benchmark systems.

Cases Study of Nonlinear Interaction Between Near-Inertial Waves Induced by Typhoon and Diurnal Tides Near the Xisha Islands

NASA Astrophysics Data System (ADS)

Liu, Junliang; He, Yinghui; Li, Juan; Cai, Shuqun; Wang, Dongxiao; Huang, Yandan

2018-04-01

Nonlinear interaction between near-inertial waves (NIWs) and diurnal tides (DTs) after nine typhoons near the Xisha Islands of the northwestern South China Sea (SCS) were investigated using three-year in situ mooring observation data. It was found that a harmonic wave (f + D1, hereafter referred to as fD1 wave), with a frequency equal to the sum of frequencies of NIWs and DTs (hereafter referred to as f and D1, respectively), was generated via nonlinear interaction between typhoon-induced NIWs and DTs after each typhoon. The fD1 wave mainly concentrates in the subsurface layer, and is mainly induced by the first component of the vertical nonlinear momentum term, the product of the vertical velocity of DT and vertical shear of near-inertial current (hereafter referred to as Component 1), in which the vertical shear of the near-inertial current greatly affects the strength of the fD1 current. The larger the Component 1, the stronger the fD1 currents. The background preexisting mesoscale anticyclonic eddy near the mooring site may also enhance the vertical velocity of DT and thus Component 1, which subsequently facilitates the nonlinear interaction-induced energy transfer to the fD1 wave and enhances the fD1 currents after the passage of a typhoon.

Macromolecular Competition Titration Method: Accessing Thermodynamics of the Unmodified Macromolecule–Ligand Interactions Through Spectroscopic Titrations of Fluorescent Analogs

PubMed Central

Bujalowski, Wlodzimierz; Jezewska, Maria J.

2011-01-01

Analysis of thermodynamically rigorous binding isotherms provides fundamental information about the energetics of the ligand–macromolecule interactions and often an invaluable insight about the structure of the formed complexes. The Macromolecular Competition Titration (MCT) method enables one to quantitatively obtain interaction parameters of protein–nucleic acid interactions, which may not be available by other methods, particularly for the unmodified long polymer lattices and specific nucleic acid substrates, if the binding is not accompanied by adequate spectroscopic signal changes. The method can be applied using different fluorescent nucleic acids or fluorophores, although the etheno-derivatives of nucleic acid are especially suitable as they are relatively easy to prepare, have significant blue fluorescence, their excitation band lies far from the protein absorption spectrum, and the modification eliminates the possibility of base pairing with other nucleic acids. The MCT method is not limited to the specific size of the reference nucleic acid. Particularly, a simple analysis of the competition titration experiments is described in which the fluorescent, short fragment of nucleic acid, spanning the exact site-size of the protein–nucleic acid complex, and binding with only a 1:1 stoichiometry to the protein, is used as a reference macromolecule. Although the MCT method is predominantly discussed as applied to studying protein–nucleic acid interactions, it can generally be applied to any ligand–macromolecule system by monitoring the association reaction using the spectroscopic signal originating from the reference macromolecule in the presence of the competing macromolecule, whose interaction parameters with the ligand are to be determined. PMID:21195223

How Mg2+ ion and water network affect the stability and structure of non-Watson-Crick base pairs in E. coli loop E of 5S rRNA: a molecular dynamics and reference interaction site model (RISM) study.

PubMed

Shanker, Sudhanshu; Bandyopadhyay, Pradipta

2017-08-01

The non-Watson-Crick (non-WC) base pairs of Escherichia coli loop E of 5S rRNA are stabilized by Mg 2+ ions through water-mediated interaction. It is important to know the synergic role of Mg 2+ and the water network surrounding Mg 2+ in stabilizing the non-WC base pairs of RNA. For this purpose, free energy change of the system is calculated using molecular dynamics (MD) simulation as Mg 2+ is pulled from RNA, which causes disturbance of the water network. It was found that Mg 2+ remains hexahydrated unless it is close to or far from RNA. In the pentahydrated form, Mg 2+ interacts directly with RNA. Water network has been identified by two complimentary methods; MD followed by a density-based clustering algorithm and three-dimensional-reference interaction site model. These two methods gave similar results. Identification of water network around Mg 2+ and non-WC base pairs gives a clue to the strong effect of water network on the stability of this RNA. Based on sequence analysis of all Eubacteria 5s rRNA, we propose that hexahydrated Mg 2+ is an integral part of this RNA and geometry of base pairs surrounding it adjust to accommodate the [Formula: see text]. Overall the findings from this work can help in understanding the basis of the complex structure and stability of RNA with non-WC base pairs.

Evaluating the adequacy of a reference site pool for ecological assessments in environmentally complex regions

USGS Publications Warehouse

Ode, Peter R.; Rehn, Andrew C.; Mazor, Raphael D.; Schiff, Kenneth C.; Stein, Eric D.; May, Jason; Brown, Larry R.; Herbst, David B.; Gillette, D.D.; Lunde, Kevin; Hawkins, Charles P.

2016-01-01

Many advances in the field of bioassessment have focused on approaches for objectively selecting the pool of reference sites used to establish expectations for healthy waterbodies, but little emphasis has been placed on ways to evaluate the suitability of the reference-site pool for its intended applications (e.g., compliance assessment vs ambient monitoring). These evaluations are critical because an inadequately evaluated reference pool may bias assessments in some settings. We present an approach for evaluating the adequacy of a reference-site pool for supporting biotic-index development in environmentally heterogeneous and pervasively altered regions. We followed common approaches for selecting sites with low levels of anthropogenic stress to screen 1985 candidate stream reaches to create a pool of 590 reference sites for assessing the biological integrity of streams in California, USA. We assessed the resulting pool of reference sites against 2 performance criteria. First, we evaluated how well the reference-site pool represented the range of natural gradients present in the entire population of streams as estimated by sites sampled through probabilistic surveys. Second, we evaluated the degree to which we were successful in rejecting sites influenced by anthropogenic stress by comparing biological metric scores at reference sites with the most vs fewest potential sources of stress. Using this approach, we established a reference-site pool with low levels of human-associated stress and broad coverage of environmental heterogeneity. This approach should be widely applicable and customizable to particular regional or programmatic needs.

Establishing physico-chemical reference conditions in Mediterranean streams according to the European Water Framework Directive.

PubMed

Sánchez-Montoya, María del Mar; Arce, Maria Isabel; Vidal-Abarca, María Rosario; Suárez, María Luisa; Prat, Narcís; Gómez, Rosa

2012-05-01

Type-specific physico-chemical reference conditions are required for the assessment of ecological status in the Water Framework Directive context, similarly to the biological and hydro-morphological elements. This directive emphasises that natural variability of quality elements in high status (reference condition) needs to be quantified. Mediterranean streams often present a marked seasonal pattern in hydrological, biological and geochemical processes which could affect physico-chemical reference conditions. This study establishes general physico-chemical reference conditions (oxygenation, nutrient, salinity and acidification conditions) for different Mediterranean stream types. 116 potential reference sites located in 23 Mediterranean catchments in Spain were sampled in spring, summer and autumn in 2003. All sites were subjected to a screening method for the selection of reference sites in Mediterranean streams (Mediterranean Reference Criteria) and classified using a pre-established stream typology that establishes five different stream types (temporary streams, evaporite-calcareous at medium altitude, siliceous headwaters, calcareous headwaters and large watercourses). Reference conditions (reference value and reference threshold equivalents to high-good class boundary) were calculated using two different methods according to the availability of reference sites: the reference site 75th percentile approach of all reference sites and the 25th percentile of the population approach. The majority of the studied potential reference sites (76 out of 116) were selected as reference sites. Regarding type-specific reference conditions, only siliceous headwaters could be considered different from the rest of stream types because lower conductivity and pH. All reference stream types presented seasonal differences as regards some parameters, except for temporary streams due to the high natural variation of this stream type. For those parameters which presented seasonal differences in a specific stream type, the least restrictive values were proposed as reference conditions. Copyright © 2012 Elsevier Ltd. All rights reserved.

Utah Bat Conservation Plan, 2008-2013

DTIC Science & Technology

2008-06-01

strikes and electrocutions ( APLIC 1994, APLIC 1996), this guidance is intended to assist the wind energy industry in avoiding or minimizing impacts to...Director’s September 14, 2000 memorandum, attachment 3, APLIC 1996, and APLIC 1994). 4) Priority should be given to siting turbines on tame, planted...for wind turbines. References: Avian Power Line Interaction Committee ( APLIC ). 1994. Mitigating bird collisions with power lines: The state of

Recruiting Human Microbiome Shotgun Data to Site-Specific Reference Genomes

PubMed Central

Xie, Gary; Lo, Chien-Chi; Scholz, Matthew; Chain, Patrick S. G.

2014-01-01

The human body consists of innumerable multifaceted environments that predispose colonization by a number of distinct microbial communities, which play fundamental roles in human health and disease. In addition to community surveys and shotgun metagenomes that seek to explore the composition and diversity of these microbiomes, there are significant efforts to sequence reference microbial genomes from many body sites of healthy adults. To illustrate the utility of reference genomes when studying more complex metagenomes, we present a reference-based analysis of sequence reads generated from 55 shotgun metagenomes, selected from 5 major body sites, including 16 sub-sites. Interestingly, between 13% and 92% (62.3% average) of these shotgun reads were aligned to a then-complete list of 2780 reference genomes, including 1583 references for the human microbiome. However, no reference genome was universally found in all body sites. For any given metagenome, the body site-specific reference genomes, derived from the same body site as the sample, accounted for an average of 58.8% of the mapped reads. While different body sites did differ in abundant genera, proximal or symmetrical body sites were found to be most similar to one another. The extent of variation observed, both between individuals sampled within the same microenvironment, or at the same site within the same individual over time, calls into question comparative studies across individuals even if sampled at the same body site. This study illustrates the high utility of reference genomes and the need for further site-specific reference microbial genome sequencing, even within the already well-sampled human microbiome. PMID:24454771

A Global Survey and Interactive Map Suite of Deep Underground Facilities; Examples of Geotechnical and Engineering Capabilities, Achievements, Challenges: (Mines, Shafts, Tunnels, Boreholes, Sites and Underground Facilities for Nuclear Waste and Physics R&D)

NASA Astrophysics Data System (ADS)

Tynan, M. C.; Russell, G. P.; Perry, F.; Kelley, R.; Champenois, S. T.

2017-12-01

This global survey presents a synthesis of some notable geotechnical and engineering information reflected in four interactive layer maps for selected: 1) deep mines and shafts; 2) existing, considered or planned radioactive waste management deep underground studies, sites, or disposal facilities; 3) deep large diameter boreholes, and 4) physics underground laboratories and facilities from around the world. These data are intended to facilitate user access to basic information and references regarding deep underground "facilities", history, activities, and plans. In general, the interactive maps and database [http://gis.inl.gov/globalsites/] provide each facility's approximate site location, geology, and engineered features (e.g.: access, geometry, depth, diameter, year of operations, groundwater, lithology, host unit name and age, basin; operator, management organization, geographic data, nearby cultural features, other). Although the survey is not all encompassing, it is a comprehensive review of many of the significant existing and historical underground facilities discussed in the literature addressing radioactive waste management and deep mined geologic disposal safety systems. The global survey is intended to support and to inform: 1) interested parties and decision makers; 2) radioactive waste disposal and siting option evaluations, and 3) safety case development as a communication tool applicable to any mined geologic disposal facility as a demonstration of historical and current engineering and geotechnical capabilities available for use in deep underground facility siting, planning, construction, operations and monitoring.

Coupling GIS and multivariate approaches to reference site selection for wadeable stream monitoring.

PubMed

Collier, Kevin J; Haigh, Andy; Kelly, Johlene

2007-04-01

Geographic Information System (GIS) was used to identify potential reference sites for wadeable stream monitoring, and multivariate analyses were applied to test whether invertebrate communities reflected a priori spatial and stream type classifications. We identified potential reference sites in segments with unmodified vegetation cover adjacent to the stream and in >85% of the upstream catchment. We then used various landcover, amenity and environmental impact databases to eliminate sites that had potential anthropogenic influences upstream and that fell into a range of access classes. Each site identified by this process was coded by four dominant stream classes and seven zones, and 119 candidate sites were randomly selected for follow-up assessment. This process yielded 16 sites conforming to reference site criteria using a conditional-probabilistic design, and these were augmented by an additional 14 existing or special interest reference sites. Non-metric multidimensional scaling (NMS) analysis of percent abundance invertebrate data indicated significant differences in community composition among some of the zones and stream classes identified a priori providing qualified support for this framework in reference site selection. NMS analysis of a range standardised condition and diversity metrics derived from the invertebrate data indicated a core set of 26 closely related sites, and four outliers that were considered atypical of reference site conditions and subsequently dropped from the network. Use of GIS linked to stream typology, available spatial databases and aerial photography greatly enhanced the objectivity and efficiency of reference site selection. The multi-metric ordination approach reduced variability among stream types and bias associated with non-random site selection, and provided an effective way to identify representative reference sites.

The SO(3)×SO(3)×U(1) Hubbard model on a square lattice in terms of c and αν fermions and deconfined η-spinons and spinons

NASA Astrophysics Data System (ADS)

Carmelo, J. M. P.

2012-03-01

In this paper, a general description for the Hubbard model with nearest-neighbor transfer integral t and on-site repulsion U on a square lattice with Na2≫1 sites is introduced. It refers to three types of elementary objects whose occupancy configurations generate the state representations of the model extended global SO(3)×SO(3)×U(1) symmetry recently found in Ref. [11] (Carmelo and Östlund, 2010). Such objects emerge from a suitable electron-rotated-electron unitary transformation. It is such that rotated-electron single and double occupancy are good quantum numbers for U≠0. The advantage of the description is that it accounts for the new found hidden U(1) symmetry in SO(3)×SO(3)×U(1)=[SU(2)×SU(2)×U(1)]/Z22 beyond the well-known SO(4)=[SU(2)×SU(2)]/Z2 model (partial) global symmetry. Specifically, the hidden U(1) symmetry state representations store full information on the positions of the spins of the rotated-electron singly occupied sites relative to the remaining sites. Profiting from that complementary information, for the whole U/4t>0 interaction range independent spin state representations are naturally generated in terms of spin-1/2 spinon occupancy configurations in a spin effective lattice. For all states, such an effective lattice has as many sites as spinons. This allows the extension to intermediate U/4t values of the usual large-U/4t descriptions of the spin degrees of freedom of the electrons that singly occupy sites, now in terms of the spins of the singly-occupied sites rotated electrons. The operator description introduced in this paper brings about a more suitable scenario for handling the effects of hole doping. Within this, such effects are accounted for in terms of the residual interactions of the elementary objects whose occupancy configurations generate the state representations of the charge hidden U(1) symmetry and spin SU(2) symmetry, respectively. This problem is investigated elsewhere. The most interesting physical information revealed by the description refers to the model on the subspace generated by the application of one- and two-electron operators onto zero-magnetization ground states. (This is the square-lattice quantum liquid further studied in Ref. [5] (Carmelo, 2010).) However, to access such an information, one must start from the general description introduced in this paper, which refers to the model in the full Hilbert space.

Satellite Contamination and Materials Outgassing Knowledgebase - An Interactive Database Reference

NASA Technical Reports Server (NTRS)

Green, D. B.; Burns, Dewitt (Technical Monitor)

2001-01-01

The goal of this program is to collect at one site much of the knowledge accumulated about the outgassing properties of aerospace materials based on ground testing, the effects of this outgassing observed on spacecraft in flight, and the broader contamination environment measured by instruments on-orbit. We believe that this Web site will help move contamination a step forward, away from anecdotal folklore toward engineering discipline. Our hope is that once operational, this site will form a nucleus for information exchange, that users will not only take information from our knowledge base, but also provide new information from ground testing and space missions, expanding and increasing the value of this site to all. We urge Government and industry users to endorse this approach that will reduce redundant testing, reduce unnecessary delays, permit uniform comparisons, and permit informed decisions.

Partial Coordination Numbers in Binary Metallic Glasses (Postprint)

DTIC Science & Technology

2011-12-07

structural differences related to relative atom size and quench rate. The magnitude of chemical interactions between the atoms, eij, might also influence...vious calculations.[2] A statistical approach is used to develop the Zij equations from the product of four terms: (1) the number of reference sites...within experimental scatter. The development of equations for Zij from the ECP model uses a statistical view of topology, and the Zij values

Engaging Participation and Promoting Active Learning through Student Usage of the Internet to Create Notes for General Chemistry in Class

ERIC Educational Resources Information Center

Henry, Renee Monica

2017-01-01

Reported here is a study of an interactive component to General Chemistry I and General Chemistry II where a new pedagogy for taking notes in class was developed. These notes, called key word created class notes, prompted students to locate information using the Internet guided by a key word. Reference Web sites were added to a next generation of…

Reduced growth and survival of larval razorback sucker fed selenium-laden zooplankton

USGS Publications Warehouse

Hamilton, Steven J.; Buhl, Kevin J.; Bullard, Fern A.; McDonald, Susan

2005-01-01

Four groups of larval razorback sucker, an endangered fish, were exposed to selenium-laden zooplankton and survival, growth, and whole-body residues were measured. Studies were conducted with 5, 10, 24, and 28-day-old larvae fed zooplankton collected from six sites adjacent to the Green River, Utah. Water where zooplankton were collected had selenium concentrations ranging from <0.4 to 78 μg/L, and concentrations in zooplankton ranged from 2.3 to 91 μg/g dry weight. Static renewal tests were conducted for 20 to 25 days using reference water with selenium concentrations of <1.1 μg/L. In all studies, 80–100% mortality occurred in 15–20 days. In the 28-day-old larvae, fish weight was significantly reduced 25% in larvae fed zooplankton containing 12 μg/g selenium. Whole-body concentrations of selenium ranged from 3.7 to 14.3 μg/g in fish fed zooplankton from the reference site (Sheppard Bottom pond 1) up to 94 μg/g in fish fed zooplankton from North Roadside Pond. Limited information prior to the studies suggested that the Sheppard pond 1 site was relatively clean and suitable as a reference treatment; however, the nearly complete mortality of larvae and elevated concentrations of selenium in larvae and selenium and other elements in zooplankton indicated that this site was contaminated with selenium and other elements. Selenium concentrations in whole-body larvae and in zooplankton from all sites were close to or greater than toxic thresholds where adverse effects occur in fish. Delayed mortality occurred in larvae fed the two highest selenium concentrations in zooplankton and was thought due to an interaction with other elements.

phiGENOME: an integrative navigation throughout bacteriophage genomes.

PubMed

Stano, Matej; Klucar, Lubos

2011-11-01

phiGENOME is a web-based genome browser generating dynamic and interactive graphical representation of phage genomes stored in the phiSITE, database of gene regulation in bacteriophages. phiGENOME is an integral part of the phiSITE web portal (http://www.phisite.org/phigenome) and it was optimised for visualisation of phage genomes with the emphasis on the gene regulatory elements. phiGENOME consists of three components: (i) genome map viewer built using Adobe Flash technology, providing dynamic and interactive graphical display of phage genomes; (ii) sequence browser based on precisely formatted HTML tags, providing detailed exploration of genome features on the sequence level and (iii) regulation illustrator, based on Scalable Vector Graphics (SVG) and designed for graphical representation of gene regulations. Bringing 542 complete genome sequences accompanied with their rich annotations and references, makes phiGENOME a unique information resource in the field of phage genomics. Copyright © 2011 Elsevier Inc. All rights reserved.

Potential Role of Land Use and Land Cover Information in Powerplant Siting: Example of Three Mile Island

NASA Technical Reports Server (NTRS)

Wray, J. R.

1982-01-01

Selecting a site for a nuclear powerplant can be helped by digitizing land use and land cover data, population data, and other pertinent data sets, and then placing them in a geographic information system. Such a system begins with a set of standardized maps for location reference and then provides for retrieval and analysis of spatial data keyed to the maps. This makes possible thematic mapping by computer, or interactive visual display for decisionmaking. It also permits correlating land use area measurements with census and other data (such as fallout dosages), and the updating of all data sets. The system is thus a tool for dealing with resource management problems and for analyzing the interaction between people and their environment. An explanation of a computer-plotted map of land use and cover for Three Mile Island and vicinity is given.

A Method for Evaluating Outcomes of Restoration When No Reference Sites Exist

Treesearch

J. Stephen Brewer; Timothy Menzel

2009-01-01

Ecological restoration typically seeks to shift species composition toward that of existing reference sites. Yet, comparing the assemblages in restored and reference habitats assumes that similarity to the reference habitat is the optimal outcome of restoration and does not provide a perspective on regionally rare off-site species. When no such reference assemblages of...

The SKI repository performance assessment project Site-94

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andersson, J.; Dverstorp, B.; Sjoeblom, R.

1995-12-01

SITE-94 is a research project conducted as a performance assessment of a hypothetical repository for spent nuclear fuel, but with real pre-excavation data from a real site. The geosphere, the engineered barriers and the processes for radionuclide release and transport comprise an integrated interdependent system, which is described by an influence diagram (PID) that reflects how different Features, Events or Processes (FEPs) inside the system interact. Site evaluation is used to determine information of transport paths in the geosphere and to deliver information on geosphere interaction with the engineered barriers. A three-dimensional geological structure model of the site as wellmore » as alternative conceptual models consistent with the existing hydrological field data, have been analyzed. Groundwater chemistry is evaluated and a model, fairly consistent with the flow model, for the origin of the different waters has been developed. The geological structure model is also used for analyzing the mechanical stability of the site. Several phenomena of relevance for copper corrosion in a repository environment have been investigated. For Reference Case conditions and regardless of flow variability, output is dominated by I-129, which, for a single canister, may give rise to drinking water well doses in the order of 10{sup -6}Sv/yr. Finally, it appears that the procedures involved in the development of influence diagrams may be a promising tool for quality assurance of performance assessments.« less

Effects of zinc and female aging on nymphal life history in a grasshopper from polluted sites.

PubMed

Augustyniak, Maria; Babczyńska, Agnieszka; Kozłowski, Michał; Sawczyn, Tomasz; Augustyniak, Michał

2008-01-01

Insect reproduction is influenced by various factors, including food quality and quantity, temperature, population density and female age. Contamination, including heavy metals, may disturb reproductive processes. The aim of this work was to assess interactions between effects of aging in female Chorthippus brunneus and environmental pollution on their reproduction measured in number of laid eggs. We also compared basic developmental parameters (number of hatchlings, body mass, embryonic developmental rate) in grasshopper nymphs additionally exposed to zinc during diapause. Aging grasshoppers from heavily polluted areas (Olkusz and Szopienice) lay significantly fewer eggs than insects from the reference site (Pilica). Zinc application caused the decrease in hatching success and duration of embryogenesis in insects from each site. This suggests a cumulative effect of female age, pollutants and additional stressing factors. The intensity of this process differed between populations. In insects from the reference site, it was shown in a moderate degree. In insects from Szopienice, an additional stressor exerted a weaker effect than in insects from Pilica. In grasshoppers from Olkusz, we found the strongest decrease of hatching percentage and increase in duration of embryogenesis after zinc intoxication. This may indicate that the population from Olkusz exists at the limit of its energetic abilities.

Characterization of epitope specificities of reference antibodies used for the quantification of the birch pollen allergen Bet v 1.

PubMed

Brier, S; Le Mignon, M; Jain, K; Lebrun, C; Peurois, F; Kellenberger, C; Bordas-Le Floch, V; Mascarell, L; Nony, E; Moingeon, P

2018-05-01

Accurate allergen quantification is needed to document the consistency of allergen extracts used for immunotherapy. Herein, we characterize the epitope specificities of two monoclonal antibodies used in an ELISA for the quantification of the major birch pollen allergen Bet v 1, established as a reference by the BSP090 European project. The ability of mAbs 5B4 and 6H4 to recognize Bet v 1 isoforms was addressed by immunochromatography. The capacity of each mAb to compete with patients' IgE for binding to Bet v 1 was measured by ELISA inhibition. Epitope mapping was performed by pepscan analysis, site-directed mutagenesis, and hydrogen/deuterium exchange-mass spectrometry. The 5B4 epitope corresponds to a peptide sequence (I56-K68) overlapping with the binding sites of patients' serum IgEs. Mutation of residues P59, E60, and K65 abolishes 5B4 binding to Bet v 1 and reduces the level of IgE recognition. In contrast, 6H4 recognizes a conformational epitope lying opposite to the 5B4 binding site, involving residues located in segments I44-K55 and R70-F79. Substitution of E45 reduces the binding capacity of 6H4, confirming that it is critical for the interaction. Both mAbs interact with >90% of Bet v 1 content present in the birch pollen extract, while displaying a weak cross-reactivity with other allergens of the PR-10 family. MAbs 5B4 and 6H4 recognize structurally distinct epitopes present in the vast majority of Bet v 1 isoforms. These results support the relevance as a reference method of the Bet v 1-specific quantitative ELISA adopted by the European Pharmacopoeia. © 2017 EAACI and John Wiley and Sons A/S. Published by John Wiley and Sons Ltd.

The influence of precipitation, vegetation and soil properties on the ecohydrology of sagebrush steppe rangelands on the INL site

USGS Publications Warehouse

Germino, Matthew J.

2013-01-01

The INL Site and other landscapes having sagebrush steppe vegetation are experiencing a simultaneous change in climate and floristics that result from increases in exotic species. Determining the separate and combined/interactive effects of climate and vegetation change is important for assessing future changes on the landscape and for hydrologic processes. This research uses the 72 experimental plots established and initially maintained for many years as the “Protective Cap Biobarrier Experiment” by Dr. Jay Anderson and the Stoller ESER program, and the experiment is also now referred to as the “INL Site Ecohydrology Study.” We are evaluating long-term impacts of different plant communities commonly found throughout Idaho subject to different precipitation regimes and to different soil depths. Treatments of amount and timing of precipitation (irrigation), soil depth, and either native/perennial or exotic grass vegetation allow researchers to investigate how vegetation, precipitation and soil interact to influence soil hydrology and ecosystem biogeochemistry. This information will be used to improve a variety of models, as well as provide data for these models.

Quantum mechanics study of the hydroxyethylamines-BACE-1 active site interaction energies

NASA Astrophysics Data System (ADS)

Gueto-Tettay, Carlos; Drosos, Juan Carlos; Vivas-Reyes, Ricardo

2011-06-01

The identification of BACE-1, a key enzyme in the production of Amyloid-β (Aβ) peptides, generated by the proteolytic processing of amyloid precursor protein, was a major advance in the field of Alzheimer's disease as this pathology is characterized by the presence of extracellular senile plaques, mainly comprised of Aβ peptides. Hydroxyethylamines have demonstrated a remarkable potential, like candidate drugs, for this disease using BACE-1 as target. Density Functional Theory calculations were employed to estimate interaction energies for the complexes formed between the hydroxyethylamine derivated inhibitors and 24 residues in the BACE-1 active site. The collected data offered not only a general but a particular quantitative description that gives a deep insight of the interactions in the active site, showing at the same time how ligand structural variations affect them. Polar interactions are the major energetic contributors for complex stabilization and those ones with charged aspartate residues are highlighted, as they contribute over 90% of the total attractive interaction energy. Ligand-ARG296 residue interaction reports the most repulsive value and decreasing of the magnitude of this repulsion can be a key feature for the design of novel and more potent BACE-1 inhibitors. Also it was explained why sultam derivated BACE-1 inhibitors are better ones than lactam based. Hydrophobic interactions concentrated at S1 zone and other relevant repulsions and attractions were also evaluated. The comparison of two different theory levels (X3LYP and M062X) allowed to confirm the relevance of the detected interactions as each theory level has its own strength to depict the forces involved, as is the case of M062X which is better describing the hydrophobic interactions. Those facts were also evaluated and confirmed by comparing the quantitative trend, of selected ligand-residue interactions, with MP2 theory level as reference standard method for electrostatic plus dispersion energies.

Quantum mechanics study of the hydroxyethylamines-BACE-1 active site interaction energies.

PubMed

Gueto-Tettay, Carlos; Drosos, Juan Carlos; Vivas-Reyes, Ricardo

2011-06-01

The identification of BACE-1, a key enzyme in the production of Amyloid-β (Aβ) peptides, generated by the proteolytic processing of amyloid precursor protein, was a major advance in the field of Alzheimer's disease as this pathology is characterized by the presence of extracellular senile plaques, mainly comprised of Aβ peptides. Hydroxyethylamines have demonstrated a remarkable potential, like candidate drugs, for this disease using BACE-1 as target. Density Functional Theory calculations were employed to estimate interaction energies for the complexes formed between the hydroxyethylamine derivated inhibitors and 24 residues in the BACE-1 active site. The collected data offered not only a general but a particular quantitative description that gives a deep insight of the interactions in the active site, showing at the same time how ligand structural variations affect them. Polar interactions are the major energetic contributors for complex stabilization and those ones with charged aspartate residues are highlighted, as they contribute over 90% of the total attractive interaction energy. Ligand-ARG296 residue interaction reports the most repulsive value and decreasing of the magnitude of this repulsion can be a key feature for the design of novel and more potent BACE-1 inhibitors. Also it was explained why sultam derivated BACE-1 inhibitors are better ones than lactam based. Hydrophobic interactions concentrated at S1 zone and other relevant repulsions and attractions were also evaluated. The comparison of two different theory levels (X3LYP and M062X) allowed to confirm the relevance of the detected interactions as each theory level has its own strength to depict the forces involved, as is the case of M062X which is better describing the hydrophobic interactions. Those facts were also evaluated and confirmed by comparing the quantitative trend, of selected ligand-residue interactions, with MP2 theory level as reference standard method for electrostatic plus dispersion energies.

Understanding Nucleic Acid–Ion Interactions

PubMed Central

Lipfert, Jan; Doniach, Sebastian; Das, Rhiju; Herschlag, Daniel

2015-01-01

Ions surround nucleic acids in what is referred to as an ion atmosphere. As a result, the folding and dynamics of RNA and DNA and their complexes with proteins and with each other cannot be understood without a reasonably sophisticated appreciation of these ions’ electrostatic interactions. However, the underlying behavior of the ion atmosphere follows physical rules that are distinct from the rules of site binding that biochemists are most familiar and comfortable with. The main goal of this review is to familiarize nucleic acid experimentalists with the physical concepts that underlie nucleic acid–ion interactions. Throughout, we provide practical strategies for interpreting and analyzing nucleic acid experiments that avoid pitfalls from oversimplified or incorrect models. We briefly review the status of theories that predict or simulate nucleic acid–ion interactions and experiments that test these theories. Finally, we describe opportunities for going beyond phenomenological fits to a next-generation, truly predictive understanding of nucleic acid–ion interactions. PMID:24606136

Defining the Reference Condition for Wadeable Streams in the Sand Hills Subdivision of the Southeastern Plains Ecoregion, USA

NASA Astrophysics Data System (ADS)

Kosnicki, Ely; Sefick, Stephen A.; Paller, Michael H.; Jarrell, Miller S.; Prusha, Blair A.; Sterrett, Sean C.; Tuberville, Tracey D.; Feminella, Jack W.

2014-09-01

The Sand Hills subdivision of the Southeastern Plains ecoregion has been impacted by historical land uses over the past two centuries and, with the additive effects of contemporary land use, determining reference condition for streams in this region is a challenge. We identified reference condition based on the combined use of 3 independent selection methods. Method 1 involved use of a multivariate disturbance gradient derived from several stressors, method 2 was based on variation in channel morphology, and method 3 was based on passing 6 of 7 environmental criteria. Sites selected as reference from all 3 methods were considered primary reference, whereas those selected by 2 or 1 methods were considered secondary or tertiary reference, respectively. Sites not selected by any of the methods were considered non-reference. In addition, best professional judgment (BPJ) was used to exclude some sites from any reference class, and comparisons were made to examine the utility of BPJ. Non-metric multidimensional scaling indicated that use of BPJ may help designate non-reference sites when unidentified stressors are present. The macroinvertebrate community measures Ephemeroptera, Plecoptera, Trichoptera richness and North Carolina Biotic Index showed no differences between primary and secondary reference sites when BPJ was ignored. However, there was no significant difference among primary, secondary, and tertiary reference sites when BPJ was used. We underscore the importance of classifying reference conditions, especially in regions that have endured significant anthropogenic activity. We suggest that the use of secondary reference sites may enable construction of models that target a broader set of management interests.

Decision support for the selection of reference sites using 137Cs as a soil erosion tracer

NASA Astrophysics Data System (ADS)

Arata, Laura; Meusburger, Katrin; Bürge, Alexandra; Zehringer, Markus; Ketterer, Michael E.; Mabit, Lionel; Alewell, Christine

2017-08-01

The classical approach of using 137Cs as a soil erosion tracer is based on the comparison between stable reference sites and sites affected by soil redistribution processes; it enables the derivation of soil erosion and deposition rates. The method is associated with potentially large sources of uncertainty with major parts of this uncertainty being associated with the selection of the reference sites. We propose a decision support tool to Check the Suitability of reference Sites (CheSS). Commonly, the variation among 137Cs inventories of spatial replicate reference samples is taken as the sole criterion to decide on the suitability of a reference inventory. Here we propose an extension of this procedure using a repeated sampling approach, in which the reference sites are resampled after a certain time period. Suitable reference sites are expected to present no significant temporal variation in their decay-corrected 137Cs depth profiles. Possible causes of variation are assessed by a decision tree. More specifically, the decision tree tests for (i) uncertainty connected to small-scale variability in 137Cs due to its heterogeneous initial fallout (such as in areas affected by the Chernobyl fallout), (ii) signs of erosion or deposition processes and (iii) artefacts due to the collection, preparation and measurement of the samples; (iv) finally, if none of the above can be assigned, this variation might be attributed to turbation processes (e.g. bioturbation, cryoturbation and mechanical turbation, such as avalanches or rockfalls). CheSS was exemplarily applied in one Swiss alpine valley where the apparent temporal variability called into question the suitability of the selected reference sites. In general we suggest the application of CheSS as a first step towards a comprehensible approach to test for the suitability of reference sites.

Coordinates and intervals in graph-based reference genomes.

PubMed

Rand, Knut D; Grytten, Ivar; Nederbragt, Alexander J; Storvik, Geir O; Glad, Ingrid K; Sandve, Geir K

2017-05-18

It has been proposed that future reference genomes should be graph structures in order to better represent the sequence diversity present in a species. However, there is currently no standard method to represent genomic intervals, such as the positions of genes or transcription factor binding sites, on graph-based reference genomes. We formalize offset-based coordinate systems on graph-based reference genomes and introduce methods for representing intervals on these reference structures. We show the advantage of our methods by representing genes on a graph-based representation of the newest assembly of the human genome (GRCh38) and its alternative loci for regions that are highly variable. More complex reference genomes, containing alternative loci, require methods to represent genomic data on these structures. Our proposed notation for genomic intervals makes it possible to fully utilize the alternative loci of the GRCh38 assembly and potential future graph-based reference genomes. We have made a Python package for representing such intervals on offset-based coordinate systems, available at https://github.com/uio-cels/offsetbasedgraph . An interactive web-tool using this Python package to visualize genes on a graph created from GRCh38 is available at https://github.com/uio-cels/genomicgraphcoords .

Solvation effects on chemical shifts by embedded cluster integral equation theory.

PubMed

Frach, Roland; Kast, Stefan M

2014-12-11

The accurate computational prediction of nuclear magnetic resonance (NMR) parameters like chemical shifts represents a challenge if the species studied is immersed in strongly polarizing environments such as water. Common approaches to treating a solvent in the form of, e.g., the polarizable continuum model (PCM) ignore strong directional interactions such as H-bonds to the solvent which can have substantial impact on magnetic shieldings. We here present a computational methodology that accounts for atomic-level solvent effects on NMR parameters by extending the embedded cluster reference interaction site model (EC-RISM) integral equation theory to the prediction of chemical shifts of N-methylacetamide (NMA) in aqueous solution. We examine the influence of various so-called closure approximations of the underlying three-dimensional RISM theory as well as the impact of basis set size and different treatment of electrostatic solute-solvent interactions. We find considerable and systematic improvement over reference PCM and gas phase calculations. A smaller basis set in combination with a simple point charge model already yields good performance which can be further improved by employing exact electrostatic quantum-mechanical solute-solvent interaction energies. A larger basis set benefits more significantly from exact over point charge electrostatics, which can be related to differences of the solvent's charge distribution.

Models for the mechanism for activating copper-zinc superoxide dismutase in the absence of the CCS Cu chaperone in Arabidopsis.

PubMed

Huang, Chien-Hsun; Kuo, Wen-Yu; Jinn, Tsung-Luo

2012-03-01

Copper-zinc superoxide dismutase (CuZnSOD; CSD) is an important antioxidant enzyme for oxidative stress protection. To date, two activation pathways have been identified in many species. One requiring the CCS, Cu chaperone for SOD, to insert Cu and activate CSD (referred to as CCS-dependent pathway), and the other works independently of CCS (referred to as CCS-independent pathway). In our previous study, we suggest an unidentified factor will work with glutathione (GSH) for CSD activation in the absence of the CCS. Here, two models of the CCS-independent mechanism are proposed. The role of the unidentified factor may work as a scaffold protein, which provides a platform for the CSD protein and Cu-GSH to interact, or as a Cu carrier, which itself can bind Cu and interact with CSD proteins. We also suggest that the CSD protein conformation at C-terminal is important in providing a docking site for unidentified factor to access.

The design and construction of an interactive website concerning biomedical photography.

PubMed

Williams, Robin; Williams, Gigi

2003-06-01

The purpose of this communication is to make readers aware of what the authors believe is an important online resource about medical and scientific photography for doctors, scientists and students. It is a website freely accessible and its URL is http://msp.rmit.edu.au. The site is designed as a resource base: it is not meant to be a 'course' but the reader will find much practical information about technique and applications of scientific imaging methods. The site is currently a comprehensive collection of resources relating to invisible radiation photography but there are plans to expand the site to a range of clinical recording topics, and other potential contributors are asked to join the project. It contains a vast collection of photographs from many photographers as well as graphs, diagrams, tables and references. This paper also discusses some of the important issues surrounding the 'publication' of such a site such as currency and access versus credibility; technological obsolescence, site design and usage.

Fischer-Tropsch Cobalt Catalyst Improvements with the Presence of TiO2, La2O3, and ZrO2 on an Alumina Support

NASA Technical Reports Server (NTRS)

Klettlinger, Jennifer Lindsey Suder

2012-01-01

The objective of this study was to evaluate the effect of titanium oxide, lanthanum oxide, and zirconium oxide on alumina supported cobalt catalysts. The hypothesis was that the presence of lanthanum oxide, titanium oxide, and zirconium oxide would reduce the interaction between cobalt and the alumina support. This was of interest because an optimized weakened interaction could lead to the most advantageous cobalt dispersion, particle size, and reducibility. The presence of these oxides on the support were investigated using a wide range of characterization techniques such as SEM, nitrogen adsorption, x-ray diffraction (XRD), temperature programmed reduction (TPR), temperature programmed reduction after reduction (TPR-AR), and hydrogen chemisorptions/pulse reoxidation. Results indicated that both La2O3 and TiO2 doped supports facilitated the reduction of cobalt oxide species in reference to pure alumina supported cobalt catalysts, however further investigation is needed to determine the effect of ZrO2 on the reduction profile. Results showed an increased corrected cluster size for all three doped supported catalysts in comparison to their reference catalysts. The increase in reduction and an increase in the cluster size led to the conclusion that the support-metal interaction weakened by the addition of TiO2 and La2O3. It is also likely that the interaction decreased upon presence of ZrO2 on the alumina, but further research is necessary. Preliminary results have indicated that the alumina-supported catalysts with titanium oxide and lanthanum oxide present are of interest because of the weakened cobalt support interaction. These catalysts showed an increased extent of reduction, therefore more metallic cobalt is present on the support. However, whether or not there is more cobalt available to participate in the Fischer-Tropsch synthesis reaction (cobalt surface atoms) depends also on the cluster size. On one hand, increasing cluster size alone tends to decrease the active site density; on the other hand, by increasing the size of the cobalt clusters, there is less likelihood of forming oxidized cobalt complexes (cobalt aluminate) during Fischer-Tropsch synthesis. Thus, from the standpoint of stability, improving the extent of reduction while increasing the particle size slightly may be beneficial for maintaining the sites, even if there is a slight decrease in overall initial active site density.

Comparison of lifestyle risk factors by family history for gastric, breast, lung and colorectal cancer.

PubMed

Huang, Xin-En; Hirose, Kaoru; Wakai, Kenji; Matsuo, Keitaro; Ito, Hidemi; Xiang, Jin; Takezaki, Toshiro; Tajima, Kazuo

2004-01-01

To assess the theoretical impact of lifestyle of a cancer family history in first-degree relatives (CFH) and clarify interactions between CFH and lifestyle factors, hospital-based comparison and case-reference studies were conducted in Nagoya, Japan. Totals of 1988 gastric, 2455 breast, 1398 lung and 1352 colorectal cancer patients, as well as 50,706 non-cancer outpatients collected from 1988 to 1998, were checked for lifestyle factors, which included dietary and physical exercise habits, as well as smoking/drinking status. General lifestyle factors with non-cancer outpatients did not differ by the CFH status. Case-reference analyses showed that frequent intake of fruits, raw vegetables, carrots, pumpkin, cabbage and lettuce, as well as frequent physical exercise, were associated with decreased risk for all four sites of cancer, while habitual smoking increasing the risk of gastric, and more particularly, lung cancer. Interestingly, the study revealed the magnitude of odds ratios for the above lifestyle factors obtained from CFH positives to be similar to those from CFH negatives for these four sites of cancer. There were no significant interactions between CFH and any particular lifestyle factor. In conclusion, our results suggest no appreciable influence of CFH on lifestyle related risk factors for gastric, breast, lung, and colorectal cancer. Habitual smoking increased, while frequent physical exercise and raw vegetables intake decreased cancer risk, regardless of the CFH status.

The pH-dependent Structures of the Manganese Binding Sites in Oxalate Decarboxylase as Revealed by High-Field Electron Paramagnetic Resonance

PubMed Central

Tabares, Leandro C.; Gätjens, Jessica; Hureau, Christelle; Burrell, Matthew R.; Bowater, Laura; Pecoraro, Vincent L.; Bornemann, Stephen; Un, Sun

2009-01-01

A high-field electron paramagnetic resonance (HFEPR) study of oxalate decarboxylase (OxdC) is reported. OxdC breaks down oxalate to carbon dioxide and formate and possesses two distinct manganese(II) binding sites, referred to as site-1 and -2. The Mn(II) zero-field interaction was used to probe the electronic state of the metal ion and to examine chemical/mechanistic roles of each of the Mn(II) centers. High magnetic-fields were exploited not only to resolve the two sites, but also to measure accurately the Mn(II) zero-field parameters of each of the sites. The spectra exhibited surprisingly complex behavior as a function of pH. Six different species were identified based on their zero-field interactions, two corresponding to site-1 and four states to site-2. The assignments were verified using a mutant that only affected site-1. The speciation data determined from the HFEPR spectra for site -2 was consistent with a simple triprotic equilibrium model, while the pH dependence of site-1 could be described by a single pKa. This pH dependence was independent of the presence of the His-tag and of whether the preparations contained 1.2 or 1.6 Mn per subunit. Possible structures of the six species are proposed based on spectroscopic data from model complexes and existing protein crystallographic structures obtained at pH 8 are discussed. Although site-1 has been identified as the active site and no role has been assigned to site-2, the pronounced changes in the electronic structure of the latter and its pH behavior, which also matches the pH-dependent activity of this enzyme, suggests that even if the conversion of oxalate to formate is carried out at site-1, site-2 likely plays a catalytically relevant role. PMID:19505123

σ-Hole Bond vs π-Hole Bond: A Comparison Based on Halogen Bond.

PubMed

Wang, Hui; Wang, Weizhou; Jin, Wei Jun

2016-05-11

The σ-hole and π-hole are the regions with positive surface electrostatic potential on the molecule entity; the former specifically refers to the positive region of a molecular entity along extension of the Y-Ge/P/Se/X covalent σ-bond (Y = electron-rich group; Ge/P/Se/X = Groups IV-VII), while the latter refers to the positive region in the direction perpendicular to the σ-framework of the molecular entity. The directional noncovalent interactions between the σ-hole or π-hole and the negative or electron-rich sites are named σ-hole bond or π-hole bond, respectively. The contributions from electrostatic, charge transfer, and other terms or Coulombic interaction to the σ-hole bond and π-hole bond were reviewed first followed by a brief discussion on the interplay between the σ-hole bond and the π-hole bond as well as application of the two types of noncovalent interactions in the field of anion recognition. It is expected that this review could stimulate further development of the σ-hole bond and π-hole bond in theoretical exploration and practical application in the future.

Towards label-free and site-specific probing of the local pH in proteins: pH-dependent deep UV Raman spectra of histidine and tyrosine

NASA Astrophysics Data System (ADS)

Bröermann, Andreas; Steinhoff, Heinz-Jürgen; Schlücker, Sebastian

2014-09-01

The site-specific pH is an experimental probe for assessing models of structural folding and function of a protein as well as protein-protein and protein-ligand interactions. It can be determined by various techniques such as NMR, FT-IR, fluorescence and EPR spectroscopy. The latter require the use of external labels, i.e., employ pH-dependent dyes and spin labels, respectively. In this contribution, we outline an approach to a label-free and site-specific method for determining the local pH using deep ultraviolet resonance Raman (UVRR) spectroscopic fingerprints of the aromatic amino acids histidine and tyrosine in combination with a robust algorithm that determines the pH value using three UVRR reference spectra and without prior knowledge of the pKa.

Exploring the role of water in molecular recognition: predicting protein ligandability using a combinatorial search of surface hydration sites.

PubMed

Vukovic, Sinisa; Brennan, Paul E; Huggins, David J

2016-09-01

The interaction between any two biological molecules must compete with their interaction with water molecules. This makes water the most important molecule in medicine, as it controls the interactions of every therapeutic with its target. A small molecule binding to a protein is able to recognize a unique binding site on a protein by displacing bound water molecules from specific hydration sites. Quantifying the interactions of these water molecules allows us to estimate the potential of the protein to bind a small molecule. This is referred to as ligandability. In the study, we describe a method to predict ligandability by performing a search of all possible combinations of hydration sites on protein surfaces. We predict ligandability as the summed binding free energy for each of the constituent hydration sites, computed using inhomogeneous fluid solvation theory. We compared the predicted ligandability with the maximum observed binding affinity for 20 proteins in the human bromodomain family. Based on this comparison, it was determined that effective inhibitors have been developed for the majority of bromodomains, in the range from 10 to 100 nM. However, we predict that more potent inhibitors can be developed for the bromodomains BPTF and BRD7 with relative ease, but that further efforts to develop inhibitors for ATAD2 will be extremely challenging. We have also made predictions for the 14 bromodomains with no reported small molecule K d values by isothermal titration calorimetry. The calculations predict that PBRM1(1) will be a challenging target, while others such as TAF1L(2), PBRM1(4) and TAF1(2), should be highly ligandable. As an outcome of this work, we assembled a database of experimental maximal K d that can serve as a community resource assisting medicinal chemistry efforts focused on BRDs. Effective prediction of ligandability would be a very useful tool in the drug discovery process.

Exploring the role of water in molecular recognition: predicting protein ligandability using a combinatorial search of surface hydration sites

NASA Astrophysics Data System (ADS)

Vukovic, Sinisa; Brennan, Paul E.; Huggins, David J.

2016-09-01

The interaction between any two biological molecules must compete with their interaction with water molecules. This makes water the most important molecule in medicine, as it controls the interactions of every therapeutic with its target. A small molecule binding to a protein is able to recognize a unique binding site on a protein by displacing bound water molecules from specific hydration sites. Quantifying the interactions of these water molecules allows us to estimate the potential of the protein to bind a small molecule. This is referred to as ligandability. In the study, we describe a method to predict ligandability by performing a search of all possible combinations of hydration sites on protein surfaces. We predict ligandability as the summed binding free energy for each of the constituent hydration sites, computed using inhomogeneous fluid solvation theory. We compared the predicted ligandability with the maximum observed binding affinity for 20 proteins in the human bromodomain family. Based on this comparison, it was determined that effective inhibitors have been developed for the majority of bromodomains, in the range from 10 to 100 nM. However, we predict that more potent inhibitors can be developed for the bromodomains BPTF and BRD7 with relative ease, but that further efforts to develop inhibitors for ATAD2 will be extremely challenging. We have also made predictions for the 14 bromodomains with no reported small molecule K d values by isothermal titration calorimetry. The calculations predict that PBRM1(1) will be a challenging target, while others such as TAF1L(2), PBRM1(4) and TAF1(2), should be highly ligandable. As an outcome of this work, we assembled a database of experimental maximal K d that can serve as a community resource assisting medicinal chemistry efforts focused on BRDs. Effective prediction of ligandability would be a very useful tool in the drug discovery process.

Supramolecular Interactions in Secondary Plant Cell Walls: Effect of Lignin Chemical Composition Revealed with the Molecular Theory of Solvation.

PubMed

Silveira, Rodrigo L; Stoyanov, Stanislav R; Gusarov, Sergey; Skaf, Munir S; Kovalenko, Andriy

2015-01-02

Plant biomass recalcitrance, a major obstacle to achieving sustainable production of second generation biofuels, arises mainly from the amorphous cell-wall matrix containing lignin and hemicellulose assembled into a complex supramolecular network that coats the cellulose fibrils. We employed the statistical-mechanical, 3D reference interaction site model with the Kovalenko-Hirata closure approximation (or 3D-RISM-KH molecular theory of solvation) to reveal the supramolecular interactions in this network and provide molecular-level insight into the effective lignin-lignin and lignin-hemicellulose thermodynamic interactions. We found that such interactions are hydrophobic and entropy-driven, and arise from the expelling of water from the mutual interaction surfaces. The molecular origin of these interactions is carbohydrate-π and π-π stacking forces, whose strengths are dependent on the lignin chemical composition. Methoxy substituents in the phenyl groups of lignin promote substantial entropic stabilization of the ligno-hemicellulosic matrix. Our results provide a detailed molecular view of the fundamental interactions within the secondary plant cell walls that lead to recalcitrance.

Meeting Reference Responsibilities through Library Web Sites.

ERIC Educational Resources Information Center

Adams, Michael

2001-01-01

Discusses library Web sites and explains some of the benefits when libraries make their sites into reference portals, linking them to other useful Web sites. Topics include print versus Web information sources; limitations of search engines; what Web sites to include, including criteria for inclusions; and organizing the sites. (LRW)

Functionality of resistance gene Hero, which controls plant root-infecting potato cyst nematodes, in leaves of tomato.

PubMed

Poch, H L Cabrera; López, R H Manzanilla; Kanyuka, K

2006-07-01

The expression of host genomes is modified locally by root endoparasitic nematode secretions to induce the development of complex cellular structures referred as feeding sites. In compatible interactions, the feeding sites provide the environment and nutrients for the completion of the nematode's life cycle, whereas in an incompatible (resistant) interaction, the host immune system triggers a plant cell death programme, often in the form of a hypersensitive reaction, which restricts nematode reproduction. These processes have been studied in great detail in organ tissues normally infected by these nematodes: the roots. Here we show that host leaves can support a similar set of programmed developmental events in the potato cyst nematode Globodera rostochiensis life cycle that are typical of the root-invading nematodes. We also show that a gene-for-gene type specific disease resistance that is effective against potato cyst nematodes (PCN) in roots also operates in leaves: the expression of the resistance (R) gene Hero and members of its gene family in leaves correlates with the elicitation of a hypersensitive response only during the incompatible interaction. These findings, and the ability to isolate RNA from relevant parasitic stages of the nematode, may have significant implications for the identification of nematode factors involved in incompatible interactions.

Genetic diversity in Monoporeia affinis at polluted and reference sites of the Baltic Bothnian Bay.

PubMed

Guban, Peter; Wennerström, Lovisa; Elfwing, Tina; Sundelin, Brita; Laikre, Linda

2015-04-15

The amphipod Monoporeia affinis plays an important role in the Baltic Sea ecosystem as prey and as detritivore. The species is monitored for contaminant effects, but almost nothing is known about its genetics in this region. A pilot screening for genetic variation at the mitochondrial COI gene was performed in 113 individuals collected at six sites in the northern Baltic. Three coastal sites were polluted by pulp mill effluents, PAHs, and trace metals, and two coastal reference sites were without obvious connection to pollution sources. An off-coastal reference site was also included. Contaminated sites showed lower levels of genetic diversity than the coastal reference ones although the difference was not statistically significant. Divergence patterns measured as ΦST showed no significant differentiation within reference and polluted groups, but there was significant genetic divergence between them. The off-coastal sample differed significantly from all coastal sites and also showed lower genetic variation. Copyright © 2015 Elsevier Ltd. All rights reserved.

77 FR 56273 - Conflict Minerals

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-12

....gov/comments/s7-40-10/s74010.shtml (``Post-Proposing Release Web site''). Many commentators provided comments on both the pre- and post-Proposing Release Web sites. Generally, our references to comment letters refer to the comments on the post-Proposing Release Web site. When we refer to a comment letter...

Floristic composition, beta diversity, and nestedness of reference sites for restoration of xeroriparian areas

USGS Publications Warehouse

Beauchamp, Vanessa B.; Shafroth, P.B.

2011-01-01

In restoration ecology, reference sites serve as models for areas to be restored and can provide a standard of comparison for restoration project outcomes. When reference sites are located a relatively long distance from associated restoration projects, differences in climate, disturbance history, and biogeography can increase beta diversity and may decrease the relevance of reference sites. Variation in factors at the scale of individual reference sites such as patch size, microclimate, barriers to dispersal, or soil chemistry can result in reference site species composition that is a nested subset of the regional species pool. In the western United States, restoration of riparian areas, particularly those occupied by Tamarix spp., has become a priority; however, little is known about suitable native replacement vegetation communities for relatively dry and saline riparian terraces that comprise many of the sites where Tamarix is removed prior to restoration activities. We studied plant communities on riparian terraces along five rivers in New Mexico, USA, to (1) determine whether the floristic composition of reference sites can be predicted by easily measured soil variables such as pH, salinity (electric conductivity), and texture; (2) examine the extent of distance decay in the compositional similarity of xeroriparian plant communities in the southwestern United States; and (3) determine the degree of nestedness in xeroriparian plant communities in relationship to soil variables. We found that sites clustered into groups based largely on variation in soil salinity and texture. Vegetation across all sites was highly nested with dominant, salt-tolerant species found on most soil groups and salt-intolerant subordinate species restricted to lowsalinity soils. The identity of subordinate species was largely site dependent, causing all sites to have the same low degree of similarity regardless of the distance between them. We conclude that, when planning restoration projects on dry and saline riparian sites, soil salinity and texture are good predictors of which species will be most suited to the area being restored, but a candidate species pool should be developed from the nearest possible reference sites, particularly for subordinate species. ?? 2011 by the Ecological Society of America.

The effects of marine sand and gravel extraction on the sediment composition and macrofaunal community of a commercial dredging site (15 years post-dredging).

PubMed

Waye-Barker, Georgia A; McIlwaine, Paul; Lozach, Sophie; Cooper, Keith M

2015-10-15

A prediction that faunal recovery of a marine aggregate extraction site subjected to high dredging intensity was likely to take 15-20 years was investigated. Samples were collected at the high dredging intensity site and two reference sites in 2011 (15 years post-dredging). Results indicated that the high site had similar sediment characteristics to the reference sites by 2011. Macrofaunal data analyses showed no difference between the values of all calculated univariate measures (abundance, number of taxa, biomass and evenness) between the high and reference sites. Multivariate analyses found that the macrofaunal community at the high site was comparable to those of the reference sites by 2011. Overall, the results supported the predicted recovery time. The findings of the study suggest that persistent physical impacts prolonged the biological recovery of the high site. Crown Copyright © 2015. Published by Elsevier Ltd. All rights reserved.

Computer-aided active-site-directed modeling of the Herpes Simplex Virus 1 and human thymidine kinase

NASA Astrophysics Data System (ADS)

Folkers, Gerd; Trumpp-Kallmeyer, Susanne; Gutbrod, Oliver; Krickl, Sabine; Fetzer, Jürgen; Keil, Günther M.

1991-10-01

Thymidine kinase (TK), which is induced by Herpes Simplex Virus 1 (HSV1), plays a key role in the antiviral activity of guanine derivatives such as aciclovir (ACV). In contrast, ACV shows only low affinity to the corresponding host cell enzyme. In order to define the differences in substrate binding of the two enzymes on molecular level, models for the three-dimensional (3-D) structures of the active sites of HSV1-TK and human TK were developed. The reconstruction of the active sites started from primary and secondary structure analysis of various kinases. The results were validated to homologous enzymes with known 3-D structures. The models predict that both enzymes consist of a central core β-sheet structure, connected by loops and α-helices very similar to the overall structure of other nucleotide binding enzymes. The phosphate binding is made up of a highly conserved glycine-rich loop at the N-terminus of the proteins and a conserved region at the C-terminus. The thymidine recognition site was found about 100 amino acids downstream from the phosphate binding loop. The differing substrate specificity of human and HSV1-TK can be explained by amino-acid substitutions in the homologous regions. To achieve a better understanding of the structure of the active site and how the thymidine kinase proteins interact with their substrates, the corresponding complexes of thymidine and dihydroxypropoxyguanine (DHPG) with HSV1 and human TK were built. For the docking of the guanine derivative, the X-ray structure of Elongation Factor Tu (EF-Tu), co-crystallized with guanosine diphosphate, was taken as reference. Fitting of thymidine into the active sites was done with respect to similar interactions found in thymidylate kinase. To complement the analysis of the 3-D structures of the two kinases and the substrate enzyme interactions, site-directed mutagenesis of the thymidine recognition site of HSV1-TK has been undertaken, changing Asp162 in the thymidine recognition site into Asn. First investigations reveal that the enzymatic activity of the mutant protein is destroyed.

Evaluating physical habitat and water chemistry data from statewide stream monitoring programs to establish least-impacted conditions in Washington State

USGS Publications Warehouse

Wilmoth, Siri K.; Irvine, Kathryn M.; Larson, Chad

2015-01-01

Various GIS-generated land-use predictor variables, physical habitat metrics, and water chemistry variables from 75 reference streams and 351 randomly sampled sites throughout Washington State were evaluated for effectiveness at discriminating reference from random sites within level III ecoregions. A combination of multivariate clustering and ordination techniques were used. We describe average observed conditions for a subset of predictor variables as well as proposing statistical criteria for establishing reference conditions for stream habitat in Washington. Using these criteria, we determined whether any of the random sites met expectations for reference condition and whether any of the established reference sites failed to meet expectations for reference condition. Establishing these criteria will set a benchmark from which future data will be compared.

New service of Earth Interactions offers sneak peek at work in progress

NASA Astrophysics Data System (ADS)

A new service of the all-electronic journal Earth Interactions (Web site http://EarthInter-actions.org) now provides online access to abstracts or preprints of selected papers being presented at various Earth system science conferences. The new service, “Earth Abstractions,” is separate from the peer-reviewed articles in Earth Interactions. The editors select the sessions that will be featured. AGU Spring Meeting abstracts are now highlighted on the site.The abstract titles in Earth Abstractions will link directly to online extended abstracts or preprints located on the authors' home servers if such abstracts are made available. As the author updates the preprint and posts it to the same URL, Earth Abstractions will continue to feature the most recent information from the author related to that work. Readers can preview an author's work as it evolves prior to the meeting as well as refer to it for a year after the meeting has ended. This exchange also provides a means for authors to receive positive feedback on their papers independent of the conference session, which may help those who plan to submit papers about their work to a peer-reviewed journal.

Binding of copper to lysozyme: Spectroscopic, isothermal titration calorimetry and molecular docking studies

NASA Astrophysics Data System (ADS)

Jing, Mingyang; Song, Wei; Liu, Rutao

2016-07-01

Although copper is essential to all living organisms, its potential toxicity to human health have aroused wide concerns. Previous studies have reported copper could alter physical properties of lysozyme. The direct binding of copper with lysozyme might induce the conformational and functional changes of lysozyme and then influence the body's resistance to bacterial attack. To better understand the potential toxicity and toxic mechanisms of copper, the interaction of copper with lysozyme was investigated by biophysical methods including multi-spectroscopic measurements, isothermal titration calorimetry (ITC), molecular docking study and enzyme activity assay. Multi-spectroscopic measurements proved that copper quenched the intrinsic fluorescence of lysozyme in a static process accompanied by complex formation and conformational changes. The ITC results indicated that the binding interaction was a spontaneous process with approximately three thermodynamical binding sites at 298 K and the hydrophobic force is the predominant driven force. The enzyme activity was obviously inhibited by the addition of copper with catalytic residues Glu 35 and Asp 52 locating at the binding sites. This study helps to elucidate the molecular mechanism of the interaction between copper and lysozyme and provides reference for toxicological studies of copper.

Molecular docking and inhibition studies on the interactions of Bacopa monnieri's potent phytochemicals against pathogenic Staphylococcus aureus.

PubMed

Emran, Talha Bin; Rahman, Md Atiar; Uddin, Mir Muhammad Nasir; Dash, Raju; Hossen, Md Firoz; Mohiuddin, Mohammad; Alam, Md Rashadul

2015-04-17

Bacopa monnieri Linn. (Plantaginaceae), a well-known medicinal plant, is widely used in traditional medicine system. It has long been used in gastrointestinal discomfort, skin diseases, epilepsy and analgesia. This research investigated the in vitro antimicrobial activity of Bacopa monnieri leaf extract against Staphylococcus aureus and the interaction of possible compounds involved in this antimicrobial action. Non-edible plant parts were extracted with ethanol and evaporated in vacuo to obtain the crude extract. A zone of inhibition studies and the minimum inhibitory concentration (MIC) of plant extracts were evaluated against clinical isolates by the microbroth dilution method. Docking study was performed to analyze and identify the interactions of possible antimicrobial compounds of Bacopa monnieri in the active site of penicillin binding protein and DNA gyrase through GOLD 4.12 software. A zone of inhibition studies showed significant (p < 0.05) inhibition capacity of different concentrations of Bacopa monnieri's extract against Staphylococcus aureus. The extract also displayed very remarkable minimum inhibitory concentrations (≥16 μg/ml) which was significant compared to that (≥75 μg/ml) of the reference antibiotic against the experimental strain Staphylococcus aureus. Docking studies recommended that luteolin, an existing phytochemical of Bacopa monnieri, has the highest fitness score and more specificity towards the DNA gyrase binding site rather than penicillin binding protein. Bacopa monnieri extract and its compound luteolin have a significant antimicrobial activity against Staphylococcus aureus. Molecular binding interaction of an in silico data demonstrated that luteolin has more specificity towards the DNA gyrase binding site and could be a potent antimicrobial compound.

Sentiment Analysis of Web Sites Related to Vaginal Mesh Use in Pelvic Reconstructive Surgery.

PubMed

Hobson, Deslyn T G; Meriwether, Kate V; Francis, Sean L; Kinman, Casey L; Stewart, J Ryan

2018-05-02

The purpose of this study was to utilize sentiment analysis to describe online opinions toward vaginal mesh. We hypothesized that sentiment in legal Web sites would be more negative than that in medical and reference Web sites. We generated a list of relevant key words related to vaginal mesh and searched Web sites using the Google search engine. Each unique uniform resource locator (URL) was sorted into 1 of 6 categories: "medical", "legal", "news/media", "patient generated", "reference", or "unrelated". Sentiment of relevant Web sites, the primary outcome, was scored on a scale of -1 to +1, and mean sentiment was compared across all categories using 1-way analysis of variance. Tukey test evaluated differences between category pairs. Google searches of 464 unique key words resulted in 11,405 URLs. Sentiment analysis was performed on 8029 relevant URLs (3472 legal, 1625 "medical", 1774 "reference", 666 "news media", 492 "patient generated"). The mean sentiment for all relevant Web sites was +0.01 ± 0.16; analysis of variance revealed significant differences between categories (P < 0.001). Web sites categorized as "legal" and "news/media" had a slightly negative mean sentiment, whereas those categorized as "medical," "reference," and "patient generated" had slightly positive mean sentiments. Tukey test showed differences between all category pairs except the "medical" versus "reference" in comparison with the largest mean difference (-0.13) seen in the "legal" versus "reference" comparison. Web sites related to vaginal mesh have an overall mean neutral sentiment, and Web sites categorized as "medical," "reference," and "patient generated" have significantly higher sentiment scores than related Web sites in "legal" and "news/media" categories.

Accuracy of Answers Provided by Digital/Face-to-Face Reference Services in Japanese Public Libraries and Q & A Sites

ERIC Educational Resources Information Center

Tsuji, Keita; To, Haruna; Hara, Atsuyuki

2011-01-01

We asked the same 60 questions using DRS (digital reference services) in Japanese public libraries, face-to-face reference services and Q & A (question and answer) sites. It was found that: (1) The correct answer ratio of DRS is higher than that of Q & A sites; (2) DRS takes longer to provide answers as compared to Q & A sites; and (3)…

Potential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISM.

PubMed

Ariz-Extreme, Igor; Hub, Jochen S

2017-02-23

Membrane channels facilitate the efficient and selective flux of various solutes across biological membranes. A common approach to investigate the selectivity of a channel has been the calculation of potentials of mean force (PMFs) for solute permeation across the pore. PMFs have been frequently computed from molecular dynamics (MD) simulations, yet the three-dimensional reference interaction site model (3D-RISM) has been suggested as a computationally efficient alternative to MD. Whether the two methods yield comparable PMFs for solute permeation has remained unclear. In this study, we calculated potentials of mean force for water, ammonia, urea, molecular oxygen, and methanol across the urea transporter B (UT-B) and aquaporin-1 (AQP1), using 3D-RISM, as well as using MD simulations and umbrella sampling. To allow direct comparison between the PMFs from 3D-RISM and MD, we ensure that all PMFs refer to a well-defined reference area in the bulk or, equivalently, to a well-defined density of channels in the membrane. For PMFs of water permeation, we found reasonable agreement between the two methods, with differences of ≲3 kJ mol -1 . In contrast, we found stark discrepancies for the PMFs for all other solutes. Additional calculations confirm that discrepancies between MD and 3D-RISM are not explained by the choice for the closure relation, the definition the reaction coordinate (center of mass-based versus atomic site-based), details of the molecule force field, or fluctuations of the protein. Comparison of the PMFs suggests that 3D-RISM may underestimate effects from hydrophobic solute-channel interactions, thereby, for instance, missing the urea binding sites in UT-B. Furthermore, we speculate that the orientational averages inherent to 3D-RISM might lead to discrepancies in the narrow channel lumen. These findings suggest that current 3D-RISM solvers provide reasonable estimates for the PMF for water permeation, but that they are not suitable to study the selectivity of membrane channels with respect to uncharged nonwater solutes.

Dual-tail approach to discovery of novel carbonic anhydrase IX inhibitors by simultaneously matching the hydrophobic and hydrophilic halves of the active site.

PubMed

Hou, Zhuang; Lin, Bin; Bao, Yu; Yan, Hai-Ning; Zhang, Miao; Chang, Xiao-Wei; Zhang, Xin-Xin; Wang, Zi-Jie; Wei, Gao-Fei; Cheng, Mao-Sheng; Liu, Yang; Guo, Chun

2017-05-26

Dual-tail approach was employed to design novel Carbonic Anhydrase (CA) IX inhibitors by simultaneously matching the hydrophobic and hydrophilic halves of the active site, which also contains a zinc ion as part of the catalytic center. The classic sulfanilamide moiety was used as the zinc binding group. An amino glucosamine fragment was chosen as the hydrophilic part and a cinnamamide fragment as the hydrophobic part in order to draw favorable interactions with the corresponding halves of the active site. In comparison with sulfanilamide which is largely devoid of the hydrophilic and hydrophobic interactions with the two halves of the active site, the compounds so designed and synthesized in this study showed 1000-fold improvement in binding affinity. Most of the compounds inhibited the CA effectively with IC 50 values in the range of 7-152 nM. Compound 14e (IC 50 : 7 nM) was more effective than the reference drug acetazolamide (IC 50 : 30 nM). The results proved that the dual-tail approach to simultaneously matching the hydrophobic and hydrophilic halves of the active site by linking hydrophobic and hydrophilic fragments was useful for designing novel CA inhibitors. The effectiveness of those compounds was elucidated by both the experimental data and molecular docking simulations. This work laid a solid foundation for further development of novel CA IX inhibitors for cancer treatment. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Variations in archaeal and bacterial diversity associated with the anaerobic oxidation of methane in the active mud volcanoes of the Canadian Beaufort Sea

NASA Astrophysics Data System (ADS)

Lee, Y. M.; Lee, D. H.; Hwang, K.; Hong, S. G.; Jin, Y. K.

2016-12-01

The prokaryotic microorganisms inhabiting Mud Volcanoes (MVs) play an important role for mitigation of methane (CH4) emission. Despite the identification of active MVs in the continental slope of the Canadian Beaufort Sea, little is known about the distribution and functions of prokaryotic community in this region. Hence, we investigated the prokaryotic diversity of four sediment cores (three from the active MVs and one from a non-methane influenced reference site) of the Canadian Beaufort Sea using 454-pyrosequencing of 16S rRNA genes as the first step to understand the prokaryotic roles in controlling outgassing methane. Bacterial and archaeal communities of MVs were distinctive from those of the reference site, and the communities of MVs were similar to each other at deeper depth levels. Chloroflexi, Actinobacteria, unclassified bacterial groups, and MCG_c of Crenarchaeota were predominant in the MVs, while Firmicutes, Deltaproteobacteria, and unclassified class of Thaumarchaeota were dominant in reference site. The relative abundance of dominant bacterial groups varied at sulfate-methane transition zone (SMTZ) of individual MVs. However, certain microbial taxa such as members of SAGMEG_o or Methanosarcinales of Euryarcheaota and Dehalococcoidales of Chloroflexi were predominant at SMTZs. Since they are not the classical representative taxa known to be involved in anaerobic oxidation of methane, their dominance implicates that they could be playing important roles in methane cycling using unrevealed mechanisms. We will further perform the phylogenetic and network analyses to infer mechanisms and interactions of dominant operational taxonomic units in controlling methane flux.

Riparian reference areas in Idaho: A catalog of plant associations and conservation sites

Treesearch

Mabel Jankovsky-Jones; Steven K. Rust; Robert K. Moseley

1999-01-01

Idaho land managers and regulators need knowledge on riparian reference sites. Reference sites are ecological controls that can be used to set meaningful management and regulatory goals. Since 1984, the Idaho Conservation Data Center, Boise, ID, has compiled information in a series of interrelated databases on the distribution and condition of riparian, wetland, and...

A soil sampling reference site: the challenge in defining reference material for sampling.

PubMed

de Zorzi, Paolo; Barbizzi, Sabrina; Belli, Maria; Fajgelj, Ales; Jacimovic, Radojko; Jeran, Zvonka; Sansone, Umberto; van der Perk, Marcel

2008-11-01

In the frame of the international SOILSAMP project, funded and coordinated by the Italian Environmental Protection Agency, an agricultural area was established as a reference site suitable for performing soil sampling inter-comparison exercises. The reference site was characterized for trace element content in soil, in terms of the spatial and temporal variability of their mass fraction. Considering that the behaviour of long-lived radionuclides in soil can be expected to be similar to that of some stable trace elements and that the distribution of these trace elements in soil can simulate the distribution of radionuclides, the reference site characterised in term of trace elements, can be also used to compare the soil sampling strategies developed for radionuclide investigations.

Communication and collaboration technologies.

PubMed

Cheeseman, Susan E

2012-01-01

This is the third in a series of columns exploring health information technology (HIT) in the neonatal intensive care unit (NICU). The first column provided background information on the implementation of information technology throughout the health care delivery system, as well as the requisite informatics competencies needed for nurses to fully engage in the digital era of health care. The second column focused on information and resources to master basic computer competencies described by the TIGER initiative (Technology Informatics Guiding Education Reform) as learning about computers, computer networks, and the transfer of data.1 This column will provide additional information related to basic computer competencies, focusing on communication and collaboration technologies. Computers and the Internet have transformed the way we communicate and collaborate. Electronic communication is the ability to exchange information through the use of computer equipment and software.2 Broadly defined, any technology that facilitates linking one or more individuals together is a collaborative tool. Collaboration using technology encompasses an extensive range of applications that enable groups of individuals to work together including e-mail, instant messaging (IM ), and several web applications collectively referred to as Web 2.0 technologies. The term Web 2.0 refers to web applications where users interact and collaborate with each other in a collective exchange of ideas generating content in a virtual community. Examples of Web 2.0 technologies include social networking sites, blogs, wikis, video sharing sites, and mashups. Many organizations are developing collaborative strategies and tools for employees to connect and interact using web-based social media technologies.3.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cao, Siqin; Department of Chemistry, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon; Sheong, Fu Kit

Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achievemore » this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute.« less

Soil hydrology of agroforestry systems: Competition for water or positive tree-crops interactions?

NASA Astrophysics Data System (ADS)

Gerjets, Rowena; Richter, Falk; Jansen, Martin; Carminati, Andrea

2017-04-01

In dry periods during the growing season crops may suffer from severe water stress. The question arises whether the alternation of crop and tree strips might enhance and sustain soil water resources available for crops during drought events. Trees reduce wind exposure, decreasing the potential evapotranspiration of crops and soils; additionally hydraulic lift from the deep roots of trees to the drier top soil might provide additional water for shallow-rooted crops. To understand the above and belowground water relations of agroforestry systems, we measured soil moisture and soil water potential in crop strips as a function of distance to the trees at varying depth as well as meteorological parameters. At the agroforestry site Reiffenhausen, Lower Saxony, Germany, two different tree species are planted, each in one separated tree strip: willow breed Tordis ((Salix viminalis x Salix Schwerinii) x Salix viminalis) and poplar clone Max 1 (Populus nigra x Populus maximowiczii). In between the tree strips a crop strip of 24 m width was established with annual crop rotation, managed the same way as the reference site. During a drought period in May 2016 with less than 2 mm rain in four weeks, an overall positive effect on hydrological conditions of the agroforestry system was observed. The results show that trees shaded the soil surface, lowering the air temperature and further increasing the soil moisture in the crop strips compared to the reference site, which was located far from the trees. At the reference site the crops took up water in the upper soil (<20 cm depth); after the soil reached water potentials below -100 kPa, root water uptake moved to deeper soil layers (<40 cm). Because of the higher wind and solar radiation exposure the reference soil profile was severely dried out. Also in the crop strips of the agroforestry system, crops took up water in the upper soil. However, the lower soil layers remained wet for an extended period of time. The tree strips reduced the wind speed, hence lowering evapotranspiration in the crop strip. The plot was not aligned directly to North and we observed steeper soil water potential gradients in the part of the crop strip more exposed to sunlight. The two tree species behaved differently. The poplar strips showed more marked diurnal changes in soil water potential, with fast drying during daytime and rewetting during nighttime. We suppose that the rewetting during nighttime was caused by hydraulic lift, which supports passively the drier upper soil with water from the wetter, lower soil layers. This experimental study shows the importance of above- and belowground tree-crop interactions and demonstrate the positive effect of tree strips in reducing drought stress in crops.

Energy Use and Carbon Dioxide Emissions from Cropland Production in the United States, 1990-2004

DOE Data Explorer

Nelson, R. G.; Hellwinckel, C. H.; Brandt, C. C.; West, T. O.; De La Torre Ugarte, D. G.; Marland, G.

2008-01-01

These data represent energy use and fossil-fuel CO2 emissions associated with cropland production in the U.S. Energy use and emissions occurring on the farm are referred to as on-site energy and on-site emissions. Energy use and emissions associated with cropland production that occur off the farm (e.g., use of electricity, energy and emissions associated with fertilizer and pesticide production) are referred to as off-site energy and off-site emissions. The combination of on-site and off-site energy and carbon is referred to as total energy and total carbon, respectively.

Bird assemblage response to restoration of fire-suppressed longleaf pine sandhills.

PubMed

Steen, David A; Conner, L M; Smith, Lora L; Provencher, Louis; Hiers, J Kevin; Pokswinski, Scott; Helms, Brian S; Guyer, Craig

2013-01-01

The ecological restoration of fire-suppressed habitats may require a multifaceted approach. Removal of hardwood trees together with reintroduction of fire has been suggested as a method of restoring fire-suppressed longleaf pine (Pinus palustris) forests; however, this strategy, although widespread, has not been evaluated on large spatial and temporal scales. We used a landscape-scale experimental design to examine how bird assemblages in fire-suppressed longleaf pine sandhills responded to fire alone or fire following mechanical removal or herbicide application to reduce hardwood levels. Individual treatments were compared to fire-suppressed controls and reference sites. After initial treatment, all sites were managed with prescribed fire, on an approximately two- to three-year interval, for over a decade. Nonmetric multidimensional scaling ordinations suggested that avian assemblages on sites that experienced any form of hardwood removal differed from assemblages on both fire-suppressed sites and reference sites 3-4 years after treatment (i.e., early posttreatment). After >10 years of prescribed burning on all sites (i.e., late posttreatment), only assemblages at sites treated with herbicide were indistinguishable from assemblages at reference sites. By the end of the study, individual species that were once indicators of reference sites no longer contributed to making reference sites unique. Occupancy modeling of these indicator species also demonstrated increasing similarity across treatments over time. Overall, although we documented long-term and variable assemblage-level change, our results indicate occupancy for birds considered longleaf pine specialists was similar at treatment and reference sites after over a decade of prescribed burning, regardless of initial method of hardwood removal. In other words, based on the response of species highly associated with the habitat, we found no justification for the added cost and effort of fire surrogates; fire alone was sufficient to restore these species.

E-KIT: An Electronic-Knowledge Information Tool for Organizing Site Information and Improving Technical Communication with Stakeholders - 13082

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kautsky, Mark; Findlay, Richard C.; Hodges, Rex A.

2013-07-01

Managing technical references for projects that have long histories is hampered by the large collection of documents, each of which might contain discrete pieces of information relevant to the site conceptual model. A database application has been designed to improve the efficiency of retrieving technical information for a project. Although many databases are currently used for accessing analytical and geo-referenced data, applications designed specifically to manage technical reference material for projects are scarce. Retrieving site data from the array of available references becomes an increasingly inefficient use of labor. The electronic-Knowledge Information Tool (e-KIT) is designed as a project-level resourcemore » to access and communicate technical information. The e-KIT is a living tool that grows as new information becomes available, and its value to the project increases as the volume of site information increases. Having all references assembled in one location with complete reference citations and links to elements of the site conceptual model offers a way to enhance communication with outside groups. The published and unpublished references are incorporated into the e-KIT, while the compendium of references serves as a complete bibliography for the project. (authors)« less

Chemical and textural characteristics of sediments at an EPA reference site for dredged material on the continental slope SW of the Farallon Islands

USGS Publications Warehouse

Bothner, Michael H.; Gill, P.W.; Boothman, W.S.; Taylor, B.B.; Karl, Herman A.

1997-01-01

A U.S. Environmental Protection Agency (EPA) reference site for dredged material has been established on the Continental Slope off San Francisco in water depths of 800-1500 m. This site, 35 km southwest of the Farallon Islands, serves as a reference for sediment testing in support of dredging and disposal at the San Francisco Deep Ocean Disposal Site (SF-DODS). An estimated 300 million cubic yards of dredged material from San Francisco Bay are expected to be discharged at this site during the next 50 years. Information from the reference site provides an additional baseline for monitoring environmental changes at the SF-DODS. This study provides sediment data on a suite of heavy metals and organic compounds which make up the EPA list of "chemicals of concern" because of their potential toxicity to marine organisms.

Using Heavy Metal Content and Lipid Peroxidation Indicators in the Tissues of the Mussel Crenomytilus grayanus for Pollution Assessment After Marine Environmental Remediation.

PubMed

Belcheva, Nina; Istomina, Alexandra; Dovzhenko, Nadezhda; Lishavskaya, Tatiana; Chelomin, Victor

2015-10-01

We examined the effects of environmental remediation on the heavy metal concentration and lipid peroxidation activity in the digestive gland and gills of the marine mussel Crenomytilus grayanus. Changes in heavy metal concentrations and lipid peroxidation biomarkers in the tissues of mussels collected at a contaminated site were compared with those obtained from a reference site. Prior to remediation the concentration of Pb, Cu, Cd, Fe and Zn and the levels of malondialdehyde, conjugated dienes and lipofuscin in mussels collected from the contaminated site were significantly increased compared with those obtained from the reference site. Three years after remediation, these parameters did not significantly exceed the reference site parameters, except Pb, whose concentration, though markedly decreased, yet was much higher than in tissues of mussels from the reference site.

Effect of matrix chemical heterogeneity on effective filler interactions in model polymer nanocomposites

NASA Astrophysics Data System (ADS)

Hall, Lisa; Schweizer, Kenneth

2010-03-01

The microscopic Polymer Reference Interaction Site Model theory has been applied to spherical and rodlike fillers dissolved in three types of chemically heterogeneous polymer melts: alternating AB copolymer, random AB copolymers, and an equimolar blend of two homopolymers. In each case, one monomer species adsorbs more strongly on the filler mimicking a specific attraction, while all inter-monomer potentials are hard core which precludes macrophase or microphase separation. Qualitative differences in the filler potential-of-mean force are predicted relative to the homopolymer case. The adsorbed bound layer for alternating copolymers exhibits a spatial moduluation or layering effect but is otherwise similar to that of the homopolymer system. Random copolymers and the polymer blend mediate a novel strong, long-range bridging interaction between fillers at moderate to high adsorption strengths. The bridging strength is a non-monotonic function of random copolymer composition, reflecting subtle competing enthalpic and entropic considerations.

3DRISM-HI-D2MSA: an improved analytic theory to compute solvent structure around hydrophobic solutes with proper treatment of solute–solvent electrostatic interactions

NASA Astrophysics Data System (ADS)

Cao, Siqin; Zhu, Lizhe; Huang, Xuhui

2018-04-01

The 3D reference interaction site model (3DRISM) is a powerful tool to study the thermodynamic and structural properties of liquids. However, for hydrophobic solutes, the inhomogeneity of the solvent density around them poses a great challenge to the 3DRISM theory. To address this issue, we have previously introduced the hydrophobic-induced density inhomogeneity theory (HI) for purely hydrophobic solutes. To further consider the complex hydrophobic solutes containing partial charges, here we propose the D2MSA closure to incorporate the short-range and long-range interactions with the D2 closure and the mean spherical approximation, respectively. We demonstrate that our new theory can compute the solvent distributions around real hydrophobic solutes in water and complex organic solvents that agree well with the explicit solvent molecular dynamics simulations.

Prediction of protein post-translational modifications: main trends and methods

NASA Astrophysics Data System (ADS)

Sobolev, B. N.; Veselovsky, A. V.; Poroikov, V. V.

2014-02-01

The review summarizes main trends in the development of methods for the prediction of protein post-translational modifications (PTMs) by considering the three most common types of PTMs — phosphorylation, acetylation and glycosylation. Considerable attention is given to general characteristics of regulatory interactions associated with PTMs. Different approaches to the prediction of PTMs are analyzed. Most of the methods are based only on the analysis of the neighbouring environment of modification sites. The related software is characterized by relatively low accuracy of PTM predictions, which may be due both to the incompleteness of training data and the features of PTM regulation. Advantages and limitations of the phylogenetic approach are considered. The prediction of PTMs using data on regulatory interactions, including the modular organization of interacting proteins, is a promising field, provided that a more carefully selected training data will be used. The bibliography includes 145 references.

Non-conserved magnetization operator and 'fire-and-ice' ground states in the Ising-Heisenberg diamond chain

NASA Astrophysics Data System (ADS)

Torrico, Jordana; Ohanyan, Vadim; Rojas, Onofre

2018-05-01

We consider the diamond chain with S = 1/2 XYZ vertical dimers which interact with the intermediate sites via the interaction of the Ising type. We also suppose all four spins form the diamond-shaped plaquette to have different g-factors. The non-uniform g-factors within the quantum spin dimer as well as the XY-anisotropy of the exchange interaction lead to the non-conserving magnetization for the chain. We analyze the effects of non-conserving magnetization as well as the effects of the appearance of negative g-factors among the spins from the unit cell. A number of unusual frustrated states for ferromagnetic couplings and g-factors with non-uniform signs are found out. These frustrated states generalize the "half-fire-half-ice" state introduced in reference Yin et al. (2015). The corresponding zero-temperature ground state phase diagrams are presented.

PolyaPeak: Detecting Transcription Factor Binding Sites from ChIP-seq Using Peak Shape Information

PubMed Central

Wu, Hao; Ji, Hongkai

2014-01-01

ChIP-seq is a powerful technology for detecting genomic regions where a protein of interest interacts with DNA. ChIP-seq data for mapping transcription factor binding sites (TFBSs) have a characteristic pattern: around each binding site, sequence reads aligned to the forward and reverse strands of the reference genome form two separate peaks shifted away from each other, and the true binding site is located in between these two peaks. While it has been shown previously that the accuracy and resolution of binding site detection can be improved by modeling the pattern, efficient methods are unavailable to fully utilize that information in TFBS detection procedure. We present PolyaPeak, a new method to improve TFBS detection by incorporating the peak shape information. PolyaPeak describes peak shapes using a flexible Pólya model. The shapes are automatically learnt from the data using Minorization-Maximization (MM) algorithm, then integrated with the read count information via a hierarchical model to distinguish true binding sites from background noises. Extensive real data analyses show that PolyaPeak is capable of robustly improving TFBS detection compared with existing methods. An R package is freely available. PMID:24608116

Polycyclic aromatic hydrocarbons, aliphatic hydrocarbons, trace elements and monooxygenase activity in birds nesting on the North Platte River, Casper, Wyoming, USA

USGS Publications Warehouse

Custer, T.W.; Custer, Christine M.; Dickerson, K.; Allen, K.; Melancon, M.J.; Schmidt, L.J.

2001-01-01

Tree swallow (Tachycineta bicolor) and house wren (Troglodytes aedon) eggs and chicks were collected near a refinery site on the North Platte River, Casper, Wyoming, USA and at a reference site 10 km upstream. Total polycylic aromatic hydrocarbon (PAH) concentrations in swallow and wren chicks were higher at the refinery site than at the reference site. Polycylic aromatic hydrocarbon concentrations in sediment and chick dietary samples were consistent with these findings. The general lack of methylated PAHs in sediment, diet, and bird carcasses suggested that the PAHs were derived from combustion and not from petroleum. The predominance of odd numbered aliphatic hydrocarbons and the low ratios (≤ 0.25) of pristane: n-C17 and phytane: n-C18 in chick and diet samples also suggested that swallow and wren chicks were not being chronically exposed to petroleum. Mean ethoxyresorufin-O-dealkylase and benzyloxyresorufin-O-dealkylase activities in tree swallow livers averaged nine times higher at the refinery site than at the reference site and were probably induced by exposure to PAHs. Trace element concentrations in eggs and livers of swallows and wrens were similar or greater at the reference site than at the refinery site. Selenium, strontium, and boron concentrations were elevated in eggs and livers of swallows and wrens at both the refinery and reference sites.

BOREAS (Boreal Ecosystem-Atmosphere Study): Global change and biosphere-atmosphere interactions in the boreal forest

NASA Technical Reports Server (NTRS)

Sellers, Piers J.

1991-01-01

The Boreal Ecosystems Atmosphere Study (BOREAS) is a cooperative field and analysis project involving elements of land surface climatology, tropospheric chemistry, and terrestrial ecology. The goal of the study is to understand the interactions between the boreal forest biome and the atmosphere in order to clarify their roles in global change. The study will be centered on two 20 by 20 km sites within the North American boreal forest region, located near the northern and southern limits of the biome. Studies based at these sites will be used to explore the roles of various environmental factors in controlling the extent and character of the biome. The sites will be the subject of surface, airborne, and satellite based observations which aim to improve understanding of the biological and physical processes and states which govern the exchanges of energy, water, carbon, and trace gases between boreal forest ecosystems and the atmosphere. Particular reference will be made to those processes and states that may be sensitive to global change. The study also aims to develop the use of remote sensing techniques to transfer understanding of the above process from local scales out to regional scales. The BOREAS project is being planned for 1992-1996, with a major field effort in 1994.

Welcome to the Piñon-Juniper WebZone!

Science.gov Websites

Juniper Stand Panorama The Pinyon-Juniper Zone About this Site This site provides reference extensive REFERENCE LIST. If you are aware of literature that has been missed or new articles coming out please send a complete reference to Richard.Miller@oregonstate.edu. References About Piñon & Juniper

Analytical RISM-MP2 free energy gradient method: Application to the Schlenk equilibrium of Grignard reagent

NASA Astrophysics Data System (ADS)

Mori, Toshifumi; Kato, Shigeki

2007-03-01

We present a method to evaluate the analytical gradient of reference interaction site model Møller-Plesset second order free energy with respect to solute nuclear coordinates. It is applied to calculate the geometries and energies in the equilibria of the Grignard reagent (CH 3MgCl) in dimethylether solvent. The Mg-Mg and Mg-Cl distances as well as the binding energies of solvents are largely affected by the dynamical electron correlation. The solvent effect on the Schlenk equilibrium is examined.

Aggregation of gold nanoparticles followed by methotrexate release enables Raman imaging of drug delivery into cancer cells

NASA Astrophysics Data System (ADS)

Durgadas, C. V.; Sharma, C. P.; Paul, W.; Rekha, M. R.; Sreenivasan, K.

2012-09-01

This study refers an aqueous synthesis of methotrexate (MTX)-conjugated gold nanoparticles (GNPs), their interaction with HepG2 cells, and the use of Raman imaging to observe cellular internalization and drug delivery. GNPs of average size 3.5-5 nm were stabilized using the amine terminated bifunctional biocompatible copolymer and amended by conjugating MTX, an anticancer drug. The nanoparticles were released MTX at a faster rate in acidic pH and subsequently found to form aggregates. The Raman signals of cellular components were found to be enhanced by the aggregated particles enabling the mapping to visualize site-specific drug delivery. The methodology seems to have potential in optimizing the characteristics of nanodrug carriers for emptying the cargo precisely at specified sites.

Online social networking sites-a novel setting for health promotion?

PubMed

Loss, Julika; Lindacher, Verena; Curbach, Janina

2014-03-01

Among adolescents, online social networking sites (SNS) such as Facebook are popular platforms for social interaction and may therefore be considered as 'novel settings' that could be exploited for health promotion. In this article, we examine the relevant definitions in health promotion and literature in order to analyze whether key characteristics of 'settings for health promotion' and the socio-ecological settings approach can be transferred to SNS. As many of our daily activities have shifted to cyberspace, we argue that online social interaction may gain more importance than geographic closeness for defining a 'setting'. While exposition to positive references to risk behavior by peers may render the SNS environment detrimental to health, SNS may allow people to create their own content and therefore foster participation. However, those health promotion projects delivered on SNS up until today solely relied on health education directed at end users. It remains unclear how health promotion on SNS can meet other requirements of the settings approach (e.g. building partnerships, changing the environment). As yet, one should be cautious in terming SNS a 'setting'. Copyright © 2013 Elsevier Ltd. All rights reserved.

Coevolution study of mitochondria respiratory chain proteins: toward the understanding of protein--protein interaction.

PubMed

Yang, Ming; Ge, Yan; Wu, Jiayan; Xiao, Jingfa; Yu, Jun

2011-05-20

Coevolution can be seen as the interdependency between evolutionary histories. In the context of protein evolution, functional correlation proteins are ever-present coordinated evolutionary characters without disruption of organismal integrity. As to complex system, there are two forms of protein--protein interactions in vivo, which refer to inter-complex interaction and intra-complex interaction. In this paper, we studied the difference of coevolution characters between inter-complex interaction and intra-complex interaction using "Mirror tree" method on the respiratory chain (RC) proteins. We divided the correlation coefficients of every pairwise RC proteins into two groups corresponding to the binary protein--protein interaction in intra-complex and the binary protein--protein interaction in inter-complex, respectively. A dramatical discrepancy is detected between the coevolution characters of the two sets of protein interactions (Wilcoxon test, p-value = 4.4 × 10(-6)). Our finding reveals some critical information on coevolutionary study and assists the mechanical investigation of protein--protein interaction. Furthermore, the results also provide some unique clue for supramolecular organization of protein complexes in the mitochondrial inner membrane. More detailed binding sites map and genome information of nuclear encoded RC proteins will be extraordinary valuable for the further mitochondria dynamics study. Copyright © 2011. Published by Elsevier Ltd.

Interaction of Sr-90 with site candidate soil for demonstration disposal facility at Serpong

NASA Astrophysics Data System (ADS)

Setiawan, Budi; Mila, Oktri; Safni

2014-03-01

Interaction of radiostrontium (Sr-90) with site candidate soil for demonstration disposal facility to be constructed in the near future at Serpong has been done. This activity is to anticipate the interim storage facility at Serpong nuclear area becomes full off condition, and show to the public how radioactive waste can be well managed with the existing technology. To ensure that the location is save, a reliability study of site candidate soil becomes very importance to be conducted through some experiments consisted some affected parameters such as contact time, effect of ionic strength, and effect of Sr+ ion in solution. Radiostrontium was used as a tracer on the experiments and has role as radionuclide reference in low-level radioactive waste due to its long half-live and it's easy to associate with organism in nature. So, interaction of radiostrontium and soil samples from site becomes important to be studied. Experiment was performed in batch method, and soil sample-solution containing radionuclide was mixed in a 20 ml of PE vial. Ratio of solid: liquid was 10-2 g/ml. Objective of the experiment is to collect the specific characteristics data of radionuclide sorption onto soil from site candidate. Distribution coefficient value was used as indicator where the amount of initial and final activities of radiostrontium in solution was compared. Result showed that equilibrium condition was reached after contact time 10 days with Kd values ranged from 1600-2350 ml/g. Increased in ionic strength in solution made decreased of Kd value into soil sample due to competition of background salt and radiostrontium into soil samples, and increased in Sr ion in solution caused decreased of Kd value in soil sample due to limitation of sorption capacity in soil samples. Fast condition in saturated of metal ion into soil samples was reached due to a simple reaction was occurred.

Using Publishers' Web Sites for Reference Collection Development.

ERIC Educational Resources Information Center

Holmberg, Melissa

2000-01-01

Analyzes the ways publishers' Web sites can be used by librarians to locate additional science and technology reference materials which fall within budget constraints while meeting the needs of the patrons. Reviews specific publishers' Web sites to compare features and show how they differ. (Author/LRW)

STORED RETINOIDS IN POPULATIONS OF AN ESTUARINE FISH, FUNDULUS HETERCLITUS, INDIGENOUS TO PCB-CONTAMINATED AND REFERENCE SITES

EPA Science Inventory

Concentrations of retinoids, derivatives of vitamin A, were measured in populations of the nonmigratory estuarine fish Fundulus heteroclitus, indigenous to a reference site and a site highly contaminated with polychlorinated biphenyls (PCBs) to address the hypothesis that contami...

Stream channel reference sites: An illustrated guide to field technique

Treesearch

Cheryl C Harrelson; C. L. Rawlins; John P. Potyondy

1994-01-01

This document is a guide to establishing permanent reference sites for gathering data about the physical characteristics of streams and rivers. The minimum procedure consists of the following: (1) select a site, (2) map the site and location, (3) measure the channel cross-section, (4) survey a longitudinal profile of the channel, (5) measure stream flow, (6) measure...

Dechlorane Plus flame retardant in kingfishers (Alcedo atthis) from an electronic waste recycling site and a reference site, South China: influence of residue levels on the isomeric composition.

PubMed

Mo, Ling; Wu, Jiang-Ping; Luo, Xiao-Jun; Sun, Yu-Xin; Zheng, Xiao-Bo; Zhang, Qiang; Zou, Fa-Shen; Mai, Bi-Xian

2013-03-01

Dechlorane Plus (DP) isomers were examined in common kingfishers (Alcedo atthis) and their prey fishes collected from an electronic waste (e-waste) recycling site and a reference site in South China, to investigate the possible influence of DP residue levels on the isomeric compositions. ∑DP (sum of syn-DP and anti-DP) concentrations in kingfishers from the e-waste recycling site ranged from 29 to 150 (median of 58) ng/g lipid weight (lw), which were one order of magnitude greater than those from the reference site (median = 3.9 ng/g lw). The isomer fractions of anti-DP (f(anti)) in kingfishers from the e-waste recycling site (mean of 0.65) were significantly smaller than those from the reference site (0.76). Additionally, the f(anti) values were negatively correlated to logarithm of ∑DP concentrations in the kingfishers (r(2) = 0.41, p < 0.0001). These results suggested that DP residue levels could influence its isomeric composition in the piscivorous bird. Copyright © 2012 Elsevier Ltd. All rights reserved.

Knowledge and Valorization of Historical Sites Through 3d Documentation and Modeling

NASA Astrophysics Data System (ADS)

Farella, E.; Menna, F.; Nocerino, E.; Morabito, D.; Remondino, F.; Campi, M.

2016-06-01

The paper presents the first results of an interdisciplinary project related to the 3D documentation, dissemination, valorization and digital access of archeological sites. Beside the mere 3D documentation aim, the project has two goals: (i) to easily explore and share via web references and results of the interdisciplinary work, including the interpretative process and the final reconstruction of the remains; (ii) to promote and valorize archaeological areas using reality-based 3D data and Virtual Reality devices. This method has been verified on the ruins of the archeological site of Pausilypon, a maritime villa of Roman period (Naples, Italy). Using Unity3D, the virtual tour of the heritage site was integrated and enriched with the surveyed 3D data, text documents, CAAD reconstruction hypotheses, drawings, photos, etc. In this way, starting from the actual appearance of the ruins (panoramic images), passing through the 3D digital surveying models and several other historical information, the user is able to access virtual contents and reconstructed scenarios, all in a single virtual, interactive and immersive environment. These contents and scenarios allow to derive documentation and geometrical information, understand the site, perform analyses, see interpretative processes, communicate historical information and valorize the heritage location.

A Multivariate Approach for Comparing and Classifying Streamwater Quality

NASA Astrophysics Data System (ADS)

Hooper, R. P.; McGlynn, B. L.; Hjerdt, K. N.; McDonnell, J. J.

2001-05-01

Few measures exist for objectively comparing the chemistry of streams. We develop a multivariate technique, based on an eigenvalue analysis of streamwater concentrations, to facilitate comparison of water quality among sites across basin scales. A correlation matrix is constructed to include only solutes that mix conservatively. An eigenvalue analysis of this matrix is performed at each site to determine the approximate rank of the data set. If the ranks of all sites are roughly equal, one site is chosen as the reference site. The reduced set of eigenvectors from this site is chosen as the basis for a new, lower dimensional coordinate system and the data from the other sites are projected into this coordinate system. To assess the relative orientation of data from the reference site to all of the other sites, the relative bias (RB) and relative root mean square error (RRMSE) are calculated between the original and the projected points. The new technique was applied to multiple sites within three experimental watersheds to assess the consistency of water quality across the basin scale. The three watersheds were: Panola Mountain, Georgia, USA (6 solutes, 8 sites, 3 to 1000 ha); Sleepers River, Vermont, USA (5 solutes, 7 sites, 3 to 840 ha); and Maimai, South Island, New Zealand (4 solutes, 4 sites, 3 to 300 ha). Data from all sites were roughly planar with the first two eigenvectors explaining more than 90% of the variation. The RRMSEs for the reference site were generally between 5 and 10% with <0.1% RB. At Maimai, the RRMSE was roughly equivalent between the test sites and the 17-ha reference site, 5-8%; the RB was less than 4% at all sites. At Sleepers River, Ca and Mg had larger RRMSE at smaller basins relative to the 41 ha reference site; there was no consistent pattern to the RB for these solutes. Mg, Na, and SiO2 exhibited larger RRMSE (10-20%) and had substantial bias (10%, -20%, and 10%, respectively) at the 840-ha site compared with the 41-ha site. At Panola, only the 17-ha site was similar to the 41-ha reference site in RRMSE and had an RB<10%. The 8-ha site had an RRMSE about twice that of the reference site; Ca exhibited a 20% RB and Mg, -16% RB. All other sites had RRMSEs and RBs greater than 50% for at least one solute. These results indicate that the same set of processes control stream chemistry across a broad range of basin scales at Maimai, but that different processes are expressed at different scales to some extent at Sleepers River and more strongly at Panola Mountain. We hypothesize that this gradient reflects the relatively short residence time in the wetter Maimai basins and the progressively longer residence time in the drier Sleepers River and Panola basins. This new multivariate approach may be a way to objectively sort and classify stream chemistry characteristics from diverse watersheds and across basin scales.

Relationship between Hot Spot Residues and Ligand Binding Hot Spots in Protein-Protein Interfaces

PubMed Central

Zerbe, Brandon S.; Hall, David R.

2013-01-01

In the context of protein-protein interactions, the term “hot spot” refers to a residue or cluster of residues that makes a major contribution to the binding free energy, as determined by alanine scanning mutagenesis. In contrast, in pharmaceutical research a hot spot is a site on a target protein that has high propensity for ligand binding and hence is potentially important for drug discovery. Here we examine the relationship between these two hot spot concepts by comparing alanine scanning data for a set of 15 proteins with results from mapping the protein surfaces for sites that can bind fragment-sized small molecules. We find the two types of hot spots are largely complementary; the residues protruding into hot spot regions identified by computational mapping or experimental fragment screening are almost always themselves hot spot residues as defined by alanine scanning experiments. Conversely, a residue that is found by alanine scanning to contribute little to binding rarely interacts with hot spot regions on the partner protein identified by fragment mapping. In spite of the strong correlation between the two hot spot concepts, they fundamentally differ, however. In particular, while identification of a hot spot by alanine scanning establishes the potential to generate substantial interaction energy with a binding partner, there are additional topological requirements to be a hot spot for small molecule binding. Hence, only a minority of hot spots identified by alanine scanning represent sites that are potentially useful for small inhibitor binding, and it is this subset that is identified by experimental or computational fragment screening. PMID:22770357

Relationship between hot spot residues and ligand binding hot spots in protein-protein interfaces.

PubMed

Zerbe, Brandon S; Hall, David R; Vajda, Sandor; Whitty, Adrian; Kozakov, Dima

2012-08-27

In the context of protein-protein interactions, the term "hot spot" refers to a residue or cluster of residues that makes a major contribution to the binding free energy, as determined by alanine scanning mutagenesis. In contrast, in pharmaceutical research, a hot spot is a site on a target protein that has high propensity for ligand binding and hence is potentially important for drug discovery. Here we examine the relationship between these two hot spot concepts by comparing alanine scanning data for a set of 15 proteins with results from mapping the protein surfaces for sites that can bind fragment-sized small molecules. We find the two types of hot spots are largely complementary; the residues protruding into hot spot regions identified by computational mapping or experimental fragment screening are almost always themselves hot spot residues as defined by alanine scanning experiments. Conversely, a residue that is found by alanine scanning to contribute little to binding rarely interacts with hot spot regions on the partner protein identified by fragment mapping. In spite of the strong correlation between the two hot spot concepts, they fundamentally differ, however. In particular, while identification of a hot spot by alanine scanning establishes the potential to generate substantial interaction energy with a binding partner, there are additional topological requirements to be a hot spot for small molecule binding. Hence, only a minority of hot spots identified by alanine scanning represent sites that are potentially useful for small inhibitor binding, and it is this subset that is identified by experimental or computational fragment screening.

Properties of a soft-core model of methanol: An integral equation theory and computer simulation study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huš, Matej; Urbic, Tomaz, E-mail: tomaz.urbic@fkkt.uni-lj.si; Munaò, Gianmarco

Thermodynamic and structural properties of a coarse-grained model of methanol are examined by Monte Carlo simulations and reference interaction site model (RISM) integral equation theory. Methanol particles are described as dimers formed from an apolar Lennard-Jones sphere, mimicking the methyl group, and a sphere with a core-softened potential as the hydroxyl group. Different closure approximations of the RISM theory are compared and discussed. The liquid structure of methanol is investigated by calculating site-site radial distribution functions and static structure factors for a wide range of temperatures and densities. Results obtained show a good agreement between RISM and Monte Carlo simulations.more » The phase behavior of methanol is investigated by employing different thermodynamic routes for the calculation of the RISM free energy, drawing gas-liquid coexistence curves that match the simulation data. Preliminary indications for a putative second critical point between two different liquid phases of methanol are also discussed.« less

An evaluation of the distribution of sexual references among "Top 8" MySpace friends.

PubMed

Moreno, Megan A; Brockman, Libby; Rogers, Cara B; Christakis, Dimitri A

2010-10-01

To evaluate whether online friends of adolescents who display sexual references on a social networking site also display references. The method used was content analysis. The result of this study was that adolescents who displayed explicit sexual references were more likely to have online friends who displayed references. Thus, social networking sites present new opportunities to investigate adolescent sexual behavior. Copyright © 2010 Society for Adolescent Health and Medicine. Published by Elsevier Inc. All rights reserved.

An Evaluation Instrument for Internet Web Sites.

ERIC Educational Resources Information Center

Livengood, Stephanie Plank

This paper describes the creation of a comprehensive evaluation tool for reference librarians in adult service divisions to use in selecting World Wide Web sites as reference sources. Traditional evaluation criteria, endorsed and applied by librarians over the years, are not sufficient for the evaluation of today's hypermedia web site environment.…

Effect of attractive interactions between polymers on the effective force acting between colloids immersed in a polymer system: Analytic liquid-state theory.

PubMed

Chervanyov, A I

2016-12-28

By making use of the polymer reference interaction site model, we analytically study the effect of attractive interactions between polymers on the effective forces acting between colloids immersed in a polymer system. The performed theoretical analysis has no restrictions with respect to the polymer density and relative sizes of the colloids and polymers. The polymer mediated (PM) potential acting between colloids is shown to significantly depend on the strength and range of the polymer-polymer interactions. In the nano-particle limit, where the colloid radius is much smaller than the polymer gyration radius, the presence of attractive polymer-polymer interactions causes only quantitative changes to the PM potential. In the opposite limit of relatively large colloids, the polymer-polymer interactions revert the sign of the total effective force acting between colloids so that this force becomes attractive at sufficiently large polymer densities. With the objective to study an intricate interplay between the attractive PM forces and steric repulsion in different polymer density regimes, we calculate the second virial coefficient B of the total effective potential acting between colloids. The dependence of B on the polymer density is discussed in detail, revealing several novel features of the PM interactions caused by the presence of attractive polymer-polymer interactions.

Radiopharmaceuticals drug interactions: a critical review.

PubMed

Santos-Oliveira, Ralph; Smith, Sheila W; Carneiro-Leão, Ana Maria A

2008-12-01

Radiopharmaceuticals play a critical role in modern medicine primarily for diagnostic purposes, but also for monitoring disease progression and response to treatment. As the use of image has been increased, so has the use of prescription medications. These trends increase the risk of interactions between medications and radiopharmaceuticals. These interactions which have an impact on image by competing with the radiopharmaceutical for binding sites for example can lead to false negative results. Drugs that accelerate the metabolism of the radiopharmaceutical can have a positive impact (i.e. speeding its clearance) or, if repeating image is needed, a negative impact. In some cases, for example in cardiac image among patients taking doxirubacin, these interactions may have a therapeutic benefit. The incidence of drug-radiopharmaceuticals adverse reactions is unknown, since they may not be reported or even recognized. Here,we compiled the medical literature, using the criteria of a systematic review established by the Cochrane Collaboration, on pharmaceutical-drug interactions to provide a summary of documented interactions by organ system and radiopharmaceuticals. The purpose is to provide a reference on drug interactions that could inform the nuclear medicine staff in their daily routine. Efforts to increase adverse event reporting, and ideally consolidate reports worldwide, can provide a critically needed resource for prevention of drug-radiopharmaceuticals interactions.

Memory systems interaction in the pigeon: working and reference memory.

PubMed

Roberts, William A; Strang, Caroline; Macpherson, Krista

2015-04-01

Pigeons' performance on a working memory task, symbolic delayed matching-to-sample, was used to examine the interaction between working memory and reference memory. Reference memory was established by training pigeons to discriminate between the comparison cues used in delayed matching as S+ and S- stimuli. Delayed matching retention tests then measured accuracy when working and reference memory were congruent and incongruent. In 4 experiments, it was shown that the interaction between working and reference memory is reciprocal: Strengthening either type of memory leads to a decrease in the influence of the other type of memory. A process dissociation procedure analysis of the data from Experiment 4 showed independence of working and reference memory, and a model of working memory and reference memory interaction was shown to predict the findings reported in the 4 experiments. (PsycINFO Database Record (c) 2015 APA, all rights reserved).

Composition and structure of managed pine stands compared to reference longleaf pine sites on Marine Corps Base Camp Lejeune, North Carolina

Treesearch

Joan L. Walker; Andrea M. Silletti; Susan Cohen

2010-01-01

We sampled the ground layer of 28 pine plantations to compare with ecological reference sites at Marine Corps Base, Camp Lejeune (MCBCL), NC. Plantations were ≥ 18 years old and had been burned within the previous year. Pines had been hand-planted on beds or fl at-planted, and the plantations were burned every 3 to 4 years after age 7. Data from 39 reference sites were...

The Problem Patron and the Academic Library Web Site as Virtual Reference Desk.

ERIC Educational Resources Information Center

Taylor, Daniel; Porter, George S.

2002-01-01

Considers problem library patrons in a virtual environment based on experiences at California Institute of Technology's Web site and its use for virtual reference. Discusses the virtual reference desk concept; global visibility and access to the World Wide Web; problematic email; and advantages in the electronic environment. (LRW)

Indicators of immunotoxicity in populations of cotton rats (Sigmodon hispidus) inhabiting an abandoned oil refinery.

PubMed

McMurry, S T; Lochmiller, R L; McBee, K; Qualls, C W

1999-03-01

Wildlife species inhabiting contaminated sites are often exposed to complex mixtures of chemicals, many of which have known effects on physiological and biochemical function. Although sensitivity of the immune system to chemical exposure has been documented in laboratory animal and wildlife species, little work has been conducted on feral wildlife populations inhabiting contaminated sites. Immune function was measured in populations of wild cotton rats (Sigmodon hispidus) inhabiting replicated reference and contaminated study sites at an abandoned oil refinery in Oklahoma four times from 1991 to 1992. Several measures of immunocompetence were examined including immune organ mass and cellularity, hematology, in vivo hypersensitivity, macrophage function, killer cell activity, and lymphoproliferative responsiveness. In vitro proliferation of splenocytes, either spontaneous or induced with concanavalin A (Con A), was the most consistent and reliable indicator of immunotoxicity. Spontaneous proliferation of splenocytes was 48 and 24% higher for cotton rats collected from contaminated than reference sites in September 1991 and September 1992, respectively. Likewise, Con A-induced proliferation of splenocytes ranged form 20 to 53% higher in animals collected from contaminated than reference sites in three of four collection periods. The percentage of splenocytes (mean+/-SE) staining positive for Con A receptors was lower on contaminated sites (73.7+/-1.2%) than reference sites (77.0+/-1.4%) in September 1991. Other measures of immune function including macrophage metabolism, hypersensitivity, blood cellularity, and mass and cellularity of immune organs varied between contaminated and reference sites. Copyright 1999 Academic Press.

Establish an automated flow injection ESI-MS method for the screening of fragment based libraries: Application to Hsp90.

PubMed

Riccardi Sirtori, Federico; Caronni, Dannica; Colombo, Maristella; Dalvit, Claudio; Paolucci, Mauro; Regazzoni, Luca; Visco, Carlo; Fogliatto, Gianpaolo

2015-08-30

ESI-MS is a well established technique for the study of biopolymers (nucleic acids, proteins) and their non covalent adducts, due to its capacity to detect ligand-target complexes in the gas phase and allows inference of ligand-target binding in solution. In this article we used this approach to investigate the interaction of ligands to the Heat Shock Protein 90 (Hsp90). This enzyme is a molecular chaperone involved in the folding and maturation of several proteins which has been subjected in the last years to intensive drug discovery efforts due to its key role in cancer. In particular, reference compounds, with a broad range of dissociation constants from 40pM to 100μM, were tested to assess the reliability of ESI-MS for the study of protein-ligand complexes. A good agreement was found between the values measured with a fluorescence polarization displacement assay and those determined by mass spectrometry. After this validation step we describe the setup of a medium throughput screening method, based on ESI-MS, suitable to explore interactions of therapeutic relevance biopolymers with chemical libraries. Our approach is based on an automated flow injection ESI-MS method (AFI-MS) and has been applied to screen the Nerviano Medical Sciences proprietary fragment library of about 2000 fragments against Hsp90. In order to discard false positive hits and to discriminate those of them interacting with the N-terminal ATP binding site, competition experiments were performed using a reference inhibitor. Gratifyingly, this group of hits matches with the ligands previously identified by NMR FAXS techniques and confirmed by X-ray co-crystallization experiments. These results support the use of AFI-MS for the screening of medium size libraries, including libraries of small molecules with low affinity typically used in fragment based drug discovery. AFI-MS is a valid alternative to other techniques with the additional opportunities to identify compounds interacting with unpredicted or allosteric sites, without the need of any binding probes. Copyright © 2015 Elsevier B.V. All rights reserved.

Flavonoids-Rich Orthosiphon stamineus Extract as New Candidate for Angiotensin I-Converting Enzyme Inhibition: A Molecular Docking Study.

PubMed

Shafaei, Armaghan; Sultan Khan, Md Shamsuddin; F A Aisha, Abdalrahim; Abdul Majid, Amin Malik Shah; Hamdan, Mohammad Razak; Mordi, Mohd Nizam; Ismail, Zhari

2016-11-09

This study aims to evaluate the in vitro angiotensin-converting enzyme (ACE) inhibition activity of different extracts of Orthosiphon stamineus (OS) leaves and their main flavonoids, namely rosmarinic acid (RA), sinensetin (SIN), eupatorin (EUP) and 3'-hydroxy-5,6,7,4'-tetramethoxyflavone (TMF). Furthermore, to identify possible mechanisms of action based on structure-activity relationships and molecular docking. The in vitro ACE inhibition activity relied on determining hippuric acid (HA) formation from ACE-specific substrate (hippuryl-histidyl-leucine (HHL)) by the action of ACE enzyme. A High Performance Liquid Chromatography method combined with UV detection was developed and validated for measurement the concentration of produced HA. The chelation ability of OS extract and its reference compounds was evaluated by tetramethylmurexide reagent. Furthermore, molecular docking study was performed by LeadIT-FlexX : BioSolveIT's LeadIT program. OS ethanolic extract (OS-E) exhibited highest inhibition and lowest IC 50 value (45.77 ± 1.17 µg/mL) against ACE compared to the other extracts. Among the tested reference compounds, EUP with IC 50 15.35 ± 4.49 µg/mL had highest inhibition against ACE and binding ability with Zn (II) (56.03% ± 1.26%) compared to RA, TMF and SIN. Molecular docking studies also confirmed that flavonoids inhibit ACE via interaction with the zinc ion and this interaction is stabilized by other interactions with amino acids in the active site. In this study, we have demonstrated that changes in flavonoids active core affect their capacity to inhibit ACE. Moreover, we showed that ACE inhibition activity of flavonoids compounds is directly related to their ability to bind with zinc ion in the active site of ACE enzyme. It was also revealed that OS extract contained high amount of flavonoids other than RA, TMF, SIN and EUP. As such, application of OS extract is useful as inhibitors of ACE.

THE CONCEPT OF REFERENCE CONDITION, REVISITED ...

EPA Pesticide Factsheets

Ecological assessments of aquatic ecosystems depend on the ability to compare current conditions against some expectation of how they could be in the absence of significant human disturbance. The concept of a ‘‘reference condition’’ is often used to describe the standard or benchmark against which current condition is compared. If assessments are to be conducted consistently, then a common understanding of the definitions and complications of reference condition is necessary. A 2006 paper (Stoddard et al., 2006, Ecological Applications 16:1267-1276) made an early attempt at codifying the reference condition concept; in this presentation we will revisit the points raised in that paper (and others) and examine how our thinking has changed in a little over 10 years.Among the issues to be discussed: (1) the “moving target” created when reference site data are used to set thresholds in large scale assessments; (2) natural vs. human disturbance and their effects on reference site distributions; (3) circularity and the use of biological data to assist in reference site identification; (4) using site-scale (in-stream or in-lake) measurements vs. landscape-level human activity to identify reference conditions. Ecological assessments of aquatic ecosystems depend on the ability to compare current conditions against some expectation of how they could be in the absence of significant human disturbance. The concept of a ‘‘reference condition’’ is often use

Lie algebraic similarity transformed Hamiltonians for lattice model systems

NASA Astrophysics Data System (ADS)

Wahlen-Strothman, Jacob M.; Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.; Scuseria, Gustavo E.

2015-01-01

We present a class of Lie algebraic similarity transformations generated by exponentials of two-body on-site Hermitian operators whose Hausdorff series can be summed exactly without truncation. The correlators are defined over the entire lattice and include the Gutzwiller factor ni ↑ni ↓ , and two-site products of density (ni ↑+ni ↓) and spin (ni ↑-ni ↓) operators. The resulting non-Hermitian many-body Hamiltonian can be solved in a biorthogonal mean-field approach with polynomial computational cost. The proposed similarity transformation generates locally weighted orbital transformations of the reference determinant. Although the energy of the model is unbound, projective equations in the spirit of coupled cluster theory lead to well-defined solutions. The theory is tested on the one- and two-dimensional repulsive Hubbard model where it yields accurate results for small and medium sized interaction strengths.

Like mother, like offspring: maternal and offspring wound healing correlate in snakes.

PubMed

Hopkins, Brittney C; Chin, Stephanie Y; Willson, John D; Hopkins, William A

2013-07-15

Immune function early in life can be influenced by parental effects and the environment, but it remains unclear how these two factors may interact to influence immunocompetence. We evaluated maternal and environmental contributions to offspring healing ability in a viviparous reptile, the northern watersnake (Nerodia sipedon). We measured wound healing rates, a highly integrative and biologically relevant measure of innate immunity, of females and their offspring collected from sites contaminated with a toxic heavy metal and compared them with those of individuals from reference sites. We found that female watersnakes that healed the fastest produced offspring that also exhibited faster healing rates. However, we detected no influence of environmental pollution on maternal or offspring healing rates. To our knowledge, our study is the first to correlate maternal and offspring wound healing ability in a wild vertebrate.

Biomonitoring of lead, zinc, and cadmium in streams draining lead-mining and non-mining areas, Southeast Missouri, USA

USGS Publications Warehouse

Besser, John M.; Brumbaugh, William G.; May, Thomas W.; Schmitt, Christopher J.

2007-01-01

We evaluated exposure of aquatic biota to lead (Pb), zinc (Zn), and cadmium (Cd) in streams draining a Pb-mining district in southeast Missouri. Samples of plant biomass (detritus, periphyton, and filamentous algae), invertebrates (snails, crayfish, and riffle benthos), and two taxa of fish were collected from seven sites closest to mining areas (mining sites), four sites further downstream from mining (downstream sites), and eight reference sites in fall 2001. Samples of plant biomass from mining sites had highest metal concentrations, with means 10- to 60-times greater than those for reference sites. Mean metal concentrations in over 90% of samples of plant biomass from mining sites were significantly greater than those from reference sites. Mean concentrations of Pb, Zn, and Cd in most invertebrate samples from mining sites, and mean Pb concentrations in most fish samples from mining sites, were also significantly greater than those from reference sites. Concentrations of all three metals were lower in samples from downstream sites, but several samples of plant biomass from downstream sites had metal concentrations significantly greater than those from reference sites. Analysis of supplemental samples collected in the fall of 2002, a year of above-average stream discharge, had lower Pb concentrations and higher Cd concentrations than samples collected in 2001, near the end of a multi-year drought. Concentrations of Pb measured in fish and invertebrates collected from mining sites during 2001 and 2002 were similar to those measured at nearby sites in the 1970s, during the early years of mining in the Viburnum Trend. Results of this study demonstrate that long-term Pb mining activity in southeast Missouri has resulted in significantly elevated concentrations of Pb, Cd, and Zn in biota of receiving streams, compared to biota of similar streams without direct influence of mining. Our results also demonstrate that metal exposure in the study area differed significantly among sample types, habitats, and years, and that these factors should be carefully considered in the design of biomonitoring studies.

Biomonitoring of lead, zinc, and cadmium in streams draining lead-mining and non-mining areas, Southeast Missouri, USA

USGS Publications Warehouse

Besser, J.M.; Brumbaugh, W.G.; May, T.W.; Schmitt, C.J.

2007-01-01

We evaluated exposure of aquatic biota to lead (Pb), zinc (Zn), and cadmium (Cd) in streams draining a Pb-mining district in southeast Missouri. Samples of plant biomass (detritus, periphyton, and filamentous algae), invertebrates (snails, crayfish, and riffle benthos), and two taxa of fish were collected from seven sites closest to mining areas (mining sites), four sites further downstream from mining (downstream sites), and eight reference sites in fall 2001. Samples of plant biomass from mining sites had highest metal concentrations, with means 10- to 60-times greater than those for reference sites. Mean metal concentrations in over 90% of samples of plant biomass from mining sites were significantly greater than those from reference sites. Mean concentrations of Pb, Zn, and Cd in most invertebrate samples from mining sites, and mean Pb concentrations in most fish samples from mining sites, were also significantly greater than those from reference sites. Concentrations of all three metals were lower in samples from downstream sites, but several samples of plant biomass from downstream sites had metal concentrations significantly greater than those from reference sites. Analysis of supplemental samples collected in the fall of 2002, a year of above-average stream discharge, had lower Pb concentrations and higher Cd concentrations than samples collected in 2001, near the end of a multi-year drought. Concentrations of Pb measured in fish and invertebrates collected from mining sites during 2001 and 2002 were similar to those measured at nearby sites in the 1970s, during the early years of mining in the Viburnum Trend. Results of this study demonstrate that long-term Pb mining activity in southeast Missouri has resulted in significantly elevated concentrations of Pb, Cd, and Zn in biota of receiving streams, compared to biota of similar streams without direct influence of mining. Our results also demonstrate that metal exposure in the study area differed significantly among sample types, habitats, and years, and that these factors should be carefully considered in the design of biomonitoring studies. ?? Springer Science+Business Media B.V. 2006.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jewett, S.C.; Dean, T.A.

Injuries to the shallow subtidal eelgrass community were observed in the heavily oiled portions of Western Prince William Sound following the Exxon Valdez oil spill. High PAH concentrations were associated with observed differences in communities at oiled vs. reference sites. Dominant taxa within the eelgrass community, including infaunal amphipods, infaunal bivalves, helmet crabs, and leather stars were less abundant at oiled than at reference sites in 1990. Other taxa, including several families of opportunistic or stress-tolerant infaunal polychaetes and gastropods, epifaunal polychaetes and mussels, and small cod, were more abundant at oiled sites. By 1995, there was apparent recovery ofmore » most community constituents. However, not all taxa had recovered fully. Some evidence of slight hydrocarbon contamination still existed at some sites, and three infaunal bivalves, two amphipods, a crab, and a sea star were still more abundant at reference sites than at oiled sites.« less

Computer-aided prediction of xenobiotic metabolism in the human body

NASA Astrophysics Data System (ADS)

Bezhentsev, V. M.; Tarasova, O. A.; Dmitriev, A. V.; Rudik, A. V.; Lagunin, A. A.; Filimonov, D. A.; Poroikov, V. V.

2016-08-01

The review describes the major databases containing information about the metabolism of xenobiotics, including data on drug metabolism, metabolic enzymes, schemes of biotransformation and the structures of some substrates and metabolites. Computational approaches used to predict the interaction of xenobiotics with metabolic enzymes, prediction of metabolic sites in the molecule, generation of structures of potential metabolites for subsequent evaluation of their properties are considered. The advantages and limitations of various computational methods for metabolism prediction and the prospects for their applications to improve the safety and efficacy of new drugs are discussed. Bibliography — 165 references.

Autonomous multispecies reaction-diffusion systems with more-than-two-site interactions

NASA Astrophysics Data System (ADS)

Shariati, Ahmad; Aghamohammadi, Amir; Khorrami, Mohammad

2001-12-01

Autonomous multispecies systems with more-than-two-neighbor interactions are studied. Conditions necessary and sufficient for the closedness of the evolution equations of the n-point functions are obtained. The average numbers of the particles at each site for one species and three-site interactions, and its generalization to the more-than-three-site interactions, are explicitly obtained. Generalizations of the Glauber model in different directions, using generalized rates, generalized numbers of states at each site, and generalized numbers of interacting sites, are also investigated.

Prediction of TF target sites based on atomistic models of protein-DNA complexes

PubMed Central

Angarica, Vladimir Espinosa; Pérez, Abel González; Vasconcelos, Ana T; Collado-Vides, Julio; Contreras-Moreira, Bruno

2008-01-01

Background The specific recognition of genomic cis-regulatory elements by transcription factors (TFs) plays an essential role in the regulation of coordinated gene expression. Studying the mechanisms determining binding specificity in protein-DNA interactions is thus an important goal. Most current approaches for modeling TF specific recognition rely on the knowledge of large sets of cognate target sites and consider only the information contained in their primary sequence. Results Here we describe a structure-based methodology for predicting sequence motifs starting from the coordinates of a TF-DNA complex. Our algorithm combines information regarding the direct and indirect readout of DNA into an atomistic statistical model, which is used to estimate the interaction potential. We first measure the ability of our method to correctly estimate the binding specificities of eight prokaryotic and eukaryotic TFs that belong to different structural superfamilies. Secondly, the method is applied to two homology models, finding that sampling of interface side-chain rotamers remarkably improves the results. Thirdly, the algorithm is compared with a reference structural method based on contact counts, obtaining comparable predictions for the experimental complexes and more accurate sequence motifs for the homology models. Conclusion Our results demonstrate that atomic-detail structural information can be feasibly used to predict TF binding sites. The computational method presented here is universal and might be applied to other systems involving protein-DNA recognition. PMID:18922190

Test of tree core sampling for screening of toxic elements in soils from a Norwegian site.

PubMed

Algreen, Mette; Rein, Arno; Legind, Charlotte N; Amundsen, Carl Einar; Karlson, Ulrich Gosewinkel; Trapp, Stefan

2012-04-01

Tree core samples have been used to delineate organic subsurface plumes. In 2009 and 2010, samples were taken at trees growing on a former dump site in Norway and analyzed for arsenic (As), cadmium (Cd), chromium (Cr), copper (Cu), nickel (Ni), and zinc (Zn). Concentrations in wood were in averages (dw) 30 mg/kg for Zn, 2 mg/kg for Cu, and < 1 mg/kg for Cd, Cr, As and Ni. The concentrations in wood samples from the polluted test site were compared to those derived from a reference site. For all except one case, mean concentrations from the test site were higher than those from the reference site, but the difference was small and not always significant. Differences between tree species were usually higher than differences between reference and test site. Furthermore, all these elements occur naturally, and Cu, Ni, and Zn are essential minerals. Thus, all trees will have a natural background of these elements, and the occurrence alone does not indicate soil pollution. For the interpretation of the results, a comparison to wood samples from an unpolluted reference site with same species and similar soil conditions is required. This makes the tree core screening method less reliable for heavy metals than, e.g., for chlorinated solvents.

Image Reference Database in Teleradiology: Migrating to WWW

NASA Astrophysics Data System (ADS)

Pasqui, Valdo

The paper presents a multimedia Image Reference Data Base (IRDB) used in Teleradiology. The application was developed at the University of Florence in the framework of the European Community TELEMED Project. TELEMED overall goals and IRDB requirements are outlined and the resulting architecture is described. IRDB is a multisite database containing radiological images, selected because their scientific interest, and their related information. The architecture consists of a set of IRDB Installations which are accessed from Viewing Stations (VS) located at different medical sites. The interaction between VS and IRDB Installations follows the client-server paradigm and uses an OSI level-7 protocol, named Telemed Communication Language. After reviewing Florence prototype implementation and experimentation, IRDB migration to World Wide Web (WWW) is discussed. A possible scenery to implement IRDB on the basis of WWW model is depicted in order to exploit WWW servers and browsers capabilities. Finally, the advantages of this conversion are outlined.

The impact of supernova fragments on the evolution of multisupernova remnants

NASA Technical Reports Server (NTRS)

Franco, J.; Ferrara, A.; Rozyczka, M.; Tenorio-Tgale, G.; Cox, D. P.

1993-01-01

Analytical approximations and 2D hydrodynamical simulations are used to examine the interaction of supernova fragments with the internal structure of large multisupernova remnants (MSRs). The fragments are thermalized by reverse shocks generated in the interaction with the MSR interior, which is assumed to be hot and rarefied. The evolution is divided into two stages: before and after reaching a reference distance, R(E), from the explosion site. As the density of the expanding fragment drops, the reverse shock accelerates, and, when the distance R(E) is reached, it begins to effectively erode the fragment. At some selected evolutionary times, the X-ray emission from the shocked fragment is also calculated. The direct bombardment of the MRS shell by the shocked fragment has a series of important consequences: it excites, punctures, and deforms the expanding shell.

Shin splints--a review of terminology.

PubMed

Batt, M E

1995-01-01

This review is intended to improve the understanding of and rationale for the use of the term shin splints. Currently the term is used widely and variably, with little consensus of definition. Broadly, it denotes the occurrence of exertional lower leg pain; more specifically, it refers to an anatomical site of periostitis. The literature reports a multiplicity of descriptions and definitions of shin splints resultant from the complex etiologies and differing perceptions of these conditions. It is proposed that the term shin splint be recognized as generic, rather than diagnostic, and that specific conditions that currently exist under this term be differentiated. The etiology and interaction of these related conditions are considered, and a classification based on the current literature is given of conditions currently termed shin splints, providing a rationale for their clinical presentations, investigative findings, and interactions.

Coarse-Grained Models for Automated Fragmentation and Parametrization of Molecular Databases.

PubMed

Fraaije, Johannes G E M; van Male, Jan; Becherer, Paul; Serral Gracià, Rubèn

2016-12-27

We calibrate coarse-grained interaction potentials suitable for screening large data sets in top-down fashion. Three new algorithms are introduced: (i) automated decomposition of molecules into coarse-grained units (fragmentation); (ii) Coarse-Grained Reference Interaction Site Model-Hypernetted Chain (CG RISM-HNC) as an intermediate proxy for dissipative particle dynamics (DPD); and (iii) a simple top-down coarse-grained interaction potential/model based on activity coefficient theories from engineering (using COSMO-RS). We find that the fragment distribution follows Zipf and Heaps scaling laws. The accuracy in Gibbs energy of mixing calculations is a few tenths of a kilocalorie per mole. As a final proof of principle, we use full coarse-grained sampling through DPD thermodynamics integration to calculate log P OW for 4627 compounds with an average error of 0.84 log unit. The computational speeds per calculation are a few seconds for CG RISM-HNC and a few minutes for DPD thermodynamic integration.

Qualitative Analysis of Commercial Social Network Profiles

NASA Astrophysics Data System (ADS)

Melendez, Lester; Wolfson, Ouri; Adjouadi, Malek; Rishe, Naphtali

Social-networking sites have become an integral part of many users' daily internet routine. Commercial enterprises have been quick to recognize this and are subsequently creating profiles for many of their products and services. Commercial enterprises use social network profiles to target and interact with potential customers as well as to provide a gateway for users of the product or service to interact with each other. Many commercial enterprises use the statistics from their product or service's social network profile to tout the popularity and success of the product or service being showcased. They will use statistics such as number of friends, number of daily visits, number of interactions, and other similar measurements to quantify their claims. These statistics are often not a clear indication of the true popularity and success of the product. In this chapter the term product is used to refer to any tangible or intangible product, service, celebrity, personality, film, book, or other entity produced by a commercial enterprise.

Multi-scale structural community organisation of the human genome.

PubMed

Boulos, Rasha E; Tremblay, Nicolas; Arneodo, Alain; Borgnat, Pierre; Audit, Benjamin

2017-04-11

Structural interaction frequency matrices between all genome loci are now experimentally achievable thanks to high-throughput chromosome conformation capture technologies. This ensues a new methodological challenge for computational biology which consists in objectively extracting from these data the structural motifs characteristic of genome organisation. We deployed the fast multi-scale community mining algorithm based on spectral graph wavelets to characterise the networks of intra-chromosomal interactions in human cell lines. We observed that there exist structural domains of all sizes up to chromosome length and demonstrated that the set of structural communities forms a hierarchy of chromosome segments. Hence, at all scales, chromosome folding predominantly involves interactions between neighbouring sites rather than the formation of links between distant loci. Multi-scale structural decomposition of human chromosomes provides an original framework to question structural organisation and its relationship to functional regulation across the scales. By construction the proposed methodology is independent of the precise assembly of the reference genome and is thus directly applicable to genomes whose assembly is not fully determined.

Sediment Transport and Infilling of a Borrow Pit on an Energetic Sandy Ebb Tidal Delta Offshore of Hilton Head Island, South Carolina

NASA Astrophysics Data System (ADS)

Wren, A.; Xu, K.; Ma, Y.; Sanger, D.; Van Dolah, R.

2014-12-01

Bottom-mounted instrumentation was deployed at two sites on an ebb tidal delta to measure hydrodynamics, sediment transport, and seabed elevation. One site ('borrow site') was 2 km offshore and used as a dredging site for beach nourishment of nearby Hilton Head Island in South Carolina, and the other site ('reference site') was 10 km offshore and not directly impacted by the dredging. In-situ time-series data were collected during two periods after the dredging: March 15 - June 12, 2012('spring') and August 18 - November 18, 2012 ('fall'). At the reference site directional wave spectra and upper water column current velocities were measured, as well as high-resolution current velocity profiles and suspended sediment concentration profiles in the Bottom Boundary Layer (BBL). Seabed elevation and small-scale seabed changes were also measured. At the borrow site seabed elevation and near-bed wave and current velocities were collected using an Acoustic Doppler Velocimeter. Throughout both deployments bottom wave orbital velocities ranged from 0 - 110 m/s at the reference site. Wave orbital velocities were much lower at the borrow site ranging from 10-20 cm/s, as wave energy was dissipated on the extensive and rough sand banks before reaching the borrow site. Suspended sediment concentrations increased throughout the BBL when orbital velocities increased to approximately 20 cm/s. Sediment grain size and critical shear stresses were similar at both sites, therefore, re-suspension due to waves was less frequent at the borrow site. However, sediment concentrations were highly correlated with the tidal cycle at both sites. Semidiurnal tidal currents were similar at the two sites, typically ranging from 0 - 50 cm/s in the BBL. Maximum currents exceeded the critical shear stress and measured suspended sediment concentrations increased during the first hours of the tidal cycle when the tide switched to flood tide. Results indicate waves contributed more to sediment mobility at the reference site, while tidal forcing was the dominant factor at the borrow site. The seabed elevation data corraborates these results as active migrating ripples of 10 cm were measured at the reference site, while changes in seabed elevation at the borrow site were more gradual with approximately 30 cm of net accretion throughout the study.

Effects of historical lead–zinc mining on riffle-dwelling benthic fish and crayfish in the Big River of southeastern Missouri, USA

USGS Publications Warehouse

Allert, A.L.; DiStefano, R.J.; Fairchild, J.F.; Schmitt, C.J.; McKee, M.J.; Girondo, J.A.; Brumbaugh, W.G.; May, T.W.

2013-01-01

The Big River (BGR) drains much of the Old Lead Belt mining district (OLB) in southeastern Missouri, USA, which was historically among the largest producers of lead–zinc (Pb–Zn) ore in the world. We sampled benthic fish and crayfish in riffle habitats at eight sites in the BGR and conducted 56-day in situ exposures to the woodland crayfish (Orconectes hylas) and golden crayfish (Orconectes luteus) in cages at four sites affected to differing degrees by mining. Densities of fish and crayfish, physical habitat and water quality, and the survival and growth of caged crayfish were examined at sites with no known upstream mining activities (i.e., reference sites) and at sites downstream of mining areas (i.e., mining and downstream sites). Lead, zinc, and cadmium were analyzed in surface and pore water, sediment, detritus, fish, crayfish, and other benthic macro-invertebrates. Metals concentrations in all materials analyzed were greater at mining and downstream sites than at reference sites. Ten species of fish and four species of crayfish were collected. Fish and crayfish densities were significantly greater at reference than mining or downstream sites, and densities were greater at downstream than mining sites. Survival of caged crayfish was significantly lower at mining sites than reference sites; downstream sites were not tested. Chronic toxic-unit scores and sediment probable effects quotients indicated significant risk of toxicity to fish and crayfish, and metals concentrations in crayfish were sufficiently high to represent a risk to wildlife at mining and downstream sites. Collectively, the results provided direct evidence that metals associated with historical mining activities in the OLB continue to affect aquatic life in the BGR.

The Role of Virtual Reference in Library Web Site Design: A Qualitative Source for Usage Data

ERIC Educational Resources Information Center

Powers, Amanda Clay; Shedd, Julie; Hill, Clay

2011-01-01

Gathering qualitative information about usage behavior of library Web sites is a time-consuming process requiring the active participation of patron communities. Libraries that collect virtual reference transcripts, however, hold valuable data regarding how the library Web site is used that could benefit Web designers. An analysis of virtual…

Effect of the band structure in a rigorous two-body model with long-range interactions in 1D optical lattices

NASA Astrophysics Data System (ADS)

Kristensen, Tom; Simoni, Andrea; Launay, Jean-Michel

2016-05-01

We compute scattering and bound state properties for two ultracold molecules in a pure 1D optical lattice. We introduce reference functions with complex quasi-momentum that naturally account for the effect of excited energy bands. Our exact results for a short-range interaction are first compared with the simplest version of the standard Bose-Hubbard (BH) model. Such comparison allows us to highlight the effect of the excited bands, of the non-on-site interaction and of tunneling with distant neighbor, that are not taken into account in the BH model. The effective interaction can depend strongly on the particle quasi-momenta and can present a resonant behavior even in a deep lattice. As a second step, we study scattering of two polar particles in the optical lattice. Peculiar Wigner threshold laws stem from the interplay of the long range dipolar interaction and the presence of the energy bands. We finally assess the validity of an extended Bose-Hubbard model for dipolar gases based on our exact two-body calculations. This work was supported by the Agence Nationale de la Recherche (Contract No. ANR-12-BS04-0020-01).

Genome-Wide Profiling of RNA–Protein Interactions Using CLIP-Seq

PubMed Central

Stork, Cheryl; Zheng, Sika

2017-01-01

UV crosslinking immunoprecipitation (CLIP) is an increasingly popular technique to study protein–RNA interactions in tissues and cells. Whole cells or tissues are ultraviolet irradiated to generate a covalent bond between RNA and proteins that are in close contact. After partial RNase digestion, antibodies specific to an RNA binding protein (RBP) or a protein–epitope tag is then used to immunoprecipitate the protein–RNA complexes. After stringent washing and gel separation the RBP–RNA complex is excised. The RBP is protease digested to allow purification of the bound RNA. Reverse transcription of the RNA followed by high-throughput sequencing of the cDNA library is now often used to identify protein bound RNA on a genome-wide scale. UV irradiation can result in cDNA truncations and/or mutations at the crosslink sites, which complicates the alignment of the sequencing library to the reference genome and the identification of the crosslinking sites. Meanwhile, one or more amino acids of a crosslinked RBP can remain attached to its bound RNA due to incomplete digestion of the protein. As a result, reverse transcriptase may not read through the crosslink sites, and produce cDNA ending at the crosslinked nucleotide. This is harnessed by one variant of CLIP methods to identify crosslinking sites at a nucleotide resolution. This method, individual nucleotide resolution CLIP (iCLIP) circularizes cDNA to capture the truncated cDNA and also increases the efficiency of ligating sequencing adapters to the library. Here, we describe the detailed procedure of iCLIP. PMID:26965263

Electro-cutaneous stimulation on the palm elicits referred sensations on intact but not on amputated digits

NASA Astrophysics Data System (ADS)

D'Alonzo, M.; Engels, L. F.; Controzzi, M.; Cipriani, C.

2018-02-01

Objective. Grasping and manipulation control critically depends on tactile feedback. Without this feedback, the ability for fine control of a prosthesis is limited in upper limb amputees. Early studies have shown that non-invasive electro-cutaneous stimulation (ES) can induce referred sensations that are spread to a wider and/or more distant area, with respect to the electrodes. Building on this, we sought to exploit this effect to provide somatotopically matched sensory feedback to people with partial hand (digital) amputations. Approach. For the first time, this work investigated the possibility of inducing referred sensations in the digits by activating the palmar nerves. Specifically, we electrically stimulated 18 sites on the palm of non-amputees to evaluate the effects of sites and stimulation parameters on modality, magnitude, and location of the evoked sensations. We performed similar tests with partial hand amputees by testing those sites that had most consistently elicited referred sensations in non-amputees. Main results. We demonstrated referred sensations in non-amputees from all stimulation sites in one form or another. Specifically, the stimulation of 16 of the 18 sites gave rise to reliable referred sensations. Amputees experienced referred sensations to unimpaired digits, just like non-amputees, but we were unable to evoke referred sensations in their missing digits: none of them reported sensations that extended beyond the tip of the stump. Significance. The possibility of eliciting referred sensations on the digits may be exploited in haptic systems for providing touch sensations without obstructing the fingertips or their movements. The study also suggests that the phenomenon of referred sensations through ES may not be exploited for partial hand prostheses, and it invites researchers to explore alternative approaches. Finally, the results seem to confirm previous studies suggesting that the stumps in partial hand amputees partially acquire the role of the missing fingertips, physiologically and cognitively.

Targeting ecosystem features for conservation: Standing crops in the Florida Everglades

USGS Publications Warehouse

Turner, A.M.; Trexler, J.C.; Jordan, C.F.; Slack, S.J.; Geddes, P.; Chick, J.H.; Loftus, W.F.

1999-01-01

The Everglades in southern Florida, U.S.A., is a major focus of conservation activities. The freshwater wetlands of the Everglades do not have high species richness, and no species of threatened aquatic animals or plants live there. We have, however, identified a distinctive ecological feature of the Everglades that is threatened by canal construction, draining, and nutrient enrichment from agricultural runoff compared to values reported from other freshwater systems, standing stocks of periphyton in relatively undisturbed areas of the Everglades were unusually high, and standing stocks of invertebrates and fish were unusually low. Averaging data gathered from nine sites and five sampling periods spanning I year, we found that periphyton standing crop was 88.2 g/m2 (ash-free dry mass), invertebrate standing stock was 0.64 g/m2 (dry mass), and fish standing stock was 1.2 g/m2 (dry mass of large and small species combined). We found that fish standing stocks were much higher in phosphorus-enriched sites than in nearby reference sites but that invertebrate standing stocks were similar in enriched and reference sites. Our results support the notion that oligotrophy is at least partially responsible for the low standing stocks of fish, but they also suggest that species interactions and a paucity of deep-water refugia are important. Anthropogenic eutrophication in Everglades marshes will lead to the loss of distinctive ecosystem features. A focus on species richness and 'hot spots' of threatened species provides no basis for conservation of ecosystems like the Everglades. If oligotrophic ecosystems often have low species richness, they will be underrepresented in preservation networks based on some common criteria for establishing conservation priorities.

Targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches.

PubMed

Rampogu, Shailima; Son, Minky; Baek, Ayoung; Park, Chanin; Rana, Rabia Mukthar; Zeb, Amir; Parameswaran, Saravanan; Lee, Keun Woo

2018-04-20

Human epidermal growth factor receptors are implicated in several types of cancers characterized by aberrant signal transduction. This family comprises of EGFR (ErbB1), HER2 (ErbB2, HER2/neu), HER3 (ErbB3), and HER4 (ErbB4). Amongst them, HER2 is associated with breast cancer and is one of the most valuable targets in addressing the breast cancer incidences. For the current investigation, we have performed 3D-QSAR based pharmacophore search for the identification of potential inhibitors against the kinase domain of HER2 protein. Correspondingly, a pharmacophore model, Hypo1, with four features was generated and was validated employing Fischer's randomization, test set method and the decoy test method. The validated pharmacophore was allowed to screen the colossal natural compounds database (UNPD). Subsequently, the identified 33 compounds were docked into the proteins active site along with the reference after subjecting them to ADMET and Lipinski's Rule of Five (RoF) employing the CDOCKER implemented on the Discovery Studio. The compounds that have displayed higher dock scores than the reference compound were scrutinized for interactions with the key residues and were escalated to MD simulations. Additionally, molecular dynamics simulations performed by GROMACS have rendered stable root mean square deviation values, radius of gyration and potential energy values. Eventually, based upon the molecular dock score, interactions between the ligands and the active site residues and the stable MD results, the number of Hits was culled to two identifying Hit1 and Hit2 has potential leads against HER2 breast cancers. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

Flow-sediment-oyster interaction around degraded, restored, and reference oyster reefs in Florida's Indian River Lagoon

NASA Astrophysics Data System (ADS)

Kitsikoudis, V.; Kibler, K. M.; Spiering, D. W.

2017-12-01

This study analyzes flow patterns and sediment distributions around three oyster reefs in a bar-built estuarine lagoon. We studied a degraded reef, a recently restored reef, and a reference condition reef with a healthy live oyster community. The restored reef had been regraded and restored with oyster shell mats to aid in recruitment of oyster spat, with the goal of reestablishing a healthy oyster community. Despite the fact that flow-biota-sediment interaction constitutes a blossoming research field, actual field data are sparse and current knowledge emanates from flume studies and numerical modeling. Moreover, the hydraulic effect of restored oyster reefs has not been thoroughly investigated and it is not clear if the flow field and sediment erosion/deposition are similar or diverge from natural reefs. Instantaneous three-dimensional flow velocities were collected on reefs using a Nortek Vectrino Profiler and an acoustic Doppler current profiler (Nortek Aquadopp). The former measured a 2 - 3 cm velocity profile above the oyster bed, while the latter quantified incoming velocities across the flow profile approximately 10 m from the edge of the reef. Flow measurements were conducted during rising tides and are coupled with simultaneous wind speed and direction data. In addition, 20 cm deep sediment cores were retrieved on and off the investigated reefs. Sediment grain size distributions were determined after individual cores were processed for loss on ignition. Incoming flow velocities were as high as 10 cm/s, relatively higher than those recorded close to reefs. Mean and turbulent flow velocities close to the reefs, varied among the investigated sites, despite the similar wind flow conditions offshore. For instance, the measurements at the degraded reef showed decreased wave attenuation and augmented flow velocities compared to the other sites. Boat wakes exhibited a very distinct signal in the flow velocity time-series and significantly increased the approaching flow velocity at the reefs. The oyster roughness height at the restored reef (68 mm) was higher than the roughness at the reference reef (45 mm); however, the variance was higher at the latter. Sediments from degraded reef and the recently restored reef were coarser and contained less organic matter compared to the reference condition reef.

Octasaccharide is the minimal length unit required for efficient binding of cyclophilin B to heparin and cell surface heparan sulphate.

PubMed

Vanpouille, Christophe; Denys, Agnès; Carpentier, Mathieu; Pakula, Rachel; Mazurier, Joël; Allain, Fabrice

2004-09-01

Cyclophilin B (CyPB) is a heparin-binding protein first identified as a receptor for cyclosporin A. In previous studies, we reported that CyPB triggers chemotaxis and integrin-mediated adhesion of T-lymphocytes by way of interaction with two types of binding sites. The first site corresponds to a signalling receptor; the second site has been identified as heparan sulphate (HS) and appears crucial to induce cell adhesion. Characterization of the HS-binding unit is critical to understand the requirement of HS in pro-adhesive activity of CyPB. By using a strategy based on gel mobility shift assays with fluorophore-labelled oligosaccharides, we demonstrated that the minimal heparin unit required for efficient binding of CyPB is an octasaccharide. The mutants CyPB(KKK-) [where KKK- refers to the substitutions K3A(Lys3-->Ala)/K4A/K5A] and CyPB(DeltaYFD) (where Tyr14-Phe-Asp16 has been deleted) failed to interact with octasaccharides, confirming that the Y14FD16 and K3KK5 clusters are required for CyPB binding. Molecular modelling revealed that both clusters are spatially arranged so that they may act synergistically to form a binding site for the octasaccharide. We then demonstrated that heparin-derived octasaccharides and higher degree of polymerization oligosaccharides inhibited the interaction between CyPB and fluorophore-labelled HS chains purified from T-lymphocytes, and strongly reduced the HS-dependent pro-adhesive activity of CyPB. However, oligosaccharides or heparin were unable to restore adhesion of heparinase-treated T-lymphocytes, indicating that HS has to be present on the cell membrane to support the pro-adhesive activity of CyPB. Altogether, these results demonstrate that the octasaccharide is likely to be the minimal length unit required for efficient binding of CyPB to cell surface HS and consequent HS-dependent cell responses.

Octasaccharide is the minimal length unit required for efficient binding of cyclophilin B to heparin and cell surface heparan sulphate

PubMed Central

2004-01-01

Cyclophilin B (CyPB) is a heparin-binding protein first identified as a receptor for cyclosporin A. In previous studies, we reported that CyPB triggers chemotaxis and integrin-mediated adhesion of T-lymphocytes by way of interaction with two types of binding sites. The first site corresponds to a signalling receptor; the second site has been identified as heparan sulphate (HS) and appears crucial to induce cell adhesion. Characterization of the HS-binding unit is critical to understand the requirement of HS in pro-adhesive activity of CyPB. By using a strategy based on gel mobility shift assays with fluorophore-labelled oligosaccharides, we demonstrated that the minimal heparin unit required for efficient binding of CyPB is an octasaccharide. The mutants CyPBKKK− [where KKK− refers to the substitutions K3A(Lys3→Ala)/K4A/K5A] and CyPBΔYFD (where Tyr14-Phe-Asp16 has been deleted) failed to interact with octasaccharides, confirming that the Y14FD16 and K3KK5 clusters are required for CyPB binding. Molecular modelling revealed that both clusters are spatially arranged so that they may act synergistically to form a binding site for the octasaccharide. We then demonstrated that heparin-derived octasaccharides and higher degree of polymerization oligosaccharides inhibited the interaction between CyPB and fluorophore-labelled HS chains purified from T-lymphocytes, and strongly reduced the HS-dependent pro-adhesive activity of CyPB. However, oligosaccharides or heparin were unable to restore adhesion of heparinase-treated T-lymphocytes, indicating that HS has to be present on the cell membrane to support the pro-adhesive activity of CyPB. Altogether, these results demonstrate that the octasaccharide is likely to be the minimal length unit required for efficient binding of CyPB to cell surface HS and consequent HS-dependent cell responses. PMID:15109301

Virus-Bacterium Interactions in Water and Sediment of West African Inland Aquatic Systems

PubMed Central

Bettarel, Yvan; Bouvy, Marc; Dumont, Claire; Sime-Ngando, Télesphore

2006-01-01

The ecology of virioplankton in tropical aquatic ecosystems is poorly documented, and in particular, there are no references concerning African continental waters in the literature. In this study, we examined virus-bacterium interactions in the pelagic and benthic zones of seven contrasting shallow inland waters in Senegal, including one hypersaline lake. SYBR Gold-stained samples revealed that in the surface layers of the sites, the numbers of viruses were in the same range as the numbers of viruses reported previously for productive temperate systems. Despite high bacterial production rates, the percentages of visibly infected cells (as determined by transmission electron microscopy) were similar to the lowest percentages (range, 0.3 to 1.1%; mean, 0.5%) found previously at pelagic freshwater or marine sites, presumably because of the local environmental and climatic conditions. Since the percentages of lysogenic bacteria were consistently less than 8% for pelagic and benthic samples, lysogeny did not appear to be a dominant strategy for virus propagation at these sites. In the benthic samples, viruses were highly concentrated, but paradoxically, no bacteria were visibly infected. This suggests that sediment provides good conditions for virus preservation but ironically is an unfavorable environment for proliferation. In addition, given the comparable size distributions of viruses in the water and sediment samples, our results support the paradigm that aquatic viruses are ubiquitous and may have moved between the two compartments of the shallow systems examined. Overall, this study provides additional information about the relevance of viruses in tropical areas and indicates that the intensity of virus-bacterium interactions in benthic habitats may lower than the intensity in the adjacent bodies of water. PMID:16885276

An investigation of the sites occupied by atomic barium in solid xenon—A 2D-EE luminescence spectroscopy and molecular dynamics study

NASA Astrophysics Data System (ADS)

Davis, Barry M.; Gervais, Benoit; McCaffrey, John G.

2018-03-01

A detailed characterisation of the luminescence recorded for the 6p 1P1-6s 1S0 transition of atomic barium isolated in annealed solid xenon has been undertaken using two-dimensional excitation-emission (2D-EE) spectroscopy. In the excitation spectra extracted from the 2D-EE scans, two dominant thermally stable sites were identified, consisting of a classic, three-fold split Jahn-Teller band, labeled the blue site, and an unusual asymmetric 2 + 1 split band, the violet site. A much weaker band has also been identified, whose emission is strongly overlapped by the violet site. The temperature dependence of the luminescence for these sites was monitored revealing that the blue site has a non-radiative channel competing effectively with the fluorescence even at 9.8 K. By contrast, the fluorescence decay time of the violet site was recorded to be 4.3 ns and independent of temperature up to 24 K. The nature of the dominant thermally stable trapping sites was investigated theoretically with Diatomics-in-Molecule (DIM) molecular dynamics simulations. The DIM model was parameterized with ab initio multi-reference configuration interaction calculations for the lowest energy excited states of the BaṡXe pair. The simulated absorption spectra are compared with the experimental results obtained from site-resolved excitation spectroscopy. The simulations allow us to assign the experimental blue feature spectrum to a tetra-vacancy trapping site in the bulk xenon fcc crystal—a site often observed when trapping other metal atoms in rare gas matrices. By contrast, the violet site is assigned to a specific 5-atom vacancy trapping site located at a grain boundary.

Summary of data from onsite and laboratory analyses of surface water and marsh porewater from South Florida Water Management District Water Conservation Areas, the Everglades, South Florida, March 1995

USGS Publications Warehouse

Reddy, Michael M.; Gunther, Charmaine D.

2012-01-01

This report presents results of chemical analysis for samples collected during March, 1995, as part of a study to quantify the interaction of aquatic organic material (referred to here as dissolved organic carbon with dissolved metal ions). The work was done in conjunction with the South Florida Water Management District, the U.S. Environmental Protection Agency, the U.S. Geological Survey South Florida Ecosystems Initiative, and the South Florida National Water Quality Assessment Study Unit. Samples were collected from surface canals and from marsh sites. Results are based on onsite and laboratory measurements for 27 samples collected at 10 locations. The data file contains sample description, dissolved organic carbon concentration and specific ultraviolet absorbance, and additional analytical data for samples collected at several sites in the Water Conservation Areas, the Everglades, south Florida.

A method to improve visual similarity of breast masses for an interactive computer-aided diagnosis environment.

PubMed

Zheng, Bin; Lu, Amy; Hardesty, Lara A; Sumkin, Jules H; Hakim, Christiane M; Ganott, Marie A; Gur, David

2006-01-01

The purpose of this study was to develop and test a method for selecting "visually similar" regions of interest depicting breast masses from a reference library to be used in an interactive computer-aided diagnosis (CAD) environment. A reference library including 1000 malignant mass regions and 2000 benign and CAD-generated false-positive regions was established. When a suspicious mass region is identified, the scheme segments the region and searches for similar regions from the reference library using a multifeature based k-nearest neighbor (KNN) algorithm. To improve selection of reference images, we added an interactive step. All actual masses in the reference library were subjectively rated on a scale from 1 to 9 as to their "visual margins speculations". When an observer identifies a suspected mass region during a case interpretation he/she first rates the margins and the computerized search is then limited only to regions rated as having similar levels of spiculation (within +/-1 scale difference). In an observer preference study including 85 test regions, two sets of the six "similar" reference regions selected by the KNN with and without the interactive step were displayed side by side with each test region. Four radiologists and five nonclinician observers selected the more appropriate ("similar") reference set in a two alternative forced choice preference experiment. All four radiologists and five nonclinician observers preferred the sets of regions selected by the interactive method with an average frequency of 76.8% and 74.6%, respectively. The overall preference for the interactive method was highly significant (p < 0.001). The study demonstrated that a simple interactive approach that includes subjectively perceived ratings of one feature alone namely, a rating of margin "spiculation," could substantially improve the selection of "visually similar" reference images.

Soilcrust References

Science.gov Websites

Soil Crust Home Crust 101 Advanced Gallery References CCERS Site Links Updated: April 24, 2006 References The complete biological soil crust reference list is available in three formats: HTML Version

18 CFR 388.106 - Requests for Commission records available in the Public Reference Room and from the Commission's...

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2010-04-01

... 18 Conservation of Power and Water Resources 1 2010-04-01 2010-04-01 false Requests for Commission records available in the Public Reference Room and from the Commission's web site, http://www.ferc.gov... available in the Public Reference Room and from the Commission's web site, http://www.ferc.gov. (a)(1) A...

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Code of Federal Regulations, 2012 CFR

2012-04-01

... 18 Conservation of Power and Water Resources 1 2012-04-01 2012-04-01 false Requests for Commission records available in the Public Reference Room and from the Commission's web site, http://www.ferc.gov... available in the Public Reference Room and from the Commission's web site, http://www.ferc.gov. (a)(1) A...

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Code of Federal Regulations, 2011 CFR

2011-04-01

... 18 Conservation of Power and Water Resources 1 2011-04-01 2011-04-01 false Requests for Commission records available in the Public Reference Room and from the Commission's web site, http://www.ferc.gov... available in the Public Reference Room and from the Commission's web site, http://www.ferc.gov. (a)(1) A...

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Code of Federal Regulations, 2014 CFR

2014-04-01

... 18 Conservation of Power and Water Resources 1 2014-04-01 2014-04-01 false Requests for Commission records available in the Public Reference Room and from the Commission's web site, http://www.ferc.gov... available in the Public Reference Room and from the Commission's web site, http://www.ferc.gov. (a)(1) A...

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Code of Federal Regulations, 2013 CFR

2013-04-01

... 18 Conservation of Power and Water Resources 1 2013-04-01 2013-04-01 false Requests for Commission records available in the Public Reference Room and from the Commission's web site, http://www.ferc.gov... available in the Public Reference Room and from the Commission's web site, http://www.ferc.gov. (a)(1) A...

Effects of Alien Plants on Ecosystem Structure and Functioning and Implications for Restoration: Insights from Three Degraded Sites in South African Fynbos

NASA Astrophysics Data System (ADS)

Gaertner, Mirijam; Richardson, David M.; Privett, Sean D. J.

2011-07-01

We investigated the type and extent of degradation at three sites on the Agulhas Plain, South Africa: an old field dominated by the alien grass Pennisetum clandestinum Pers . (kikuyu), an abandoned Eucalyptus plantation, and a natural fynbos community invaded by nitrogen fixing—Australian Acacia species. These forms of degradation are representative of many areas in the region. By identifying the nature and degree of ecosystem degradation we aimed to determine appropriate strategies for restoration in this biodiversity hotspot. Vegetation surveys were conducted at degraded sites and carefully selected reference sites. Soil-stored propagule seed banks and macro- and micro-soil nutrients were determined. Species richness, diversity and native cover under Eucalyptus were extremely low compared to the reference site and alterations of the soil nutrients were the most severe. The cover of indigenous species under Acacia did not differ significantly from that in reference sites, but species richness was lower under Acacia and soils were considerably enriched. Native species richness was much lower in the kikuyu site, but soil nutrient status was similar to the reference site. Removal of the alien species alone may be sufficient to re-initiate ecosystem recovery at the kikuyu site, whereas active restoration is required to restore functioning ecosystems dominated by native species in the Acacia thicket and the Eucalyptus plantation. To restore native plant communities we suggest burning, mulching with sawdust and sowing of native species.

Forb, Insect, and Soil Response to Burning and Mowing Wyoming Big Sagebrush in Greater Sage-Grouse Breeding Habitat

NASA Astrophysics Data System (ADS)

Hess, Jennifer E.; Beck, Jeffrey L.

2014-04-01

Wyoming big sagebrush ( Artemisia tridentata wyomingensis A. t. Nutt. ssp. wyomingensis Beetle and Young) communities provide structure and forbs and insects needed by greater sage-grouse ( Centrocercus urophasianus) for growth and survival. We evaluated forb, insect, and soil responses at six mowed and 19 prescribed burned sites compared to 25, paired and untreated reference sites. Sites were classified by treatment type, soil type, season, and decade of treatment (sites burned during 1990-1999 and sites burned or mowed during 2000-2006). Our objective was to evaluate differences in ten habitat attributes known to influence sage-grouse nesting and brood rearing to compare responses among treatment scenarios. Contrary to desired outcomes, treating Wyoming big sagebrush through prescribed burning or mowing may not stimulate cover or increase nutrition in food forbs, or increase insect abundance or indicators of soil quality compared with reference sites. In some cases, prescribed burning showed positive results compared with mowing such as greater forb crude protein content (%), ant (Hymenoptera; no./trap), beetle (Coleoptera/no./trap), and grasshopper abundance (Orthoptera; no./sweep), and total (%) soil carbon and nitrogen, but of these attributes, only grasshopper abundance was enhanced at burned sites compared with reference sites in 2008. Mowing did not promote a statistically significant increase in sage-grouse nesting or early brood-rearing habitat attributes such as cover or nutritional quality of food forbs, or counts of ants, beetles, or grasshoppers compared with reference sites.

Forb, insect, and soil response to burning and mowing Wyoming big sagebrush in greater sage-grouse breeding habitat.

PubMed

Hess, Jennifer E; Beck, Jeffrey L

2014-04-01

Wyoming big sagebrush (Artemisia tridentata wyomingensis A. t. Nutt. ssp. wyomingensis Beetle and Young) communities provide structure and forbs and insects needed by greater sage-grouse (Centrocercus urophasianus) for growth and survival. We evaluated forb, insect, and soil responses at six mowed and 19 prescribed burned sites compared to 25, paired and untreated reference sites. Sites were classified by treatment type, soil type, season, and decade of treatment (sites burned during 1990-1999 and sites burned or mowed during 2000-2006). Our objective was to evaluate differences in ten habitat attributes known to influence sage-grouse nesting and brood rearing to compare responses among treatment scenarios. Contrary to desired outcomes, treating Wyoming big sagebrush through prescribed burning or mowing may not stimulate cover or increase nutrition in food forbs, or increase insect abundance or indicators of soil quality compared with reference sites. In some cases, prescribed burning showed positive results compared with mowing such as greater forb crude protein content (%), ant (Hymenoptera; no./trap), beetle (Coleoptera/no./trap), and grasshopper abundance (Orthoptera; no./sweep), and total (%) soil carbon and nitrogen, but of these attributes, only grasshopper abundance was enhanced at burned sites compared with reference sites in 2008. Mowing did not promote a statistically significant increase in sage-grouse nesting or early brood-rearing habitat attributes such as cover or nutritional quality of food forbs, or counts of ants, beetles, or grasshoppers compared with reference sites.

On the suitability of refractory bricks from a mediaeval brass melting and working site near Dinant (Belgium) as geomagnetic field recorders

NASA Astrophysics Data System (ADS)

Hus, J.; Geeraerts, R.; Plumier, J.

2004-11-01

Directional field archaeomagnetic data from two oval shaped kilns, of which still one was lined with refractory bricks, unearthed in a brass melting and working site in Bouvignes-sur-Meuse in Belgium, confirm the archaeologic dating as 14-15th century A.D. for the main site activities. The archaeomagnetic dates, obtained using reference secular variation curves of the geomagnetic field direction for France and Great Britain, lead to better time constraints for the cessation of kiln operations. Refractory bricks (firebricks) that are used for their chemical and thermal properties, and in particular for their resistance to high temperatures and temperature changes, are not unusual in metal melting and working sites. The firebricks from the examined site are coarse-grained and very porous inside but possess a very stable remanent magnetisation and revealed to be suitable magnetic field recorders. Although the firebricks have a single-component remanent magnetization, non-random deviations in remanence direction in function of the relative azimuth from the centre of the kiln or with the position of the bricks in the kiln wall, were observed. Several hypotheses for the origin of the deviations were considered: anisotropy, refraction, magnetic interaction, magnetic field distortion and the presence of a local disturbing magnetic source.

Reference intervals and physiologic alterations in hematologic and biochemical values of free-ranging desert tortoises in the Mojave Desert

USGS Publications Warehouse

Christopher, Mary M.; Berry, Kristin H.; Wallis, I.R.; Nagy, K.A.; Henen, B.T.; Peterson, C.C.

1999-01-01

Desert tortoise (Gopherus agassizii) populations have experienced precipitous declines resulting from the cumulative impact of habitat loss, and human and disease-related mortality. Evaluation of hematologic and biochemical responses of desert tortoises to physiologic and environmental factors can facilitate the assessment of stress and disease in tortoises and contribute to management decisions and population recovery. The goal of this study was to obtain and analyze clinical laboratory data from free-ranging desert tortoises at three sites in the Mojave Desert (California, USA) between October 1990 and October 1995, to establish reference intervals, and to develop guidelines for the interpretation of laboratory data under a variety of environmental and physiologic conditions. Body weight, carapace length, and venous blood samples for a complete blood count and clinical chemistry profile were obtained from 98 clinically healthy adult desert tortoises of both sexes at the Desert Tortoise Research Natural area (western Mojave), Goffs (eastern Mojave) and Ivanpah Valley (northeastern Mojave). Samples were obtained four times per year, in winter (February/March), spring (May/June), summer (July/August), and fall (October). Years of near-, above- and below-average rainfall were represented in the 5 yr period. Minimum, maximum and median values, and central 95 percentiles were used as reference intervals and measures of central tendency for tortoises at each site and/or season. Data were analyzed using repeated measures analysis of variance for significant (P < 0.01) variation on the basis of sex, site, season, and interactions between these variables. Significant sex differences were observed for packed cell volume, hemoglobin concentration, aspartate transaminase activity, and cholesterol, triglyceride, calcium, and phosphorus concentrations. Marked seasonal variation was observed in most parameters in conjunction with reproductive cycle, hibernation, or seasonal rainfall. Year-to-year differences and long-term alterations primarily reflected winter rainfall amounts. Site differences were minimal, and largely reflected geographic differences in precipitation patterns, such that results from these studies can be applied to other tortoise populations in environments with known rainfall and forage availability patterns.

Predator removal and nesting waterbird success at San Francisco Bay, California

USGS Publications Warehouse

Meckstroth, A.M.; Miles, A.K.

2005-01-01

The efficacy of long-term predator removal in urbanized areas is poorly understood. The impact of predation on ground-nesting waterbirds, as well as predator abundance and composition in predator removal versus non-removal or reference sites were examined at South San Francisco Bay. The success of natural nests and predator activity was monitored using track plates, trip cameras, wire haircatchers and simulated nests. Removal sites had higher nest densities, but lower hatching success than reference sites. Predator composition and abundance were not different at the removal and reference sites for any predator other than feral Cat (Felis domesticus). Striped Skunk (Mephitis mephitis) comprised the majority (84%) of predators removed, yet remained the most abundant predators in removal and reference sites. Urban environments provide supplemental food that may influence skunks and other nest predators to immigrate into vacancies created by predator removal. Based on the findings from this study, predator removal should be applied intensively over a larger geographic area in order to be a viable management strategy for some mammalian species in urbanized areas.

A proposed coast-wide reference monitoring system for evaluating Wetland restoration trajectories in Louisiana

USGS Publications Warehouse

Steyer, G.D.; Sasser, C.E.; Visser, J.M.; Swenson, E.M.; Nyman, J.A.; Raynie, R.C.

2003-01-01

Wetland restoration efforts conducted in Louisiana under the Coastal Wetlands Planning, Protection and Restoration Act require monitoring the effectiveness of individual projects as well as monitoring the cumulative effects of all projects in restoring, creating, enhancing, and protecting the coastal landscape. The effectiveness of the traditional paired-reference monitoring approach in Louisiana has been limited because of difficulty in finding comparable reference sites. A multiple reference approach is proposed that uses aspects of hydrogeomorphic functional assessments and probabilistic sampling. This approach includes a suite of sites that encompass the range of ecological condition for each stratum, with projects placed on a continuum of conditions found for that stratum. Trajectories in reference sites through time are then compared with project trajectories through time. Plant community zonation complicated selection of indicators, strata, and sample size. The approach proposed could serve as a model for evaluating wetland ecosystems.

A proposed coast-wide reference monitoring system for evaluating wetland restoration trajectories in Louisiana.

PubMed

Steyer, Gregory D; Sasser, Charles E; Visser, Jenneke M; Swenson, Erick M; Nyman, John A; Raynie, Richard C

2003-01-01

Wetland restoration efforts conducted in Louisiana under the Coastal Wetlands Planning, Protection and Restoration Act require monitoring the effectiveness of individual projects as well as monitoring the cumulative effects of all projects in restoring, creating, enhancing, and protecting the coastal landscape. The effectiveness of the traditional paired-reference monitoring approach in Louisiana has been limited because of difficulty in finding comparable reference sites. A multiple reference approach is proposed that uses aspects of hydrogeomorphic functional assessments and probabilistic sampling. This approach includes a suite of sites that encompass the range of ecological condition for each stratum, with projects placed on a continuum of conditions found for that stratum. Trajectories in reference sites through time are then compared with project trajectories through time. Plant community zonation complicated selection of indicators, strata, and sample size. The approach proposed could serve as a model for evaluating wetland ecosystems.

Approaches to defining reference regimes for river restoration planning

NASA Astrophysics Data System (ADS)

Beechie, T. J.

2014-12-01

Reference conditions or reference regimes can be defined using three general approaches, historical analysis, contemporary reference sites, and theoretical or empirical models. For large features (e.g., floodplain channels and ponds) historical data and maps are generally reliable. For smaller features (e.g., pools and riffles in small tributaries), field data from contemporary reference sites are a reasonable surrogate for historical data. Models are generally used for features that have no historical information or present day reference sites (e.g., beaver pond habitat). Each of these approaches contributes to a watershed-wide understanding of current biophysical conditions relative to potential conditions, which helps create not only a guiding vision for restoration, but also helps quantify and locate the largest or most important restoration opportunities. Common uses of geomorphic and biological reference conditions include identifying key areas for habitat protection or restoration, and informing the choice of restoration targets. Examples of use of each of these three approaches to define reference regimes in western USA illustrate how historical information and current research highlight key restoration opportunities, focus restoration effort in areas that can produce the largest ecological benefit, and contribute to estimating restoration potential and assessing likelihood of achieving restoration goals.

Measuring interactivity on tobacco control websites.

PubMed

Freeman, Becky; Chapman, Simon

2012-08-01

With the increased reach of Web 2.0, Internet users expect webpages to be interactive. No studies have been conducted to assess whether tobacco control-relevant sites have implemented these features. The authors conducted an analysis of an international sample of tobacco control-relevant websites to determine their level of interactivity. The sample included 68 unique websites selected from Google searches in 5 countries, on each country's Google site, using the term smoking. The 68 sites were analyzed for 10 categories of interactive tools. The most common type of interactive content found on 46 (68%) of sites was for multimedia featuring content that was not primarily text based, such as photo galleries, videos, or podcasts. Only 11 (16%) websites-outside of media sites-allowed people to interact and engage with the site owners and other users by allowing posting comments on content and/or hosting forums/discussions. Linkages to social networking sites were low: 17 pages (25%) linked to Twitter, 15 (22%) to Facebook, and 11 (16%) to YouTube. Interactivity and connectedness to online social media appears to still be in its infancy among tobacco control-relevant sites.

Free Energy Landscape of Lipid Interactions with Regulatory Binding Sites on the Transmembrane Domain of the EGF Receptor.

PubMed

Hedger, George; Shorthouse, David; Koldsø, Heidi; Sansom, Mark S P

2016-08-25

Lipid molecules can bind to specific sites on integral membrane proteins, modulating their structure and function. We have undertaken coarse-grained simulations to calculate free energy profiles for glycolipids and phospholipids interacting with modulatory sites on the transmembrane helix dimer of the EGF receptor within a lipid bilayer environment. We identify lipid interaction sites at each end of the transmembrane domain and compute interaction free energy profiles for lipids with these sites. Interaction free energies ranged from ca. -40 to -4 kJ/mol for different lipid species. Those lipids (glycolipid GM3 and phosphoinositide PIP2) known to modulate EGFR function exhibit the strongest binding to interaction sites on the EGFR, and we are able to reproduce the preference for interaction with GM3 over other glycolipids suggested by experiment. Mutation of amino acid residues essential for EGFR function reduce the binding free energy of these key lipid species. The residues interacting with the lipids in the simulations are in agreement with those suggested by experimental (mutational) studies. This approach provides a generalizable tool for characterizing the interactions of lipids that bind to specific sites on integral membrane proteins.

Free Energy Landscape of Lipid Interactions with Regulatory Binding Sites on the Transmembrane Domain of the EGF Receptor

PubMed Central

2016-01-01

Lipid molecules can bind to specific sites on integral membrane proteins, modulating their structure and function. We have undertaken coarse-grained simulations to calculate free energy profiles for glycolipids and phospholipids interacting with modulatory sites on the transmembrane helix dimer of the EGF receptor within a lipid bilayer environment. We identify lipid interaction sites at each end of the transmembrane domain and compute interaction free energy profiles for lipids with these sites. Interaction free energies ranged from ca. −40 to −4 kJ/mol for different lipid species. Those lipids (glycolipid GM3 and phosphoinositide PIP2) known to modulate EGFR function exhibit the strongest binding to interaction sites on the EGFR, and we are able to reproduce the preference for interaction with GM3 over other glycolipids suggested by experiment. Mutation of amino acid residues essential for EGFR function reduce the binding free energy of these key lipid species. The residues interacting with the lipids in the simulations are in agreement with those suggested by experimental (mutational) studies. This approach provides a generalizable tool for characterizing the interactions of lipids that bind to specific sites on integral membrane proteins. PMID:27109430

Geographic Proximity and Racial Disparities in Cancer Clinical Trial Participation

PubMed Central

Kanarek, Norma F.; Tsai, Hua-Ling; Metzger-Gaud, Sharon; Damron, Dorothy; Guseynova, Alla; Klamerus, Justin F.; Rudin, Charles M.

2011-01-01

This study assessed the effects of race and place of residence on clinical trial participation by patients seen at a designated NCI comprehensive cancer center. Clinical trial accrual to cancer case ratios were evaluated using a database of residents at the continental United States seen at The Sidney Kimmel Comprehensive Cancer Center at Johns Hopkins from 2005 to 2007. Place of residence was categorized into 3 nonoverlapping geographic areas: Baltimore City, non–Baltimore City catchment area, and non–catchment area. Controlling for age, sex, county poverty level, and cancer site, significant race and place of residence differences were seen in therapeutic or nontherapeutic clinical trials participation. White non–Baltimore City catchment area residents, the designated reference group, achieved the highest participation rate. Although the test of interaction (control group compared with all others) was not significant, some race–geographic area group differences were detected. In therapeutic trials, most race–place of residence group levels were statistically lower and different from reference; in nontherapeutic trials, race-specific Baltimore City groups participated at levels similar to reference. Baltimore City residents had lower participation rates only in therapeutic trials, irrespective of race. County poverty level was not significant but was retained as a confounder. Place of residence and race were found to be significant predictors of participation in therapeutic and nontherapeutic clinical trials, although patterns differed somewhat between therapeutic and nontherapeutic trials. Clinical trial accruals are not uniform across age, sex, race, place of residence, cancer site, or trial type, underscoring that cancer centers must better understand their source patients to enhance clinical trial participation. PMID:21147901

Theoretical investigation of polarization effects in solution: Importance of solvent collective motions

NASA Astrophysics Data System (ADS)

Ishida, Tateki

2015-01-01

Recent theoretical studies on interesting topics related to polarization effects in solutions are presented. As one of interesting topics, ionic liquids (ILs) solvents are focused on. The collective dynamics of electronic polarizability through interionic dynamics and the effect of polarization in ILs, 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF6]), are studied with molecular dynamics simulation. Also, the time-dependent polarization effect on the probe betaine dye molecule, pyridinium N-phenoxide, in water is investigated by a time-dependent reference interaction site model self-consistent field (time-dependent RISM-SCF) approach. The importance of considering polarization effects on solution systems related to solvent collective motions is shown.

Emotion modelling towards affective pathogenesis.

PubMed

Bas, James Le

2009-12-01

Objective: There is a need in psychiatry for models that integrate pathological states with normal systems. The interaction of arousal and emotion is the focus of an exploration of affective pathogenesis. Method: Given that the explicit causes of affective disorder remain nascent, methods of linking emotion and disorder are evaluated. Results: A network model of emotional families is presented, in which emotions exist as quantal gradients. Morbid emotional states are seen as the activation of distal emotion sites. The phenomenology of affective disorders is described with reference to this model. Recourse is made to non-linear dynamic theory. Conclusions: Metaphoric emotion models have face validity and may prove a useful heuristic.

Secondary-Phase Stochastics in Lithium-Ion Battery Electrodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mistry, Aashutosh N.; Smith, Kandler; Mukherjee, Partha P.

Lithium-ion battery electrodes exhibit complex interplay among multiple electrochemically coupled transport processes, which rely on the underlying functionality and relative arrangement of different constituent phases. The electrochemically inactive solid phases (e.g., conductive additive and binder, referred to as the secondary phase), while beneficial for improved electronic conductivity and mechanical integrity, may partially block the electrochemically active sites and introduce additional transport resistances in the pore (electrolyte) phase. In this work, the role of mesoscale interactions and inherent stochasticity in porous electrodes is elucidated in the context of short-range (interface) and long-range (transport) characteristics. The electrode microstructure significantly affects kinetically andmore » transport-limiting scenarios and thereby the cell performance. The secondary-phase morphology is also found to strongly influence the microstructure-transport-kinetics interactions. Apropos, strategies have been proposed for performance improvement via electrode microstructural modifications.« less

Secondary-Phase Stochastics in Lithium-Ion Battery Electrodes

DOE PAGES

Mistry, Aashutosh N.; Smith, Kandler; Mukherjee, Partha P.

2018-01-12

Lithium-ion battery electrodes exhibit complex interplay among multiple electrochemically coupled transport processes, which rely on the underlying functionality and relative arrangement of different constituent phases. The electrochemically inactive solid phases (e.g., conductive additive and binder, referred to as the secondary phase), while beneficial for improved electronic conductivity and mechanical integrity, may partially block the electrochemically active sites and introduce additional transport resistances in the pore (electrolyte) phase. In this work, the role of mesoscale interactions and inherent stochasticity in porous electrodes is elucidated in the context of short-range (interface) and long-range (transport) characteristics. The electrode microstructure significantly affects kinetically andmore » transport-limiting scenarios and thereby the cell performance. The secondary-phase morphology is also found to strongly influence the microstructure-transport-kinetics interactions. Apropos, strategies have been proposed for performance improvement via electrode microstructural modifications.« less

Impact of a broadband interactive televisit/teleconsultation service for residential and working environments.

PubMed Central

Valero, M. A.; Arredondo, M. T.; Guillén, S.; Traver, V.; Fernández, C.; Basagoiti, I.; del Nogal, F.; Gallar, P.; Insausti, J.

2001-01-01

The availability of health care attention at the point of need is one of the key benefits of telemedicine. Home environment and working place are the two scenarios selected in this article to evaluate the impact of a televisit and teleconsultation service. 31 users from four different medical and patient groups participated in this study supported by European Commission ATTRACT project. The experiences, carried out in Madrid and Valencia Spanish sites, benefited from interactive broadband access networks to provide cost-effective telecare services. Key areas analyzed encompass systems usability, clinical outcomes, patients quality of care and infoethic issues. Services advantages were verified and compared both from patients and medical staff points of view. Main benefits pointed out refer to displacement reduction, better communication doctor/patient, provision of comfort or friendliness, more precise therapy follow-up and increases in patients sense of well being. PMID:11825280

Impact of a broadband interactive televisit/teleconsultation service for residential and working environments.

PubMed

Valero, M A; Arredondo, M T; Guillén, S; Traver, V; Fernández, C; Basagoiti, I; del Nogal, F; Gallar, P; Insausti, J

2001-01-01

The availability of health care attention at the point of need is one of the key benefits of telemedicine. Home environment and working place are the two scenarios selected in this article to evaluate the impact of a televisit and teleconsultation service. 31 users from four different medical and patient groups participated in this study supported by European Commission ATTRACT project. The experiences, carried out in Madrid and Valencia Spanish sites, benefited from interactive broadband access networks to provide cost-effective telecare services. Key areas analyzed encompass systems usability, clinical outcomes, patients quality of care and infoethic issues. Services advantages were verified and compared both from patients and medical staff points of view. Main benefits pointed out refer to displacement reduction, better communication doctor/patient, provision of comfort or friendliness, more precise therapy follow-up and increases in patients sense of well being.

Ensemble docking to difficult targets in early-stage drug discovery: Methodology and application to fibroblast growth factor 23.

PubMed

Velazquez, Hector A; Riccardi, Demian; Xiao, Zhousheng; Quarles, Leigh Darryl; Yates, Charless Ryan; Baudry, Jerome; Smith, Jeremy C

2018-02-01

Ensemble docking is now commonly used in early-stage in silico drug discovery and can be used to attack difficult problems such as finding lead compounds which can disrupt protein-protein interactions. We give an example of this methodology here, as applied to fibroblast growth factor 23 (FGF23), a protein hormone that is responsible for regulating phosphate homeostasis. The first small-molecule antagonists of FGF23 were recently discovered by combining ensemble docking with extensive experimental target validation data (Science Signaling, 9, 2016, ra113). Here, we provide a detailed account of how ensemble-based high-throughput virtual screening was used to identify the antagonist compounds discovered in reference (Science Signaling, 9, 2016, ra113). Moreover, we perform further calculations, redocking those antagonist compounds identified in reference (Science Signaling, 9, 2016, ra113) that performed well on drug-likeness filters, to predict possible binding regions. These predicted binding modes are rescored with the molecular mechanics Poisson-Boltzmann surface area (MM/PBSA) approach to calculate the most likely binding site. Our findings suggest that the antagonist compounds antagonize FGF23 through the disruption of protein-protein interactions between FGF23 and fibroblast growth factor receptor (FGFR). © 2017 John Wiley & Sons A/S.

PILOT STUDY FOR ESTABLISHMENT OF A NETWORK OF COASTAL REFERENCE SITES

EPA Science Inventory

The National Oceanic and Atmospheric Administration (NOAA), U.S. Environmental Protection Agency (EPA), and the National Aeronautics and Space Administration (NASA) have joined in partnership for a pilot study for the establishment of a network of reference sites, the Coastal Int...

Global Positioning System surveys of storm-surge sensors deployed during Hurricane Ike, Seadrift, Texas, to Lake Charles, Louisiana, 2008

USGS Publications Warehouse

Payne, Jason; Woodward, Brenda K.; Storm, John B.

2009-01-01

The U.S. Geological Survey installed a network of pressure sensors at 65 sites along the Gulf Coast from Seadrift, Texas, northeast to Lake Charles, Louisiana, to record the timing, areal extent, and magnitude of inland storm surge and coastal flooding caused by Hurricane Ike in September 2008. A Global Positioning System was used to obtain elevations of reference marks near each sensor. A combination of real-time kinematic (RTK) and static Global Positioning System surveys were done to obtain elevations of reference marks. Leveling relative to reference marks was done to obtain elevations of sensor orifices above the reference marks. This report summarizes the Global Positioning System data collected and processed to obtain reference mark and storm-sensor-orifice elevations for 59 storm-surge sensors recovered from the original 65 installed as a necessary prelude to computation of storm-surge elevations. National Geodetic Survey benchmarks were used for RTK surveying. Where National Geodetic Survey benchmarks were not within 12 kilometers of a sensor site, static surveying was done. Additional control points for static surveying were in the form of newly established benchmarks or reestablished existing benchmarks. RTK surveying was used to obtain positions and elevations of reference marks for 29 sensor sites. Static surveying was used to obtain positions and elevations of reference marks for 34 sensor sites; four sites were surveyed using both methods. Multiple quality checks on the RTK-survey and static-survey data were applied. The results of all quality checks indicate that the desired elevation accuracy for the surveys of this report, less than 0.1-meter error, was achieved.

Chemical and biological assessment of two offshore drilling sites in the Alaskan Arctic.

PubMed

Trefry, John H; Dunton, Kenneth H; Trocine, Robert P; Schonberg, Susan V; McTigue, Nathan D; Hersh, Eric S; McDonald, Thomas J

2013-05-01

A retrospective chemical and biological study was carried out in Camden Bay, Alaskan Beaufort Sea, where single exploratory oil wells were drilled at two sites more than two decades ago. Barium from discharged drilling mud was present in sediments at concentrations as high as 14%, ~200 times above background, with significantly higher concentrations of Ba, but not other metals, within 250 m of the drilling site versus reference stations. Elevated concentrations of Cr, Cu, Hg and Pb were found only at two stations within 25 m of one drilling site. Concentrations of total polycyclic aromatic hydrocarbons (TPAH) were not significantly different at reference versus drilling-site stations; however, TPAH were elevated in Ba-rich layers from naturally occurring perylene in ancient formation cuttings. Infaunal biomass and species abundance were not significantly different at reference versus drilling-site stations; infauna were less diverse at drilling-site stations. Our assessment showed that discharges from single wells within large areas caused minimal long-term, adverse impacts to the benthic ecosystem. Copyright © 2013 Elsevier Ltd. All rights reserved.

Endocrine and metabolic dysfunction in yellow perch, Perca flavescens, exposed to organic contaminants and heavy metals in the St. Lawrence River

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hontela, A.; Duclos, D.; Fortin, R.

1995-04-01

The endocrine and biochemical responses to the acute stress of capture and handling were investigated in sexually mature and in immature male and female yellow perch, Perca flavescens, from a site contaminated by organic contaminants (PAHs and PCBs) and heavy metals (Hg, Cd, As, and Zn) and from a reference site in the St. Lawrence River. Following a standardized capture and handling stress, fish from the contaminated site did not exhibit the expected physiological stress response observed in fish from the reference site. Blood cortisol and thyroxine levels were lower, and liver glycogen stores were greater in mature males andmore » females, as well as in the immature fish from the contaminated site, compared to the reference site. Fish from the contaminated site also had smaller gonads and lower condition factor. The impaired ability to elevate blood cortisol in response to an acute stress may be used as a biomarker of toxic stress in health assessment of feral fish from polluted environments.« less

Development of web tools to disseminate space geodesy data-related products

NASA Astrophysics Data System (ADS)

Soudarin, Laurent; Ferrage, Pascale; Mezerette, Adrien

2015-04-01

In order to promote the products of the DORIS system, the French Space Agency CNES has developed and implemented on the web site of the International DORIS Service (IDS) a set of plot tools to interactively build and display time series of site positions, orbit residuals and terrestrial parameters (scale, geocenter). An interactive global map is also available to select sites, and to get access to their information. Besides the products provided by the CNES Orbitography Team and the IDS components, these tools allow comparing time evolutions of coordinates for collocated DORIS and GNSS stations, thanks to the collaboration with the Terrestrial Frame Combination Center of the International GNSS Service (IGS). A database was created to improve robustness and efficiency of the tools, with the objective to propose a complete web service to foster data exchange with the other geodetic services of the International Association of Geodesy (IAG). The possibility to visualize and compare position time series of the four main space geodetic techniques DORIS, GNSS, SLR and VLBI is already under way at the French level. A dedicated version of these web tools has been developed for the French Space Geodesy Research Group (GRGS). It will give access to position time series provided by the GRGS Analysis Centers involved in DORIS, GNSS, SLR and VLBI data processing for the realization of the International Terrestrial Reference Frame. In this presentation, we will describe the functionalities of these tools, and we will address some aspects of the time series (content, format).

Lead (Pb) in biota and perceptions of Pb exposure at a recently designated Superfund beach site in New Jersey.

PubMed

Burger, Joanna; Gochfeld, Michael; Jeitner, Christian; Donio, Mark; Pittfield, Taryn

2012-01-01

The Raritan Bay Slag Site (New Jersey) was designated a Superfund site in 2009 because the seawall, jetties, and sediment contained lead (Pb). Our objective was to compare Pb and mercury (Hg) levels in biota and public perceptions of exposure at the Superfund and reference sites. Samples (algae, invertebrates, fish) were collected from the Raritan Bay Slag Site and reference sites and analyzed for Pb and Hg. Waterfront users were interviewed using a standard questionnaire. Levels of Pb in aquatic organisms were compared to ecological and human health safety standards. Lead levels were related to location, trophic level, and mobility. Lead levels in biota were highest at the western side of the West Jetty. Mean Pb levels were highest for algae (Fucus = 53,600 ± 6990 ng/g = ppb [wet weight], Ulva = 23,900 ± 2430 ppb), intermediate for grass shrimp (7270 ± 1300 ppb, 11,600 ± 3340 ppb), and lowest for fish (Atlantic silversides 218 ± 44 ppb). Within species, Pb levels varied significantly across the sampling sites. Lead levels in algae, sometimes ingested by individuals, were sufficiently high to exceed human safety levels. Mercury levels did not differ between the Superfund and reference sites. Despite the fence and warnings, people (1) used the Superfund and reference sites similarly, (2) had similar fish consumption rates, and (3) were not concerned about Pb, although most individuals knew the metal was present. The fish sampled posed no apparent risk for human consumers, but the algae did.

LEAD (Pb) IN BIOTA AND PERCEPTIONS OF Pb EXPOSURE AT A RECENTLY DESIGNATED SUPERFUND BEACH SITE IN NEW JERSEY

PubMed Central

Burger, Joanna; Gochfeld, Michael; Jeitner, Christian; Donio, Mark; Pittfield, Taryn

2014-01-01

The Raritan Bay Slag Site (New Jersey) was designated a Superfund site in 2009 because the seawall, jetties, and sediment contained lead (Pb). Our objective was to compare Pb and mercury (Hg) levels in biota and public perceptions of exposure at the Superfund and reference sites. Samples (algae, invertebrates, fish) were collected from the Raritan Bay Slag Site and reference sites and analyzed for Pb and Hg. Waterfront users were interviewed using a standard questionnaire. Levels of Pb in aquatic organisms were compared to ecological and human health safety standards. Lead levels were related to location, trophic level, and mobility. Lead levels in biota were highest at the western side of the West Jetty. Mean Pb levels were highest for algae (Fucus = 53,600 ± 6990 ng/g = ppb [wet weight], Ulva = 23,900 ± 2430 ppb), intermediate for grass shrimp (7270 ± 1300 ppb, 11,600 ± 3340 ppb), and lowest for fish (Atlantic silversides 218 ± 44 ppb). Within species, Pb levels varied significantly across the sampling sites. Lead levels in algae, sometimes ingested by individuals, were sufficiently high to exceed human safety levels. Mercury levels did not differ between the Superfund and reference sites. Despite the fence and warnings, people (1) used the Superfund and reference sites similarly, (2) had similar fish consumption rates, and (3) were not concerned about Pb, although most individuals knew the metal was present. The fish sampled posed no apparent risk for human consumers, but the algae did. PMID:22409490

76 FR 72306 - Federal Housing Administration (FHA) Appraiser Roster: Appraiser Qualifications for Placement on...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-23

... Appraiser Roster regulations by replacing the obsolete references to the Credit Alert Interactive Voice Response System (CAIVRS) with references to its successor, the online-based Credit Alert Verification... propose the elimination references to the Credit Alert Interactive Voice Response System (CAIVRS). On July...

Corrective Action Investigation Plan for Corrective Action Unit 569: Area 3 Yucca Flat Atmospheric Test Sites Nevada National Security Site, Nevada, Revision 0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patrick Matthews; Christy Sloop

2012-02-01

Corrective Action Unit (CAU) 569 is located in Area 3 of the Nevada National Security Site, which is approximately 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 569 comprises the nine numbered corrective action sites (CASs) and one newly identified site listed below: (1) 03-23-09, T-3 Contamination Area (hereafter referred to as Annie, Franklin, George, and Moth); (2) 03-23-10, T-3A Contamination Area (hereafter referred to as Harry and Hornet); (3) 03-23-11, T-3B Contamination Area (hereafter referred to as Fizeau); (4) 03-23-12, T-3S Contamination Area (hereafter referred to as Rio Arriba); (5) 03-23-13, T-3T Contamination Area (hereafter referred tomore » as Catron); (6) 03-23-14, T-3V Contamination Area (hereafter referred to as Humboldt); (7) 03-23-15, S-3G Contamination Area (hereafter referred to as Coulomb-B); (8) 03-23-16, S-3H Contamination Area (hereafter referred to as Coulomb-A); (9) 03-23-21, Pike Contamination Area (hereafter referred to as Pike); and (10) Waste Consolidation Site 3A. Because CAU 569 is a complicated site containing many types of releases, it was agreed during the data quality objectives (DQO) process that these sites will be grouped. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each study group. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the DQOs developed on September 26, 2011, by representatives of the Nevada Division of Environmental Protection and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 569. The presence and nature of contamination at CAU 569 will be evaluated based on information collected from a field investigation. Radiological contamination will be evaluated based on a comparison of the total effective dose (TED) at sample locations to the dose-based final action level (FAL). The TED will be calculated as the total of separate estimates of internal and external dose. Results from the analysis of soil samples will be used to calculate internal radiological dose. Thermoluminescent dosimeters placed at the center of each sample location will be used to measure external radiological dose. A field investigation will be performed to define any areas where TED exceeds the FAL and to determine whether contaminants of concern are present at the site from other potential releases. The presence and nature of contamination from other types of releases (e.g., excavation, migration, and any potential releases discovered during the investigation) will be evaluated using soil samples collected from biased locations indicating the highest levels of contamination. Appendix A provides a detailed discussion of the DQO methodology and the objectives specific to each study group.« less

Fate of 137Cs, 90Sr and 239+240Pu in soil profiles at a water recharge site in Basel, Switzerland.

PubMed

Abraham, Johannes; Meusburger, Katrin; Waldis, Judith Kobler; Ketterer, Michael E; Zehringer, Markus

2018-02-01

An important process in the production of drinking water is the recharge of the withdrawn ground water with river water at protected recharge fields. While it is well known that undisturbed soils are efficiently filtering and adsorbing radionuclides, the goal of this study was to investigate their behaviour in an artificial recharge site that may receive rapid and additional input of radionuclides by river water (particularly when draining a catchment including nuclear power plants (NPP)). Soil profiles of recharge sites were drilled and analysed for radionuclides, specifically radiocesium ( 137 Cs), radiostrontium ( 90 Sr) and plutonium ( 239+240 Pu). The distribution of the analysed radionuclides were compared with an uncultivated reference soil outside the recharge site. The main activity of 137 Cs was located in the top soil (4.5-7.5 cm) and reached down to a depth of 84 cm and 48 cm for the recharge and the reference site, respectively. The found activities of 239+240 Pu originate from the global fallout after 1950. 239+240 Pu appeared to be strongly adsorbed onto soil particles. The shape of the depth profile was similar to 137 Cs, but also similar between the recharge and the reference site. In contrast, 90 Sr showed a uniform distribution over the entire depth of the recharge and reference profiles indicating that 90 Sr already entered the gravel zone and the ground water. Elevated inventories of the radionuclides were observed for the recharge site. The soil of the recharge field exhibited a threefold higher activity of 137 Cs compared to the reference soil. Also for 239+240 Pu higher inventories where observed for the recharge sites (40%). 90 Sr behaved differently, showing similar inventories between reference and recharge site. We estimate that 75-89% of the total inventory of 137 Cs in the soil at the recharge site (7.000 Bq/m 2 ) originated from the fallout of the Chernobyl accident and from emissions of Swiss NPPs. This estimate is based on the actual activity ratio of 137 Cs/ 239+240 Pu of 22 for global fallout. The investigations identified radiostrontium as potential threat to the ground water. Copyright © 2017 Elsevier Ltd. All rights reserved.

Examination of global correlations in ground deformation for terrestrial reference frame estimation

NASA Astrophysics Data System (ADS)

Chin, T. M.; Abbondanza, C.; Argus, D. F.; Gross, R. S.; Heflin, M. B.; Parker, J. W.; Wu, X.

2016-12-01

The KALman filter for REFerence frames (KALREF, Wu et al. 2015) has been developed to produce terrestrial reference frame (TRF) solutions. TRFs consist of precise position coordinates and velocity vectors of terrestrial reference sites (with the geocenter as the origin) along with the Earth orientation parameters, and they are produced by combining decades worth of space geodetic data using site tie data. To perform the combination, KALREF relies on stochastic models of the geophysical processes that are causing the Earth's surface to deform and reference sites to be displaced. We are investigating application of the GRACE data to improve the KALREF stochastic models by determining spatial statistics of the deformation of the Earth's surface caused by mass loading. A potential target of improvement is the non-uniform distribution of the geodetic observation sites, which can introduce bias in TRF estimates of the geocenter. The global and relatively uniform coverage of the GRACE measurements is expected to be free of such bias and allow us to improve physical realism of the stochastic model. For such a goal, we examine the spatial correlations in ground deformation derived from several GRACE data sets.[Wu et al. 2015: Journal of Geophysical Research (Solid Earth) 120:3775-3802

Variability of 137Cs inventory at a reference site in west-central Iran.

PubMed

Bazshoushtari, Nasim; Ayoubi, Shamsollah; Abdi, Mohammad Reza; Mohammadi, Mohammad

2016-12-01

137 Cs technique has been widely used for the evaluation rates and patterns of soil erosion and deposition. This technique requires an accurate estimate of the values of 137 Cs inventory at the reference site. This study was conducted to evaluate the variability of the inventory of 137 Cs regarding to the sampling program including sample size, distance and sampling method at a reference site located in vicinity of Fereydan district in Isfahan province, west-central Iran. Two 3 × 8 grids were established comprising large grid (35 m length and 8 m width), and small grid (24 m length and 6 m width). At each grid intersection two soil samples were collected from 0 to 15 cm and 15-30 cm depths, totally 96 soil samples from 48 sampling points. Coefficients of variation for 137 Cs inventory in the soil samples was relatively low (CV = 15%), and the sampling distance and methods used did not significantly affect the 137 Cs inventories across the studied reference site. To obtain a satisfactory estimate of the mean 137 Cs activity in the reference sites, particularly those located in the semiarid regions, it is recommended to collect at least four samples along in a grid pattern 3 m apart. Copyright © 2016 Elsevier Ltd. All rights reserved.

Fundamental Importance of Reference Glucose Analyzer Accuracy for Evaluating the Performance of Blood Glucose Monitoring Systems (BGMSs).

PubMed

Bailey, Timothy S; Klaff, Leslie J; Wallace, Jane F; Greene, Carmine; Pardo, Scott; Harrison, Bern; Simmons, David A

2016-07-01

As blood glucose monitoring system (BGMS) accuracy is based on comparison of BGMS and laboratory reference glucose analyzer results, reference instrument accuracy is important to discriminate small differences between BGMS and reference glucose analyzer results. Here, we demonstrate the important role of reference glucose analyzer accuracy in BGMS accuracy evaluations. Two clinical studies assessed the performance of a new BGMS, using different reference instrument procedures. BGMS and YSI analyzer results were compared for fingertip blood that was obtained by untrained subjects' self-testing and study staff testing, respectively. YSI analyzer accuracy was monitored using traceable serum controls. In study 1 (N = 136), 94.1% of BGMS results were within International Organization for Standardization (ISO) 15197:2013 accuracy criteria; YSI analyzer serum control results showed a negative bias (-0.64% to -2.48%) at the first site and a positive bias (3.36% to 6.91%) at the other site. In study 2 (N = 329), 97.8% of BGMS results were within accuracy criteria; serum controls showed minimal bias (<0.92%) at both sites. These findings suggest that the ability to demonstrate that a BGMS meets accuracy guidelines is influenced by reference instrument accuracy. © 2016 Diabetes Technology Society.

Enhancing Learning through Human Computer Interaction

ERIC Educational Resources Information Center

McKay, Elspeth, Ed.

2007-01-01

Enhancing Learning Through Human Computer Interaction is an excellent reference source for human computer interaction (HCI) applications and designs. This "Premier Reference Source" provides a complete analysis of online business training programs and e-learning in the higher education sector. It describes a range of positive outcomes for linking…

REFERENCE VALUES FOR FISH EXPOSURE TO PAH CONTAMINANTS: COMPARISON OF OHIO AND THE MID-ATLANTIC REGION

EPA Science Inventory

Reference values for exposure of wildlife to contaminants are needed to cost effectively determine if a site is contaminated and to rank sites that are above background levels. Epidemiological techniques originally developed for clinical chemistry and for determining exposures t...

Square Kilometre Array Telescope—Precision Reference Frequency Synchronisation via 1f-2f Dissemination

PubMed Central

Wang, B.; Zhu, X.; Gao, C.; Bai, Y.; Dong, J. W.; Wang, L. J.

2015-01-01

The Square Kilometre Array (SKA) project is an international effort to build the world’s largest radio telescope, with a one-square-kilometre collecting area. In addition to its ambitious scientific objectives, such as probing cosmic dawn and the cradle of life, the SKA demands several revolutionary technological breakthroughs, such as ultra-high precision synchronisation of the frequency references for thousands of antennas. In this report, with the purpose of application to the SKA, we demonstrate a frequency reference dissemination and synchronisation scheme in which the phase-noise compensation function is applied at the client site. Hence, one central hub can be linked to a large number of client sites, thus forming a star-shaped topology. As a performance test, a 100-MHz reference frequency signal from a hydrogen maser (H-maser) clock is disseminated and recovered at two remote sites. The phase-noise characteristics of the recovered reference frequency signal coincide with those of the H-maser source and satisfy the SKA requirements. PMID:26349544

Effects of agricultural runoff on native amphibians in the Lower Fraser River Valley, British Columbia, Canada.

PubMed

de, SollaShaneR; Pettit, Karen E; Bishop, Christine A; Cheng, Kimberly M; Elliott, John E

2002-02-01

Hatching success, deformity rates, and survivorship of northern red-legged frogs (Rana aurora) and northwestern salamanders (Ambystoma gracile) were assessed at three agricultural and three reference sites in the Sumas Prairie, British Columbia, Canada. In 1997 and 1998, eggs of both species and eggs of R. aurora, respectively, were placed in Nytex mesh cages (Irwindale, CA, USA) in roadside ditches at each site. Concurrently in 1997, eggs of R. aurora were reared in the laboratory but were exposed to water samples from each of the study sites. Hatching success was significantly lower at all agricultural sites compared to the reference sites for both species. However, no differences were observed in hatching success among sites for eggs of R. aurora reared in the laboratory. Water chemistry differed among all sites, but the largest differences were between reference and agricultural sites. Ammonia (maximum of 1.27 mg/L), total phosphate (maximum of 8.14 mg/L), and biological oxygen demand (maximum of 79.00 mg/L) were high at some of the agricultural sites during the development period. Results suggest that agricultural runoff may contribute to lower reproductive success and ultimately to reduced population viability of amphibian populations in the Lower Fraser Valley (BC, Canada).

Sexpectations: Male College Students' Views about Displayed Sexual References on Females' Social Networking Web Sites

PubMed Central

Moreno, Megan A.; Swanson, Michael J.; Royer, Heather; Roberts, Linda J.

2011-01-01

Study Objective Sexual reference display on a social networking web site (SNS) is associated with self-reported sexual intention; females are more likely to display sexually explicit content on SNSs. The purpose of this study was to investigate male college students' views towards sexual references displayed on publicly available SNSs by females. Design Focus groups Setting One large state university Participants Male college students age 18–23 Interventions All tape recorded data was fully transcribed, then discussed to determine thematic consensus. Main Outcome Measures A trained male facilitator asked participants about views on sexual references displayed on SNSs by female peers and showed examples of sexual references from female's SNS profiles to facilitate discussion. Results A total of 28 heterosexual male participants participated in 7 focus groups. Nearly all participants reported using Facebook to evaluate potential female partners. Three themes emerged from our data. First, participants reported that displays of sexual references on social networking web sites increased sexual expectations. Second, sexual reference display decreased interest in pursuing a dating relationship. Third, SNS data was acknowledged as imperfect but valuable. Conclusion Females who display sexual references on publicly available SNS profiles may be influencing potential partners' sexual expectations and dating intentions. Future research should examine females' motivations and beliefs about displaying such references, and educate women about the potential impact of these sexual displays. PMID:21190872

Sexpectations: male college students' views about displayed sexual references on females' social networking web sites.

PubMed

Moreno, Megan A; Swanson, Michael J; Royer, Heather; Roberts, Linda J

2011-04-01

Sexual reference display on a social networking web site (SNS) is associated with self-reported sexual intention; females are more likely to display sexually explicit content on SNSs. The purpose of this study was to investigate male college students' views towards sexual references displayed on publicly available SNSs by females. Focus groups. One large state university. Male college students age 18-23. All tape recorded discussion was fully transcribed, then discussed to determine thematic consensus. A trained male facilitator asked participants about views on sexual references displayed on SNSs by female peers and showed examples of sexual references from female's SNS profiles to facilitate discussion. A total of 28 heterosexual male participants participated in seven focus groups. Nearly all participants reported using Facebook to evaluate potential female partners. Three themes emerged from our data. First, participants reported that displays of sexual references on social networking web sites increased sexual expectations. Second, sexual reference display decreased interest in pursuing a dating relationship. Third, SNS data was acknowledged as imperfect but valuable. Females who display sexual references on publicly available SNS profiles may be influencing potential partners' sexual expectations and dating intentions. Future research should examine females' motivations and beliefs about displaying such references and educate women about the potential impact of these sexual displays. Copyright © 2011 North American Society for Pediatric and Adolescent Gynecology. Published by Elsevier Inc. All rights reserved.

Verification of chemistry reference ranges using a simple method in sub-Saharan Africa

PubMed Central

Taylor, Douglas; Mandala, Justin; Nanda, Kavita; Van Campenhout, Christel; Agingu, Walter; Madurai, Lorna; Barsch, Eva-Maria; Deese, Jennifer; Van Damme, Lut; Crucitti, Tania

2016-01-01

Background Chemistry safety assessments are interpreted by using chemistry reference ranges (CRRs). Verification of CRRs is time consuming and often requires a statistical background. Objectives We report on an easy and cost-saving method to verify CRRs. Methods Using a former method introduced by Sigma Diagnostics, three study sites in sub-Saharan Africa, Bondo, Kenya, and Pretoria and Bloemfontein, South Africa, verified the CRRs for hepatic and renal biochemistry assays performed during a clinical trial of HIV antiretroviral pre-exposure prophylaxis. The aspartate aminotransferase/alanine aminotransferase, creatinine and phosphorus results from 10 clinically-healthy participants at the screening visit were used. In the event the CRRs did not pass the verification, new CRRs had to be calculated based on 40 clinically-healthy participants. Results Within a few weeks, the study sites accomplished verification of the CRRs without additional costs. The aspartate aminotransferase reference ranges for the Bondo, Kenya site and the alanine aminotransferase reference ranges for the Pretoria, South Africa site required adjustment. The phosphorus CRR passed verification and the creatinine CRR required adjustment at every site. The newly-established CRR intervals were narrower than the CRRs used previously at these study sites due to decreases in the upper limits of the reference ranges. As a result, more toxicities were detected. Conclusion To ensure the safety of clinical trial participants, verification of CRRs should be standard practice in clinical trials conducted in settings where the CRR has not been validated for the local population. This verification method is simple, inexpensive, and can be performed by any medical laboratory. PMID:28879112

Verification of chemistry reference ranges using a simple method in sub-Saharan Africa.

PubMed

De Baetselier, Irith; Taylor, Douglas; Mandala, Justin; Nanda, Kavita; Van Campenhout, Christel; Agingu, Walter; Madurai, Lorna; Barsch, Eva-Maria; Deese, Jennifer; Van Damme, Lut; Crucitti, Tania

2016-01-01

Chemistry safety assessments are interpreted by using chemistry reference ranges (CRRs). Verification of CRRs is time consuming and often requires a statistical background. We report on an easy and cost-saving method to verify CRRs. Using a former method introduced by Sigma Diagnostics, three study sites in sub-Saharan Africa, Bondo, Kenya, and Pretoria and Bloemfontein, South Africa, verified the CRRs for hepatic and renal biochemistry assays performed during a clinical trial of HIV antiretroviral pre-exposure prophylaxis. The aspartate aminotransferase/alanine aminotransferase, creatinine and phosphorus results from 10 clinically-healthy participants at the screening visit were used. In the event the CRRs did not pass the verification, new CRRs had to be calculated based on 40 clinically-healthy participants. Within a few weeks, the study sites accomplished verification of the CRRs without additional costs. The aspartate aminotransferase reference ranges for the Bondo, Kenya site and the alanine aminotransferase reference ranges for the Pretoria, South Africa site required adjustment. The phosphorus CRR passed verification and the creatinine CRR required adjustment at every site. The newly-established CRR intervals were narrower than the CRRs used previously at these study sites due to decreases in the upper limits of the reference ranges. As a result, more toxicities were detected. To ensure the safety of clinical trial participants, verification of CRRs should be standard practice in clinical trials conducted in settings where the CRR has not been validated for the local population. This verification method is simple, inexpensive, and can be performed by any medical laboratory.

Theoretical study for volume changes associated with the helix-coil transition of peptides.

PubMed

Imai, T; Harano, Y; Kovalenko, A; Hirata, F

2001-12-01

We calculate the partial molar volumes and their changes associated with the coil(extended)-to-helix transition of two types of peptide, glycine-oligomer and glutamic acid-oligomer, in aqueous solutions by using the Kirkwood-Buff solution theory coupled with the three-dimensional reference interaction site model (3D-RISM) theory. The volume changes associated with the transition are small and positive. The volume is analyzed by decomposing it into five contributions following the procedure proposed by Chalikian and Breslauer: the ideal volume, the van der Waals volume, the void volume, the thermal volume, and the interaction volume. The ideal volumes and the van der Waals volumes do not change appreciably upon the transition. In the both cases of glycine-peptide and glutamic acid-peptide, the changes in the void volumes are positive, while those in the thermal volumes are negative, and tend to balance those in the void volumes. The change in the interaction volume of glycine-peptide does not significantly contribute, while that of glutamic acid-peptide makes a negative contribution. Copyright 2001 John Wiley & Sons, Inc. Biopolymers 59: 512-519, 2001

Haemophilus parasuis encodes two functional cytolethal distending toxins: CdtC contains an atypical cholesterol recognition/interaction region.

PubMed

Zhou, Mingguang; Zhang, Qiang; Zhao, Jianping; Jin, Meilin

2012-01-01

Haemophilus parasuis is the causative agent of Glässer's disease of pigs, a disease associated with fibrinous polyserositis, polyarthritis and meningitis. We report here H. parasuis encodes two copies of cytolethal distending toxins (Cdts), which these two Cdts showed the uniform toxin activity in vitro. We demonstrate that three Cdt peptides can form an active tripartite holotoxin that exhibits maximum cellular toxicity, and CdtA and CdtB form a more active toxin than CdtB and CdtC. Moreover, the cellular toxicity is associated with the binding of Cdt subunits to cells. Further analysis indicates that CdtC subunit contains an atypical cholesterol recognition/interaction amino acid consensus (CRAC) region. The mutation of CRAC site resulted in decreased cell toxicity. Finally, western blot analysis show all the 15 H. parasuis reference strains and 109 clinical isolates expressed CdtB subunit, indicating that Cdt is a conservative putative virulence factor for H. parasuis. This is the first report of the molecular and cellular basis of Cdt host interactions in H. parasuis.

Long term trends of fish after liming of Swedish streams and lakes

NASA Astrophysics Data System (ADS)

Holmgren, Kerstin; Degerman, Erik; Petersson, Erik; Bergquist, Björn

2016-12-01

Thousands of Swedish acidified lakes and streams have been regularly limed for about 30 years. Standard sampling of fish assemblages in lakes and streams was an important part of monitoring the trends after liming, i.e. sampling with multi-mesh gillnets in lakes (EN 14757) and electrofishing in streams (EN 14011). Monitoring data are nationally managed, in the National Register of Survey test-fishing and the Swedish Electrofishing Register. We evaluated long-term data from 1029 electrofishing sites in limed streams and gillnet sampling in 750 limed lakes, along with reference data from 195 stream sites and 101 lakes with no upstream liming in their catchments. The median year of first liming was 1986 for both streams and lakes. The proportion of limed stream sites with no fish clearly decreased with time, mean species richness and proportion of sites with brown trout (Salmo trutta) recruits increased. There were no consistent trends in fish occurrence or species richness at non-limed sites, but occurrence of brown trout recruits also increased in acid as well as neutral reference streams. Abundance of brown trout, perch (Perca fluviatilis) and roach (Rutilus rutilus) increased significantly more at limed sites than at non-limed reference sites sampled before and after 1986. The mean species richness did not change consistently in limed lakes, but decreased in low alkalinity reference lakes, and fish abundance decreased significantly in limed as well as in non-limed lakes.

Ambient ultrafine particle levels at residential and reference sites in urban and rural Switzerland.

PubMed

Meier, Reto; Eeftens, Marloes; Aguilera, Inmaculada; Phuleria, Harish C; Ineichen, Alex; Davey, Mark; Ragettli, Martina S; Fierz, Martin; Schindler, Christian; Probst-Hensch, Nicole; Tsai, Ming-Yi; Künzli, Nino

2015-03-03

Although there is evidence that ultrafine particles (UFP) do affect human health there are currently no legal ambient standards. The main reasons are the absence of spatially resolved exposure data to investigate long-term health effects and the challenge of defining representative reference sites for monitoring given the high dependence of UFP on proximity to sources. The objectives of this study were to evaluate the spatial distribution of UFP in four areas of the Swiss Study on Air Pollution and Lung and Heart Diseases in Adults (SAPALDIA) and to investigate the representativeness of routine air monitoring stations for residential sites in these areas. Repeated UFP measurements during three seasons have been conducted at a total of 80 residential sites and four area specific reference sites over a median duration of 7 days. Arithmetic mean residential PNC scattered around the median of 10,800 particles/cm(3) (interquartile range [IQR] = 7800 particles/cm(3)). Spatial within area contrasts (90th/10th percentile ratios) were around two; increased contrasts were observed during weekday rush-hours. Temporal UFP patterns were comparable at reference and residential sites in all areas. Our data show that central monitoring sites can represent residential conditions when locations are well chosen with respect to the local sources--namely traffic. For epidemiological research, locally resolved spatial models are needed to estimate individuals' long-term exposures to UFP of outdoor origin at home, during commute and at work.

Scoring ligand similarity in structure-based virtual screening.

PubMed

Zavodszky, Maria I; Rohatgi, Anjali; Van Voorst, Jeffrey R; Yan, Honggao; Kuhn, Leslie A

2009-01-01

Scoring to identify high-affinity compounds remains a challenge in virtual screening. On one hand, protein-ligand scoring focuses on weighting favorable and unfavorable interactions between the two molecules. Ligand-based scoring, on the other hand, focuses on how well the shape and chemistry of each ligand candidate overlay on a three-dimensional reference ligand. Our hypothesis is that a hybrid approach, using ligand-based scoring to rank dockings selected by protein-ligand scoring, can ensure that high-ranking molecules mimic the shape and chemistry of a known ligand while also complementing the binding site. Results from applying this approach to screen nearly 70 000 National Cancer Institute (NCI) compounds for thrombin inhibitors tend to support the hypothesis. EON ligand-based ranking of docked molecules yielded the majority (4/5) of newly discovered, low to mid-micromolar inhibitors from a panel of 27 assayed compounds, whereas ranking docked compounds by protein-ligand scoring alone resulted in one new inhibitor. Since the results depend on the choice of scoring function, an analysis of properties was performed on the top-scoring docked compounds according to five different protein-ligand scoring functions, plus EON scoring using three different reference compounds. The results indicate that the choice of scoring function, even among scoring functions measuring the same types of interactions, can have an unexpectedly large effect on which compounds are chosen from screening. Furthermore, there was almost no overlap between the top-scoring compounds from protein-ligand versus ligand-based scoring, indicating the two approaches provide complementary information. Matchprint analysis, a new addition to the SLIDE (Screening Ligands by Induced-fit Docking, Efficiently) screening toolset, facilitated comparison of docked molecules' interactions with those of known inhibitors. The majority of interactions conserved among top-scoring compounds for a given scoring function, and from the different scoring functions, proved to be conserved interactions in known inhibitors. This was particularly true in the S1 pocket, which was occupied by all the docked compounds. (c) 2009 John Wiley & Sons, Ltd.

Department of Defense Strategy to Support Multi-Agency Bat Conservation Initiative within the State of Utah

DTIC Science & Technology

2008-02-28

Range, and Section are entered. Datum: Geometric reference surface. Original Site Location datum is defined by user’s map datum; e.g. NAD27...Section are entered. Datum: Geometric reference surface. Original Site Location datum is defined by user’s map datum; e.g. NAD27 Conus or NAD83...Calculated and recorded automatically if the fields UTM_N and UTM_E or Township, Range, and Section are entered. 41 Datum: Geometric reference surface

A simple and efficient method for predicting protein-protein interaction sites.

PubMed

Higa, R H; Tozzi, C L

2008-09-23

Computational methods for predicting protein-protein interaction sites based on structural data are characterized by an accuracy between 70 and 80%. Some experimental studies indicate that only a fraction of the residues, forming clusters in the center of the interaction site, are energetically important for binding. In addition, the analysis of amino acid composition has shown that residues located in the center of the interaction site can be better discriminated from the residues in other parts of the protein surface. In the present study, we implement a simple method to predict interaction site residues exploiting this fact and show that it achieves a very competitive performance compared to other methods using the same dataset and criteria for performance evaluation (success rate of 82.1%).

Structure of Poly(dialkylsiloxane) Melts:  Comparisons of Wide-Angle X-ray Scattering, Molecular Dynamics Simulations, and Integral Equation Theory

DOE PAGES

Habenschuss, Anton; Tsige, Mesfin; Curro, John G.; ...

2007-08-21

Here, wide-angle X-ray scattering, molecular dynamics (MD) simulations, and integral equation theory are used to study the structure of poly(diethylsiloxane) (PDES), poly(ethylmethylsiloxane) (PEMS), and poly(dimethylsiloxane) (PDMS) melts. The structure functions of PDES, PEMS, and PDMS are similar, but systematic trends in the intermolecular packing are observed. The local intramolecular structure is extracted from the experimental structure functions. The bond distances and bond angles obtained, including the large Si-O-Si angle, are in good agreement with the explicit atom (EA) and united atom (UA) potentials used in the simulations and theory and from other sources. Very good agreement is found between themore » MD simulations using the EA potentials and the experimental scattering results. Good agreement is also found between the polymer reference interaction site model (PRISM theory) and the UA MD simulations. The intermolecular structure is examined experimentally using an appropriately weighted radial distribution function and with theory and simulation using intermolecular site/site pair correlation functions. Finally, experiment, simulation, and theory show systematic increases in the chain/chain packing distances in the siloxanes as the number of sites in the pendant side chains is increased.« less

Substrate-binding specificity of chitinase and chitosanase as revealed by active-site architecture analysis.

PubMed

Liu, Shijia; Shao, Shangjin; Li, Linlin; Cheng, Zhi; Tian, Li; Gao, Peiji; Wang, Lushan

2015-12-11

Chitinases and chitosanases, referred to as chitinolytic enzymes, are two important categories of glycoside hydrolases (GH) that play a key role in degrading chitin and chitosan, two naturally abundant polysaccharides. Here, we investigate the active site architecture of the major chitosanase (GH8, GH46) and chitinase families (GH18, GH19). Both charged (Glu, His, Arg, Asp) and aromatic amino acids (Tyr, Trp, Phe) are observed with higher frequency within chitinolytic active sites as compared to elsewhere in the enzyme structure, indicating significant roles related to enzyme function. Hydrogen bonds between chitinolytic enzymes and the substrate C2 functional groups, i.e. amino groups and N-acetyl groups, drive substrate recognition, while non-specific CH-π interactions between aromatic residues and substrate mainly contribute to tighter binding and enhanced processivity evident in GH8 and GH18 enzymes. For different families of chitinolytic enzymes, the number, type, and position of substrate atoms bound in the active site vary, resulting in different substrate-binding specificities. The data presented here explain the synergistic action of multiple enzyme families at a molecular level and provide a more reasonable method for functional annotation, which can be further applied toward the practical engineering of chitinases and chitosanases. Copyright © 2015 Elsevier Ltd. All rights reserved.

Associations of stream health to altered flow and water temperature in the Sierra Nevada, California

USGS Publications Warehouse

Carlisle, Daren M.; S. Mark Nelson,; May, Jason

2016-01-01

Alteration of streamflow and thermal conditions may adversely affect lotic invertebrate communities, but few studies have assessed these phenomena using indicators that control for the potentially confounding influence of natural variability. We designed a study to assess how flow and thermal alteration influence stream health – as indicated by the condition of invertebrate communities. We studied thirty streams in the Sierra Nevada, California, that span a wide range of hydrologic modification due to storage reservoirs and hydroelectric diversions. Daily water temperature and streamflows were monitored, and basic chemistry and habitat conditions were characterized when invertebrate communities were sampled. Streamflow alteration, thermal alteration, and invertebrate condition were quantified by predicting site-specific natural expectations using statistical models developed using data from regional reference sites. Monthly flows were typically depleted (relative to natural expectations) during fall, winter, and spring. Most hydrologically altered sites experienced cooled thermal conditions in summer, with mean daily temperatures as much 12 °C below natural expectations. The most influential predictor of invertebrate community condition was the degree of alteration of March flows, which suggests that there are key interactions between hydrological and biological processes during this month in Sierra Nevada streams. Thermal alteration was also an important predictor – particularly at sites with the most severe hydrological alteration.

Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory

NASA Astrophysics Data System (ADS)

Mrugalla, Florian; Kast, Stefan M.

2016-09-01

Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.

Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory.

PubMed

Mrugalla, Florian; Kast, Stefan M

2016-09-01

Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.

Statistical Analyses of Hydrophobic Interactions: A Mini-Review

DOE PAGES

Pratt, Lawrence R.; Chaudhari, Mangesh I.; Rempe, Susan B.

2016-07-14

Here this review focuses on the striking recent progress in solving for hydrophobic interactions between small inert molecules. We discuss several new understandings. First, the inverse temperature phenomenology of hydrophobic interactions, i.e., strengthening of hydrophobic bonds with increasing temperature, is decisively exhibited by hydrophobic interactions between atomic-scale hard sphere solutes in water. Second, inclusion of attractive interactions associated with atomic-size hydrophobic reference cases leads to substantial, nontrivial corrections to reference results for purely repulsive solutes. Hydrophobic bonds are weakened by adding solute dispersion forces to treatment of reference cases. The classic statistical mechanical theory for those corrections is not accuratemore » in this application, but molecular quasi-chemical theory shows promise. Lastly, because of the masking roles of excluded volume and attractive interactions, comparisons that do not discriminate the different possibilities face an interpretive danger.« less

Transfer of innovation on allergic rhinitis and asthma multimorbidity in the elderly (MACVIA-ARIA) - EIP on AHA Twinning Reference Site (GARD research demonstration project).

PubMed

Bousquet, J; Agache, I; Aliberti, M R; Angles, R; Annesi-Maesano, I; Anto, J M; Arnavielhe, S; Asayag, E; Bacci, E; Bedbrook, A; Bachert, C; Baroni, I; Barreto, B A; Bedolla-Barajas, M; Bergmann, K C; Bertorello, L; Bewick, M; Bieber, T; Birov, S; Bindslev-Jensen, C; Blua, A; Bochenska Marciniak, M; Bogus-Buczynska, I; Bosnic-Anticevich, S; Bosse, I; Bourret, R; Bucca, C; Buonaiuto, R; Burguete Cabanas, M T; Caillaud, D; Caimmi, D P; Caiazza, D; Camargos, P; Canfora, G; Cardona, V; Carriazo, A M; Cartier, C; Castellano, G; Chavannes, N H; Cecci, L; Ciaravolo, M M; Cingi, C; Ciceran, A; Colas, L; Colgan, E; Coll, J; Conforti, D; Correia de Sousa, J; Cortés-Grimaldo, R M; Corti, F; Costa, E; Courbis, A L; Cousein, E; Cruz, A A; Custovic, A; Cvetkovski, B; Dario, C; da Silva, J; Dauvilliers, Y; De Blay, F; Dedeu, T; De Feo, G; De Martino, B; Demoly, P; De Vries, G; Di Capua Ercolano, S; Di Carluccio, N; Doulapsi, M; Dray, G; Dubakiene, R; Eller, E; Emuzyte, R; Espinoza-Contreras, J G; Estrada-Cardona, A; Farrell, J; Farsi, A; Ferrero, J; Fokkens, W J; Fonseca, J; Fontaine, J F; Forti, S; Gálvez-Romero, J L; García-Cobas, C I; Garcia Cruz, M H; Gemicioğlu, B; Gerth van Wijk, R; Guidacci, M; Gómez-Vera, J; Guldemond, N A; Gutter, Z; Haahtela, T; Hajjam, J; Hellings, P W; Hernández-Velázquez, L; Illario, M; Ivancevich, J C; Jares, E; Joos, G; Just, J; Kalayci, O; Kalyoncu, A F; Karjalainen, J; Keil, T; Khaltaev, N; Klimek, L; Kritikos, V; Kull, I; Kuna, P; Kvedariene, V; Kolek, V; Krzych-Fałta, E; Kupczyk, M; Lacwik, P; La Grutta, S; Larenas-Linnemann, D; Laune, D; Lauri, D; Lavrut, J; Lessa, M; Levato, G; Lewis, L; Lieten, I; Lipiec, A; Louis, R; Luna-Pech, J A; Magnan, A; Malva, J; Maspero, J F; Matta-Campos, J J; Mayora, O; Medina-Ávalos, M A; Melén, E; Menditto, E; Millot-Keurinck, J; Moda, G; Morais-Almeida, M; Mösges, R; Mota-Pinto, A; Mullol, J; Muraro, A; Murray, R; Noguès, M; Nalin, M; Napoli, L; Neffen, H; O'Hehir, R E; Onorato, G L; Palkonen, S; Papadopoulos, N G; Passalacqua, G; Pépin, J L; Pereira, A M; Persico, M; Pfaar, O; Pozzi, A C; Prokopakis, E; Pugin, B; Raciborski, F; Rimmer, J; Rizzo, J A; Robalo-Cordeiro, C; Rodríguez-González, M; Rolla, G; Roller-Wirnsberger, R E; Romano, A; Romano, M; Romano, M R; Salimäki, J; Samolinski, B; Serpa, F S; Shamai, S; Sierra, M; Sova, M; Sorlini, M; Stellato, C; Stelmach, R; Strandberg, T; Stroetmann, V; Stukas, R; Szylling, A; Tan, R; Tibaldi, V; Todo-Bom, A; Toppila-Salmi, S; Tomazic, P; Trama, U; Triggiani, M; Valero, A; Valovirta, E; Valiulis, A; van Eerd, M; Vasankari, T; Vatrella, A; Ventura, M T; Verissimo, M T; Viart, F; Williams, S; Wagenmann, M; Wanscher, C; Westman, M; Wickman, M; Young, I; Yorgancioglu, A; Zernotti, E; Zuberbier, T; Zurkuhlen, A; De Oliviera, B; Senn, A

2018-01-01

The overarching goals of the European Innovation Partnership on Active and Healthy Ageing (EIP on AHA) are to enable European citizens to lead healthy, active and independent lives whilst ageing. The EIP on AHA includes 74 Reference Sites. The aim of this study was to transfer innovation from an app developed by the MACVIA-France EIP on AHA reference site (Allergy Diary) to other reference sites. The phenotypic characteristics of rhinitis and asthma multimorbidity in adults and the elderly will be compared using validated information and communication technology (ICT) tools (i.e. the Allergy Diary and CARAT: Control of Allergic Rhinitis and Asthma Test) in 22 Reference Sites or regions across Europe. This will improve the understanding, assessment of burden, diagnosis and management of rhinitis in the elderly by comparison with an adult population. Specific objectives will be: (i) to assess the percentage of adults and elderly who are able to use the Allergy Diary, (ii) to study the phenotypic characteristics and treatment over a 1-year period of rhinitis and asthma multimorbidity at baseline (cross-sectional study) and (iii) to follow-up using visual analogue scale (VAS). This part of the study may provide some insight into the differences between the elderly and adults in terms of response to treatment and practice. Finally (iv) work productivity will be examined in adults. © 2017 EAACI and John Wiley and Sons A/S. Published by John Wiley and Sons Ltd.

Chromosomal aberrations in Sigmodon hispidus from a Superfund site

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bowers, B.; McBee, K.; Lochmiller, R.

1995-12-31

Cotton rats (Sigmodon hispidus) were collected from an EPA Superfund site located on an abandoned oil refinery. Three trapping grids were located on the refinery and three similar grids were located at uncontaminated localities which served as reference sites. Bone marrow metaphase chromosome preparations were examined for chromosomal damage. For each individual, 50 cells were scored for six classes of chromosomal lesions. For the fall 1991 trapping period, mean number of aberrant cells per individual was 2.33, 0.85, and 1.50 for the three Superfund grids., Mean number of aberrant cells per individual was 2.55, 2.55, and 2.12 from the referencemore » grids. Mean number of lesions per cell was 2.77, 0.86, and 1.9 from the Superfund grids, and 3.55, 2.77, and 2.50 from the reference grids. For the spring 1992 trapping period, more damage was observed in animals from both Superfund and reference sites; however, animals from Superfund grids had more damage than animals from reference grids. Mean number of aberrant cells per individual was 3.50, 3.25, and 3.70 from the Superfund grids, and 2.40, 2.11, and 1.40 from the reference grids. Mean number of lesions per cell was 4.80, 4.25, and 5.50 from the Superfund grids, and 2.60, 2.33, and 1.50 from the reference grids. These data suggest animals may be more susceptible to chromosomal damage during winter months, and animals from the Superfund grids appear to be more severely affected than animals from reference grids.« less

Linking in situ LAI and fine resolution remote sensing data to map reference LAI over cropland and grassland using geostatistical regression method

NASA Astrophysics Data System (ADS)

He, Yaqian; Bo, Yanchen; Chai, Leilei; Liu, Xiaolong; Li, Aihua

2016-08-01

Leaf Area Index (LAI) is an important parameter of vegetation structure. A number of moderate resolution LAI products have been produced in urgent need of large scale vegetation monitoring. High resolution LAI reference maps are necessary to validate these LAI products. This study used a geostatistical regression (GR) method to estimate LAI reference maps by linking in situ LAI and Landsat TM/ETM+ and SPOT-HRV data over two cropland and two grassland sites. To explore the discrepancies of employing different vegetation indices (VIs) on estimating LAI reference maps, this study established the GR models for different VIs, including difference vegetation index (DVI), normalized difference vegetation index (NDVI), and ratio vegetation index (RVI). To further assess the performance of the GR model, the results from the GR and Reduced Major Axis (RMA) models were compared. The results show that the performance of the GR model varies between the cropland and grassland sites. At the cropland sites, the GR model based on DVI provides the best estimation, while at the grassland sites, the GR model based on DVI performs poorly. Compared to the RMA model, the GR model improves the accuracy of reference LAI maps in terms of root mean square errors (RMSE) and bias.

References for Haplotype Imputation in the Big Data Era

PubMed Central

Li, Wenzhi; Xu, Wei; Li, Qiling; Ma, Li; Song, Qing

2016-01-01

Imputation is a powerful in silico approach to fill in those missing values in the big datasets. This process requires a reference panel, which is a collection of big data from which the missing information can be extracted and imputed. Haplotype imputation requires ethnicity-matched references; a mismatched reference panel will significantly reduce the quality of imputation. However, currently existing big datasets cover only a small number of ethnicities, there is a lack of ethnicity-matched references for many ethnic populations in the world, which has hampered the data imputation of haplotypes and its downstream applications. To solve this issue, several approaches have been proposed and explored, including the mixed reference panel, the internal reference panel and genotype-converted reference panel. This review article provides the information and comparison between these approaches. Increasing evidence showed that not just one or two genetic elements dictate the gene activity and functions; instead, cis-interactions of multiple elements dictate gene activity. Cis-interactions require the interacting elements to be on the same chromosome molecule, therefore, haplotype analysis is essential for the investigation of cis-interactions among multiple genetic variants at different loci, and appears to be especially important for studying the common diseases. It will be valuable in a wide spectrum of applications from academic research, to clinical diagnosis, prevention, treatment, and pharmaceutical industry. PMID:27274952

Arthropod recolonization in the restoration of a semideciduous forest in southeastern Brazil.

PubMed

Pais, Mara P; Varanda, Elenice M

2010-01-01

The use of arthropods for monitoring habitat changes has grown widely in the last decades. In Brazil, however, most of the studies in restored areas have involved only vegetation changes. The present study aimed at investigating recolonization patterns of epigeic arthropods in recently restored sites of semideciduous forests in southeastern Brazil. We compared the community structure of adjoining sites 5, 17, 29 and 36 months old with that at a nearby forest remnant (reference site). We also determined the most abundant species and looked for ecological indicator species of each site age. Arthropods were sampled using pitfall traps, and their assemblages were described and compared with multi- and univariate statistical methods. Species abundance and richness equivalent to the reference site were reached at five months after planting, however species composition was very distinctive not only in relation to the reference site, but also among restored sites. Some of the main species found in this restoration stage are common in agroecosystems or cerrado vegetation. Nevertheless, there was a clear trend of arthropod fauna in restored sites moving toward the fauna in the forest remnant over time. Our results also highlighted ants and termites because of their abundance and ants because of their high value as ecological indicators of restoration age.

Global Paleoclimatic Data for 6000 Yr B.P. (1985) (NDP-011)

DOE Data Explorer

Webb, III, T. [Department of Geological Sciences, Brown University, Providence, Rhode Island (USA)

2012-01-01

To determine regional and global climatic variations during the past 6000 years, pollen, lake level, and marine plankton data from 797 stations were compiled to form a global data set. Radiocarbon dating and dated tephras were used to determine the ages of the specimens. The data available for the pollen data are site number, site name, latitude, longitude, elevation, and percentages of various taxa. For lake-level data, the data are site number, site name, latitude, longitude, and lake-level status. And for marine plankton, the data are site number, site name, latitude, longitude, water depth, date, dating control code, depth of sample, interpolated age of sample, estimated winter and summer sea-surface temperatures, and percentages of various taxa. The data are in 55 files: 5 files for each of 9 geographic regions and 10 supplemental files. The files for each region include (1) a FORMAT file describing the format and contents of the data for that region, (2) an INDEX file containing descriptive information about each site and its data, (3) a DATA file containing the data and available climatic estimates, (4) a PUBINDEX file indexing the bibliographic references associated with each site, and (5) a REFERENCE file containing the bibliographic references. The files range in size from 2 to 66 kB.

Role of manganese oxides in the exposure of mute swans (Cygnus olor) to Pb and other elements in the Chesapeake Bay, USA

USGS Publications Warehouse

Beyer, W.N.; Day, D.

2004-01-01

The aims of this study are to estimate exposure of waterfowl to elements in contaminated sediments in the Chesapeake Bay and to consider the potential role of Mn in influencing bioavailability and exposure. Mute swans living on the Aberdeen Proving Ground were collected and samples of swan digesta were analyzed and compared to samples of feces collected from mute swans living at a nearby reference site. Sediments from the proving ground had elevated concentrations of Cu, S, Se, Zn, As, Co, Cr, Hg and Pb, but concentrations of only the first four of these elements were elevated in swan digesta. Sediments from the proving ground had an elevated mean concentration of total As, about seven times the concentration at the reference site, but the swans from that site were not ingesting more As than were reference swans. Swans at both sites were feeding on submerged aquatic vegetation and ingested about 4% sediment at the proving ground and about 5% sediment at the reference site. None of the concentrations detected in the digesta or livers of the swans was considered toxic, although the concentrations of Cu and Se were high compared to those concentrations reported in other waterfowl. A remarkably high mean concentration of Mn (6900 mg/kg, dry weight) detected in the feces of the reference swans was attributed to the deposition of manganese oxides on vegetation. The ingestion of Pb by swans at the reference site was correlated with Mn and Fe concentrations, rather than with markers of sediment ingestion. The Pb was presumably scavenged by Mn and Fe oxides from the water and deposited on the surface of vegetation. Under some environmental chemical conditions, this route of exposure for Pb is more important than sediment ingestion, which was previously thought to be the main route of exposure.

Leaf Litter Decomposition as a Functional Assessment of a Natural Stream Channel Design Project

NASA Astrophysics Data System (ADS)

Gentry, A.; Word, D.; Carreiro, M.; Jack, J.

2005-05-01

In October 2003, a 965m reach of Wilson Creek (Bernheim Research Forest, Kentucky, USA) was relocated, and meanders and riffle-pool sequences were restored, providing a unique opportunity to measure the re-establishment of post-restoration stream functions. Leaf litter bags were placed across riffles in the restored reach, in an upstream reference site and in two reference streams. Bags were collected for nine months, and mass loss, N dynamics and fungal ergosterol were measured. Daily mass loss rates in the restored and reference riffles in Wilson Creek were faster (k= -0.00759 and k= -0.00855, respectively) than those of the two reference streams (k= -0.00511 and k= -0.00308). This is equivalent to litter mean residence times of 132 days for the restored reach in Wilson, 117 days in the upstream reference site, and 196 and 325 days for the reference streams. It appears that the decay rate in the restored reach is similar to the upstream portion of Wilson Creek, indicating rapid mass loss recovery in the restored reach. We also determined that same-stream reference sites are important for evaluating the restoration of stream functions, because of high decay rate variation among nearby streams within the same watershed.

Fundamental Importance of Reference Glucose Analyzer Accuracy for Evaluating the Performance of Blood Glucose Monitoring Systems (BGMSs)

PubMed Central

Bailey, Timothy S.; Klaff, Leslie J.; Wallace, Jane F.; Greene, Carmine; Pardo, Scott; Harrison, Bern; Simmons, David A.

2016-01-01

Background: As blood glucose monitoring system (BGMS) accuracy is based on comparison of BGMS and laboratory reference glucose analyzer results, reference instrument accuracy is important to discriminate small differences between BGMS and reference glucose analyzer results. Here, we demonstrate the important role of reference glucose analyzer accuracy in BGMS accuracy evaluations. Methods: Two clinical studies assessed the performance of a new BGMS, using different reference instrument procedures. BGMS and YSI analyzer results were compared for fingertip blood that was obtained by untrained subjects’ self-testing and study staff testing, respectively. YSI analyzer accuracy was monitored using traceable serum controls. Results: In study 1 (N = 136), 94.1% of BGMS results were within International Organization for Standardization (ISO) 15197:2013 accuracy criteria; YSI analyzer serum control results showed a negative bias (−0.64% to −2.48%) at the first site and a positive bias (3.36% to 6.91%) at the other site. In study 2 (N = 329), 97.8% of BGMS results were within accuracy criteria; serum controls showed minimal bias (<0.92%) at both sites. Conclusions: These findings suggest that the ability to demonstrate that a BGMS meets accuracy guidelines is influenced by reference instrument accuracy. PMID:26902794

Theoretical investigation of polarization effects in solution: Importance of solvent collective motions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ishida, Tateki

2015-01-22

Recent theoretical studies on interesting topics related to polarization effects in solutions are presented. As one of interesting topics, ionic liquids (ILs) solvents are focused on. The collective dynamics of electronic polarizability through interionic dynamics and the effect of polarization in ILs, 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF{sub 6}]), are studied with molecular dynamics simulation. Also, the time-dependent polarization effect on the probe betaine dye molecule, pyridinium N-phenoxide, in water is investigated by a time-dependent reference interaction site model self-consistent field (time-dependent RISM-SCF) approach. The importance of considering polarization effects on solution systems related to solvent collective motions is shown.

Josephson oscillation and self-trapping in momentum space

NASA Astrophysics Data System (ADS)

Zheng, Yi; Feng, Shiping; Yang, Shi-Jie

2018-04-01

The Creutz ladder model is studied in the presence of unconventional flux induced by complex tunneling rates along and between the two legs. In the vortex phase, the double-minima band structure is regarded as a double well. By introducing a tunable coupling between the two momentum minima, we demonstrate a phenomenon of Josephson oscillations in momentum space. The condensate density locked in one of the momentum valleys is referred to as macroscopic quantum self-trapping. The on-site interaction of the lattice provides an effective analogy to the double-well model within the two-mode approximation which allows for a quantitative understanding of the Josephson effect and the self-trapping in momentum space.

The importance and attainment of accurate absolute radiometric calibration

NASA Technical Reports Server (NTRS)

Slater, P. N.

1984-01-01

The importance of accurate absolute radiometric calibration is discussed by reference to the needs of those wishing to validate or use models describing the interaction of electromagnetic radiation with the atmosphere and earth surface features. The in-flight calibration methods used for the Landsat Thematic Mapper (TM) and the Systeme Probatoire d'Observation de la Terre, Haute Resolution visible (SPOT/HRV) systems are described and their limitations discussed. The questionable stability of in-flight absolute calibration methods suggests the use of a radiative transfer program to predict the apparent radiance, at the entrance pupil of the sensor, of a ground site of measured reflectance imaged through a well characterized atmosphere. The uncertainties of such a method are discussed.

Packing of poly(tetrafluoroethylene) in the liquid state: Molecular dynamics simulation and theory

NASA Astrophysics Data System (ADS)

Tsige, Mesfin; Curro, John G.; Grest, Gary S.

2008-12-01

Molecular dynamics simulations and polymer reference interaction site model theory calculations were carried out on the C48F98 oligomer of poly(tetrafluoroethylene) (PTFE) at 500 and 600 K. The exp-6 force field of Borodin, Smith, and Bedrov, was used in both the simulation and theory. The agreement between theory and simulation was equivalent to earlier studies on polyolefin melts. The intermolecular pair correlation functions of PTFE were shifted to larger distances relative to polyethylene (PE) due to the difference in the van der Waals radii of F and H atoms. A similar shift to lower wave vectors was found in the structure factor of PTFE relative to PE.

Flood-deposited wood debris and its contribution to heterogeneity and regeneration in a semi-arid riparian landscape.

PubMed

Pettit, Neil E; Naiman, Robert J

2005-09-01

We investigated whether large woody debris (LWD) piles create nodes of environmental resources that contribute to the recovery of riparian vegetation and that also augment the heterogeneity and resilience of the riverine system. River and riparian systems are typified by a large degree of heterogeneity and complex interactions between abiotic and biotic elements. Disturbance such as floods re-distribute the resources, such as LWD, and thereby add greater complexity to the system. We examined this issue on a semi-arid savanna river where approximately a 100-year return interval flood in 2000 uprooted vegetation and deposited substantial LWD. We investigated the micro-environment within the newly established LWD piles and compared this with conditions at adjacent reference sites containing no LWD. We found soil nutrient concentrations to be significantly higher in LWD piles compared with the reference plots (total N +19%, available P +51%, and total C +36%). Environmental variables within LWD piles and reference sites varied with landscape position in the river-riparian landscape and with LWD pile characteristics. Observed differences were generally between piles located in the terrestrial and riparian areas as compared to piles located on the macro-channel floor. After 3 years the number and cover of woody species were significantly higher when associated with LWD piles, regardless of landscape position or pile type. We conclude that LWD piles formed after large floods act as resource nodes by accumulating fine sediments and by retaining soil nutrients and soil moisture. The subsequent influence of LWD deposition on riparian heterogeneity is discerned at several spatial scales including within and between LWD piles, across landscape positions and between channel types. LWD piles substantially influence the initial developmental of riparian vegetation as the system regenerates following large destructive floods.

Domain-based prediction of the human isoform interactome provides insights into the functional impact of alternative splicing.

PubMed

Ghadie, Mohamed Ali; Lambourne, Luke; Vidal, Marc; Xia, Yu

2017-08-01

Alternative splicing is known to remodel protein-protein interaction networks ("interactomes"), yet large-scale determination of isoform-specific interactions remains challenging. We present a domain-based method to predict the isoform interactome from the reference interactome. First, we construct the domain-resolved reference interactome by mapping known domain-domain interactions onto experimentally-determined interactions between reference proteins. Then, we construct the isoform interactome by predicting that an isoform loses an interaction if it loses the domain mediating the interaction. Our prediction framework is of high-quality when assessed by experimental data. The predicted human isoform interactome reveals extensive network remodeling by alternative splicing. Protein pairs interacting with different isoforms of the same gene tend to be more divergent in biological function, tissue expression, and disease phenotype than protein pairs interacting with the same isoforms. Our prediction method complements experimental efforts, and demonstrates that integrating structural domain information with interactomes provides insights into the functional impact of alternative splicing.

Domain-based prediction of the human isoform interactome provides insights into the functional impact of alternative splicing

PubMed Central

Lambourne, Luke; Vidal, Marc

2017-01-01

Alternative splicing is known to remodel protein-protein interaction networks (“interactomes”), yet large-scale determination of isoform-specific interactions remains challenging. We present a domain-based method to predict the isoform interactome from the reference interactome. First, we construct the domain-resolved reference interactome by mapping known domain-domain interactions onto experimentally-determined interactions between reference proteins. Then, we construct the isoform interactome by predicting that an isoform loses an interaction if it loses the domain mediating the interaction. Our prediction framework is of high-quality when assessed by experimental data. The predicted human isoform interactome reveals extensive network remodeling by alternative splicing. Protein pairs interacting with different isoforms of the same gene tend to be more divergent in biological function, tissue expression, and disease phenotype than protein pairs interacting with the same isoforms. Our prediction method complements experimental efforts, and demonstrates that integrating structural domain information with interactomes provides insights into the functional impact of alternative splicing. PMID:28846689

Polycyclic aromatic hydrocarbons affect survival and development of common snapping turtle (Chelydra serpentina) embryos and hatchlings.

PubMed

Van Meter, Robin J; Spotila, James R; Avery, Harold W

2006-08-01

Polycyclic aromatic hydrocarbons (PAHs) are toxic compounds found in the John Heinz National Wildlife Refuge in Philadelphia, Pennsylvania. We assessed the impact of PAHs and crude oil on snapping turtle development and behavior by exposing snapping turtle eggs from the Refuge and from three clean reference sites to individual PAHs or a crude oil mixture at stage 9 of embryonic development. Exposure to PAHs had a significant effect on survival rates in embryos from one clean reference site, but not in embryos from the other sites. There was a positive linear relationship between level of exposure to PAHs and severity of deformities in embryos collected from two of the clean reference sites. Neither righting response nor upper temperature tolerance (critical thermal maximum, CTM) of snapping turtle hatchlings with no or minor deformities was significantly affected by exposure to PAHs.

New design and facilities for the International Database for Absolute Gravity Measurements (AGrav): A support for the Establishment of a new Global Absolute Gravity Reference System

NASA Astrophysics Data System (ADS)

Wziontek, Hartmut; Falk, Reinhard; Bonvalot, Sylvain; Rülke, Axel

2017-04-01

After about 10 years of successful joint operation by BGI and BKG, the International Database for Absolute Gravity Measurements "AGrav" (see references hereafter) was under a major revision. The outdated web interface was replaced by a responsive, high level web application framework based on Python and built on top of Pyramid. Functionality was added, like interactive time series plots or a report generator and the interactive map-based station overview was updated completely, comprising now clustering and the classification of stations. Furthermore, the database backend was migrated to PostgreSQL for better support of the application framework and long-term availability. As comparisons of absolute gravimeters (AG) become essential to realize a precise and uniform gravity standard, the database was extended to document the results on international and regional level, including those performed at monitoring stations equipped with SGs. By this it will be possible to link different AGs and to trace their equivalence back to the key comparisons under the auspices of International Committee for Weights and Measures (CIPM) as the best metrological realization of the absolute gravity standard. In this way the new AGrav database accommodates the demands of the new Global Absolute Gravity Reference System as recommended by the IAG Resolution No. 2 adopted in Prague 2015. The new database will be presented with focus on the new user interface and new functionality, calling all institutions involved in absolute gravimetry to participate and contribute with their information to built up a most complete picture of high precision absolute gravimetry and improve its visibility. A Digital Object Identifier (DOI) will be provided by BGI to contributors to give a better traceability and facilitate the referencing of their gravity surveys. Links and references: BGI mirror site : http://bgi.obs-mip.fr/data-products/Gravity-Databases/Absolute-Gravity-data/ BKG mirror site: http://agrav.bkg.bund.de/agrav-meta/ Wilmes, H., H. Wziontek, R. Falk, S. Bonvalot (2009). AGrav - the New Absolute Gravity Database and a Proposed Cooperation with the GGP Project. J. of Geodynamics, 48, pp. 305-309. doi:10.1016/j.jog.2009.09.035. Wziontek, H., H. Wilmes, S. Bonvalot (2011). AGrav: An international database for absolute gravity measurements. In Geodesy for Planet Earth (S. Kenyon at al. eds). IAG Symposia, 136, 1035-1040, Springer, Berlin. 2011. doi:10.1007/978-3-642-20338-1_130.

Appilications of National Wetland Condition Assessment Data ...

EPA Pesticide Factsheets

The first National Wetland Condition Assessment (NWCA) was conducted in 2011 by the US Environmental Protection Agency (USEPA) and its federal and state partners, using a survey design allowing extrapolation of results to national and regional scales. Vegetation, algae, soil, water chemistry, and hydrologic data were collected at each of 1138 locations across the contiguous US. Ecological condition was assessed in relation to a disturbance gradient anchored by least (reference) and most disturbed sites and identified using chemical, physical, and biological disturbance indices based on site-level data. A vegetation multimetric index (VMMI) was used as the indicator of condition. Potential stressors to condition were incorporated into indices of hydrologic alteration, physical alteration and a soil heavy metals, and a nonnative plant indicator. The indices were used to quantify national and regional stressor extent, and their associated relative and attributable risk. All 1138 sites sampled were placed along a quantitatively defined disturbance gradient customized by the ecoregions used in NWCA reporting. The characteristics of the 277 sites at the end of the gradient identified as least disturbed were considered reference condition. The pool of reference sites will be increased with future assessments using the definition of reference set in 2011 and can serve as a benchmark for management decisions and restoration. Approximately 48±6% of the national wetland

Temporal upscaling of instantaneous evapotranspiration on clear-sky days using the constant reference evaporative fraction method with fixed or variable surface resistances at two cropland sites

NASA Astrophysics Data System (ADS)

Tang, Ronglin; Li, Zhao-Liang; Sun, Xiaomin; Bi, Yuyun

2017-01-01

Surface evapotranspiration (ET) is an important component of water and energy in land and atmospheric systems. This paper investigated whether using variable surface resistances in the reference ET estimates from the full-form Penman-Monteith (PM) equation could improve the upscaled daily ET estimates in the constant reference evaporative fraction (EFr, the ratio of actual to reference grass/alfalfa ET) method on clear-sky days using ground-based measurements. Half-hourly near-surface meteorological variables and eddy covariance (EC) system-measured latent heat flux data on clear-sky days were collected at two sites with different climatic conditions, namely, the subhumid Yucheng station in northern China and the arid Yingke site in northwestern China and were used as the model input and ground-truth, respectively. The results showed that using the Food and Agriculture Organization (FAO)-PM equation, the American Society of Civil Engineers-PM equation, and the full-form PM equation to estimate the reference ET in the constant EFr method produced progressively smaller upscaled daily ET at a given time from midmorning to midafternoon. Using all three PM equations produced the best results at noon at both sites regardless of whether the energy imbalance of the EC measurements was closed. When the EC measurements were not corrected for energy imbalance, using variable surface resistance in the full-form PM equation could improve the ET upscaling in the midafternoon, but worse results may occur in the midmorning to noon. Site-to-site and time-to-time variations were found in the performances of a given PM equation (with fixed or variable surface resistances) before and after the energy imbalance was closed.

A regional assessment of salt marsh restoration and monitoring in the Gulf of Maine

USGS Publications Warehouse

Konisky, R.A.; Burdick, D.M.; Dionne, M.; Neckles, H.A.

2006-01-01

We compiled salt marsh monitoring datasets from 36 complete or imminent restoration projects in the Gulf of Maine to assess regional monitoring and restoration practices. Data were organized by functional indicators and restoration project types (culvert replacement, excavation works, or ditch plugging) then pooled to generate mean values for indicators before restoration, after restoration, and at reference sites. Monitoring data were checked against the regional standards of a voluntary protocol for the Gulf of Maine. Data inventories showed that vegetation and salinity indicators were most frequently collected (89 and 78% of sites, respectively), whereas nekton, bird, and hydrologic measures were collected at only about half of the sites. Reference conditions were monitored at 72% of sites. Indicators were analyzed to see if project sites were degraded relative to reference areas and to detect ecological responses to restoration activities. Results showed that compared to reference areas, prerestoration sites had smaller tidal ranges, reduced salinity levels, greater cover of brackish plants species, and lower cover of halophyte plants. Following restoration, physical factors rebounded rapidly with increased flood and salinity levels after about one year, especially for culvert projects. Biological responses were less definitive and occurred over longer time frames. Plant communities trended toward recovered halophytes and reduced brackish species at 3+ years following restoration. Nekton and avian indicators were indistinguishable among reference, impacted, and restored areas. The protocol was successful in demonstrating restoration response for the region, but results were limited by regional inconsistencies in field practices and relatively few multiyear datasets. To improve future assessment capabilities, we encourage greater adherence to the standard protocol throughout the Gulf of Maine salt marsh restoration community.

ATP and AMP Mutually Influence Their Interaction with the ATP-binding Cassette (ABC) Adenylate Kinase Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) at Separate Binding Sites*

PubMed Central

Randak, Christoph O.; Dong, Qian; Ver Heul, Amanda R.; Elcock, Adrian H.; Welsh, Michael J.

2013-01-01

Cystic fibrosis transmembrane conductance regulator (CFTR) is an anion channel in the ATP-binding cassette (ABC) transporter protein family. In the presence of ATP and physiologically relevant concentrations of AMP, CFTR exhibits adenylate kinase activity (ATP + AMP ⇆ 2 ADP). Previous studies suggested that the interaction of nucleotide triphosphate with CFTR at ATP-binding site 2 is required for this activity. Two other ABC proteins, Rad50 and a structural maintenance of chromosome protein, also have adenylate kinase activity. All three ABC adenylate kinases bind and hydrolyze ATP in the absence of other nucleotides. However, little is known about how an ABC adenylate kinase interacts with ATP and AMP when both are present. Based on data from non-ABC adenylate kinases, we hypothesized that ATP and AMP mutually influence their interaction with CFTR at separate binding sites. We further hypothesized that only one of the two CFTR ATP-binding sites is involved in the adenylate kinase reaction. We found that 8-azidoadenosine 5′-triphosphate (8-N3-ATP) and 8-azidoadenosine 5′-monophosphate (8-N3-AMP) photolabeled separate sites in CFTR. Labeling of the AMP-binding site with 8-N3-AMP required the presence of ATP. Conversely, AMP enhanced photolabeling with 8-N3-ATP at ATP-binding site 2. The adenylate kinase active center probe P1,P5-di(adenosine-5′) pentaphosphate interacted simultaneously with an AMP-binding site and ATP-binding site 2. These results show that ATP and AMP interact with separate binding sites but mutually influence their interaction with the ABC adenylate kinase CFTR. They further indicate that the active center of the adenylate kinase comprises ATP-binding site 2. PMID:23921386

Protein-Protein Interaction Site Predictions with Three-Dimensional Probability Distributions of Interacting Atoms on Protein Surfaces

PubMed Central

Chen, Ching-Tai; Peng, Hung-Pin; Jian, Jhih-Wei; Tsai, Keng-Chang; Chang, Jeng-Yih; Yang, Ei-Wen; Chen, Jun-Bo; Ho, Shinn-Ying; Hsu, Wen-Lian; Yang, An-Suei

2012-01-01

Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI) sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins) and were tested on an independent dataset (consisting of 142 proteins). The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted correctly with the physicochemical complementarity features based on the non-covalent interaction data derived from protein interiors. PMID:22701576

Corticosterone stress response in tree swallows nesting near polychlorinated biphenyl- and dioxin-contaminated rivers

USGS Publications Warehouse

Franceschini, M.D.; Custer, Christine M.; Custer, T.W.; Reed, J.M.; Romero, L.M.

2008-01-01

We assayed baseline and stress-induced corticosterone concentrations from adult female and nestling tree swallows, Tachycineta bicolor, from New England, USA, sites with different levels of contamination with polychlorinated biphenyls (PCBs) and 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD). Corticosterone was compared over 2 years from a highly contaminated PCB site along the Housatonic River (Berkshire County, MA, USA), a midrange contaminated site upstream, and a reference site. Adult females (n = 29), sampled only in 2003, showed an inverted-U association with PCBs, with higher stress-induced corticosterone with midrange contamination than at the high-contamination site. In nestlings, stress-induced corticosterone was highest for the highly contaminated site compared with the other sites in 2003 (n = 53, 29 nests), with no difference among sites in 2004 (n = 93, 27 nests). In 2004, we began testing mechanisms underlying these changes in nestlings at the high- and low-PCB sites. Corticosterone response to dexamethasone injection (used to test negative feedback) was not different between sites, but stress-induced corticosterone was reduced at the contaminated site after adrenocorticotropin hormone injection (used to test adrenal responsiveness), suggesting an inhibited ability to mount a stress response. We also compared nestlings from a stretch of the Woonasquatucket River, Rhode Island, USA, heavily contaminated with TCDD (n = 80, 43 nests) with nestlings from an upstream site that had lower levels of TCDD and the Berkshire County reference site. Although there were no stress-induced differences, baseline corticosterone was lower at the higher TCDD site than at the reference site. Altogether these findings suggest that tree swallows chronically exposed to high PCB and TCDD levels exhibit altered baseline and stress-induced corticosterone responses, but the patterns of alteration might not be predictable. ?? 2008 SETAC.

Narrative Structure and Emotional References in Parent-Child Reminiscing: Associations with Child Gender, Temperament, and the Quality of Parent-Child Interactions

ERIC Educational Resources Information Center

Bost, Kelly K.; Choi, Eunsil; Wong, Maria S.

2010-01-01

The present research examined child gender, temperament, and the quality of parent-child interactions as predictors of narrative style and references to emotion during mother-child and father-child reminiscing. Although models predicting parents' narrative styles were non-significant, results revealed significant interactions between parental…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pratt, Lawrence R.; Chaudhari, Mangesh I.; Rempe, Susan B.

Here this review focuses on the striking recent progress in solving for hydrophobic interactions between small inert molecules. We discuss several new understandings. First, the inverse temperature phenomenology of hydrophobic interactions, i.e., strengthening of hydrophobic bonds with increasing temperature, is decisively exhibited by hydrophobic interactions between atomic-scale hard sphere solutes in water. Second, inclusion of attractive interactions associated with atomic-size hydrophobic reference cases leads to substantial, nontrivial corrections to reference results for purely repulsive solutes. Hydrophobic bonds are weakened by adding solute dispersion forces to treatment of reference cases. The classic statistical mechanical theory for those corrections is not accuratemore » in this application, but molecular quasi-chemical theory shows promise. Lastly, because of the masking roles of excluded volume and attractive interactions, comparisons that do not discriminate the different possibilities face an interpretive danger.« less

Lipid Interaction Sites on Channels, Transporters and Receptors: Recent Insights from Molecular Dynamics Simulations

PubMed Central

Hedger, George; Sansom, Mark S. P.

2017-01-01

Lipid molecules are able to selectively interact with specific sites on integral membrane proteins, and modulate their structure and function. Identification and characterisation of these sites is of importance for our understanding of the molecular basis of membrane protein function and stability, and may facilitate the design of lipid-like drug molecules. Molecular dynamics simulations provide a powerful tool for the identification of these sites, complementing advances in membrane protein structural biology and biophysics. We describe recent notable biomolecular simulation studies which have identified lipid interaction sites on a range of different membrane proteins. The sites identified in these simulation studies agree well with those identified by complementary experimental techniques. This demonstrates the power of the molecular dynamics approach in the prediction and characterization of lipid interaction sites on integral membrane proteins. PMID:26946244

Response of imperiled Okaloosa darters to stream restoration

USGS Publications Warehouse

Reeves, David B.; Tate, William B.; Jelks, Howard L.; Jordan, Frank

2016-01-01

The Okaloosa Darter Etheostoma okaloosae is a small percid endemic to six stream drainages in northwestern Florida. The U.S. Fish and Wildlife Service listed Okaloosa Darters as endangered in 1973 and downlisted them to threatened in 2011 because of habitat improvements and increasing abundance across much of their geographic range. Delisting is possible if remaining recovery criteria are met, including restoration of degraded stream reaches. Impounded reaches of Anderson Branch, Mill Creek, and Toms Creek were restored by removing impediments to water flow, draining impoundments, and reconstructing stream reaches. Restorations of Anderson Branch and Mill Creek were designed to rehabilitate populations of Okaloosa Darters without significantly affecting popular recreational activities at these locations. Restorations were evaluated from 2007 to 2013 by comparing counts of Okaloosa Darters and the composition of microhabitats in restored and nearby undisturbed reference sites. Okaloosa Darters were absent from degraded stream reaches at the beginning of the study, but they rapidly colonized once restorations were completed. Counts of Okaloosa Darters in reference and restoration sites in Anderson Branch were similar by the end of the study, whereas counts in restoration sites were significantly lower than nearby reference sites in Mill and Toms creeks. Restoration sites tended to have lower coverage of sand and root and higher coverage of macrophytes. As riparian vegetation surrounding restoration sites matures to a closed canopy that reduces excessive growth of macrophytes, stream microhabitats and numbers of darters will probably become similar to reference sites. Restoration of degraded stream sites increased abundance and distribution of Okaloosa Darters and reconnected formerly isolated upstream and downstream populations. These projects demonstrated that restoration is a useful conservation tool for imperiled fishes such as Okaloosa Darters and can be undertaken without interfering with popular recreational activities.

Results of Joint Observations of Jupiter's Atmosphere by Juno and a Network of Earth-Based Observing Stations

NASA Astrophysics Data System (ADS)

Orton, G. S.; Momary, T.; Tabataba-Vakili, F.; Bolton, S.; Levin, S.; Adriani, A.; Gladstone, G. R.; Hansen, C. J.; Janssen, M.

2017-09-01

Well over sixty investigator/instrument investigations are actively engaged in the support of the Juno mission. These observations range from X-ray to the radio wavelengths and involve both space- and ground-based astronomical facilities. These observations enhance and expand Juno measurements by (1) providing a context that expands the area covered by often narrow spatial coverage of Juno's instruments, (2) providing a temporal context that shows how phenomena evolve over Juno's 53-day orbit period, (3) providing observations in spectral ranges not covered by Juno's instruments, and (4) monitoring the behavior of external influences to Jupiter's magnetosphere. Intercommunication between the Juno scientists and the support program is maintained by reference to a Google table that describes the observation and its current status, as well as by occasional group emails. A non-interactive version of this invitation-only site is mirrored in a public site. Several sets of these supporting observations are described at this meeting.

Nursing care systematization as a multidimensional and interactive phenomenon.

PubMed

Backes, Dirce Stein; Koerich, Magda Santos; Nascimento, Keyla Cristiane do; Erdmann, Alacoque Lorenzini

2008-01-01

This study aimed to understand the meaning of Nursing Care Systematization (NCS) for multiprofessional health team professionals based on the relationships, interactions and associations of Complex thought. This qualitative study uses Grounded Theory as a methodological reference framework. Data were obtained through interviews with three sample groups, totaling 15 professionals from different institutions. Simultaneous data codification and analysis identified the central theme: 'Glimpsing nursing care systematization as an interactive and multidimensional phenomenon' and the respective reference model. NCS appoints, in addition to interactivity and professional complementarity, the importance of dialog and connection between the academy, health practices and regulatory offices, based on new reference frameworks for the organization of health practices.

Development of web tools to disseminate space geodesy data-related products

NASA Astrophysics Data System (ADS)

Soudarin, L.; Ferrage, P.; Mezerette, A.

2014-12-01

In order to promote the products of the DORIS system, the French Space Agency CNES has developed and implemented on the web site of the International DORIS Service (IDS) a set of plot tools to interactively build and display time series of site positions, orbit residuals and terrestrial parameters (scale, geocenter). An interactive global map is also available to select sites, and to get access to their information. Besides the products provided by the CNES Orbitography Team and the IDS components, these tools allow comparing time evolutions of coordinates for collocated DORIS and GNSS stations, thanks to the collaboration with the Terrestrial Frame Combination Center of the International GNSS Service (IGS). The next step currently in progress is the creation of a database to improve robustness and efficiency of the tools, with the objective to propose a complete web service to foster data exchange with the other geodetic services of the International Association of Geodesy (IAG). The possibility to visualize and compare position time series of the four main space geodetic techniques DORIS, GNSS, SLR and VLBI is already under way at the French level. A dedicated version of these web tools has been developed for the French Space Geodesy Research Group (GRGS). It will give access to position time series provided by the GRGS Analysis Centers involved in DORIS, GNSS, SLR and VLBI data processing for the realization of the International Terrestrial Reference Frame. In this presentation, we will describe the functionalities of these tools, and we will address some aspects of the time series (content, format).

Directional genetic selection by pulp mill effluent on multiple natural populations of three-spined stickleback (Gasterosteus aculeatus).

PubMed

Lind, Emma E; Grahn, Mats

2011-05-01

Contamination can cause a rapid environmental change which may require populations to respond with evolutionary changes. To evaluate the effects of pulp mill effluents on population genetics, we sampled three-spined sticklebacks (Gasterosteus aculeatus) near four pulp mills and four adjacent reference sites and analyzed Amplified Fragment Length Polymorphism (AFLP) to compare genetic variability. A fine scale genetic structure was detected and samples from polluted sites separated from reference sites in multidimensional scaling plots (P<0.005, 1000 permutations) and locus-by-locus Analysis of Molecular Variance (AMOVA) further confirmed that habitats are significantly separated (F(ST)=0.021, P<0.01, 1023 permutations). The amount of genetic variation between populations did not differ between habitats, and populations from both habitats had similar levels of heterozygosity (polluted sites Nei's Hs=0.11, reference sites Nei's Hs=0.11). Still, pairwise F(ST): s between three, out of four, pairs of polluted-reference sites were significant. A F(ST)-outlier analysis showed that 21 (8.4%) loci were statistically different from a neutral distribution at the P<0.05 level and therefore indicated to be under divergent selection. When removing 13 F(ST)-outlier loci, significant at the P<0.01 level, differentiation between habitats disappeared in a multidimensional scaling plot. In conclusion, pulp mill effluence has acted as a selective agent on natural populations of G. aculeatus, causing a convergence in genotype composition change at multiple sites in an open environment. © The Author(s) 2011. This article is published with open access at Springerlink.com

Assessment of oxidative stress markers and concentrations of selected elements in the leaves of Cassia occidentalis growing wild on a coal fly ash basin.

PubMed

Love, Amit; Banerjee, B D; Babu, C R

2013-08-01

Assessment of oxidative stress levels and tissue concentrations of elements in plants growing wild on fly ash basins is critical for realistic hazard identification of fly ash disposal areas. Hitherto, levels of oxidative stress markers in plants growing wild on fly ash basins have not been adequately investigated. We report here concentrations of selected metal and metalloid elements and levels of oxidative stress markers in leaves of Cassia occidentalis growing wild on a fly ash basin (Badarpur Thermal Power Station site) and a reference site (Garhi Mandu Van site). Plants growing on the fly ash basin had significantly high foliar concentration of As, Ni, Pb and Se and low foliar concentration of Mn and Fe compared to the plants growing on the reference site. The plants inhabiting the fly ash basin showed signs of oxidative stress and had elevated levels of lipid peroxidation, electrolyte leakage from cells and low levels of chlorophyll a and total carotenoids compared to plants growing at the reference site. The levels of both protein thiols and nonprotein thiols were elevated in plants growing on the fly ash basin compared to plants growing on the reference site. However, no differences were observed in the levels of cysteine, reduced glutathione and oxidized glutathione in plants growing at both the sites. Our study suggests that: (1) fly ash triggers oxidative stress responses in plants growing wild on fly ash basin, and (2) elevated levels of protein thiols and nonprotein thiols may have a role in protecting the plants from environmental stress.

SUPPORTING THE REDEVELOPMENT OF BROWNFIELD SITES USING SITE-SPECIFIC MANAGEMENT APPROACHES AND REDEVELOPMENT TOOLS (SMART)

EPA Science Inventory

The Site-Specific Management Approaches and Redevelopment Tools (SMART) provides potential solutions for facilitating the redevelopment of brownfield sites. The term "brownfield site" refers to previously developed property whose reuse may be complicated by the presence of hazar...

BindML/BindML+: Detecting Protein-Protein Interaction Interface Propensity from Amino Acid Substitution Patterns.

PubMed

Wei, Qing; La, David; Kihara, Daisuke

2017-01-01

Prediction of protein-protein interaction sites in a protein structure provides important information for elucidating the mechanism of protein function and can also be useful in guiding a modeling or design procedures of protein complex structures. Since prediction methods essentially assess the propensity of amino acids that are likely to be part of a protein docking interface, they can help in designing protein-protein interactions. Here, we introduce BindML and BindML+ protein-protein interaction sites prediction methods. BindML predicts protein-protein interaction sites by identifying mutation patterns found in known protein-protein complexes using phylogenetic substitution models. BindML+ is an extension of BindML for distinguishing permanent and transient types of protein-protein interaction sites. We developed an interactive web-server that provides a convenient interface to assist in structural visualization of protein-protein interactions site predictions. The input data for the web-server are a tertiary structure of interest. BindML and BindML+ are available at http://kiharalab.org/bindml/ and http://kiharalab.org/bindml/plus/ .

Prediction of Protein-Protein Interaction Sites by Random Forest Algorithm with mRMR and IFS

PubMed Central

Li, Bi-Qing; Feng, Kai-Yan; Chen, Lei; Huang, Tao; Cai, Yu-Dong

2012-01-01

Prediction of protein-protein interaction (PPI) sites is one of the most challenging problems in computational biology. Although great progress has been made by employing various machine learning approaches with numerous characteristic features, the problem is still far from being solved. In this study, we developed a novel predictor based on Random Forest (RF) algorithm with the Minimum Redundancy Maximal Relevance (mRMR) method followed by incremental feature selection (IFS). We incorporated features of physicochemical/biochemical properties, sequence conservation, residual disorder, secondary structure and solvent accessibility. We also included five 3D structural features to predict protein-protein interaction sites and achieved an overall accuracy of 0.672997 and MCC of 0.347977. Feature analysis showed that 3D structural features such as Depth Index (DPX) and surface curvature (SC) contributed most to the prediction of protein-protein interaction sites. It was also shown via site-specific feature analysis that the features of individual residues from PPI sites contribute most to the determination of protein-protein interaction sites. It is anticipated that our prediction method will become a useful tool for identifying PPI sites, and that the feature analysis described in this paper will provide useful insights into the mechanisms of interaction. PMID:22937126

CaMELS: In silico prediction of calmodulin binding proteins and their binding sites.

PubMed

Abbasi, Wajid Arshad; Asif, Amina; Andleeb, Saiqa; Minhas, Fayyaz Ul Amir Afsar

2017-09-01

Due to Ca 2+ -dependent binding and the sequence diversity of Calmodulin (CaM) binding proteins, identifying CaM interactions and binding sites in the wet-lab is tedious and costly. Therefore, computational methods for this purpose are crucial to the design of such wet-lab experiments. We present an algorithm suite called CaMELS (CalModulin intEraction Learning System) for predicting proteins that interact with CaM as well as their binding sites using sequence information alone. CaMELS offers state of the art accuracy for both CaM interaction and binding site prediction and can aid biologists in studying CaM binding proteins. For CaM interaction prediction, CaMELS uses protein sequence features coupled with a large-margin classifier. CaMELS models the binding site prediction problem using multiple instance machine learning with a custom optimization algorithm which allows more effective learning over imprecisely annotated CaM-binding sites during training. CaMELS has been extensively benchmarked using a variety of data sets, mutagenic studies, proteome-wide Gene Ontology enrichment analyses and protein structures. Our experiments indicate that CaMELS outperforms simple motif-based search and other existing methods for interaction and binding site prediction. We have also found that the whole sequence of a protein, rather than just its binding site, is important for predicting its interaction with CaM. Using the machine learning model in CaMELS, we have identified important features of protein sequences for CaM interaction prediction as well as characteristic amino acid sub-sequences and their relative position for identifying CaM binding sites. Python code for training and evaluating CaMELS together with a webserver implementation is available at the URL: http://faculty.pieas.edu.pk/fayyaz/software.html#camels. © 2017 Wiley Periodicals, Inc.

In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE.

PubMed

Hoffer, Laurent; Renaud, Jean-Paul; Horvath, Dragos

2013-04-22

This paper describes the use and validation of S4MPLE in Fragment-Based Drug Design (FBDD)--a strategy to build drug-like ligands starting from small compounds called fragments. S4MPLE is a conformational sampling tool based on a hybrid genetic algorithm that is able to simulate one (conformer enumeration) or more molecules (docking). The goal of the current paper is to show that due to the judicious design of genetic operators, S4MPLE may be used without any specific adaptation as an in silico FBDD tool. Such fragment-to-lead evolution involves either growing of one or linking of several fragment-like binder(s). The native ability to specifically "dock" a substructure that is covalently anchored to its target (here, some prepositioned fragment formally part of the binding site) enables it to act like dedicated de novo builders and differentiates it from most classical docking tools, which may only cope with non-covalent interactions. Besides, S4MPLE may address growing/linking scenarios involving protein site flexibility, and it might also suggest "growth" moves by bridging the ligand to the site via water-mediated interactions if H2O molecules are simply appended to the input files. Therefore, the only development overhead required to build a virtual fragment→ligand growing/linking strategy based on S4MPLE were two chemoinformatics programs meant to provide a minimalistic management of the linker library. The first creates a duplicate-free library by fragmenting a compound database, whereas the second builds new compounds, attaching chemically compatible linkers to the starting fragments. S4MPLE is subsequently used to probe the optimal placement of the linkers within the binding site, with initial restraints on atoms from initial fragments, followed by an optimization of all kept poses after restraint removal. Ranking is mainly based on two criteria: force-field potential energy and RMSD shifts of the original fragment moieties. This strategy was applied to several examples from the FBDD literature with good results over several monitored criteria: ability to generate the optimized ligand (or close analogs), good ranking of analogs among decoy compounds, and accurate predictions of expected binding modes of reference ligands. Simulations included "classical" covalent growing/linking, more challenging ones involving binding site conformational changes, and growth with optional recognition of putatively favorable water-mediated interactions.

Fine-scale spatial distribution of the common lugworm Arenicola marina, and effects of intertidal clam fishing

NASA Astrophysics Data System (ADS)

Boldina, Inna; Beninger, Peter G.

2014-04-01

Despite its ubiquity and its role as an ecosystem engineer on temperate intertidal mudflats, little is known of the spatial ecology of the lugworm Arenicola marina. We estimated lugworm densities and analyzed the spatial distribution of A. marina on a French Atlantic mudflat subjected to long-term clam digging activities, and compared these to a nearby pristine reference mudflat, using a combination of geostatistical techniques: point-pattern analysis, autocorrelation, and wavelet analysis. Lugworm densities were an order of magnitude greater at the reference site. Although A. marina showed an aggregative spatial distribution at both sites, the characteristics and intensity of aggregation differed markedly between sites. The reference site showed an inhibition process (regular distribution) at distances <7.5 cm, whereas the impacted site showed a random distribution at this scale. At distances from 15 cm to several tens of meters, the spatial distribution of A. marina was clearly aggregated at both sites; however, the autocorrelation strength was much weaker at the impacted site. In addition, the non-impacted site presented multi-scale spatial distribution, which was not evident at the impacted site. The differences observed between the spatial distributions of the fishing-impacted vs. the non-impacted site reflect similar findings for other components of these two mudflat ecosystems, suggesting common community-level responses to prolonged mechanical perturbation: a decrease in naturally-occurring aggregation. This change may have consequences for basic biological characteristics such as reproduction, recruitment, growth, and feeding.

Online irrigation service for fruit und vegetable crops at farmers site

NASA Astrophysics Data System (ADS)

Janssen, W.

2009-09-01

Online irrigation service for fruit und vegetable crops at farmers site by W. Janssen, German Weather Service, 63067 Offenbach Agrowetter irrigation advice is a product which calculates the present soil moisture as well as the soil moisture to be expected over the next 5 days for over 30 different crops. It's based on a water balance model and provides targeted recommendations for irrigation. Irrigation inputs according to the soil in order to avoid infiltration and, as a consequence thereof, the undesired movement of nitrate and plant protectants into the groundwater. This interactive 'online system' takes into account the user's individual circumstances such as crop and soil characteristics and the precipitation and irrigation amounts at the user's site. Each user may calculate up to 16 different enquiries simultaneously (different crops or different emergence dates). The user can calculate the individual soil moistures for his fields with a maximum effort of 5 minutes per week only. The sources of water are precipitation and irrigation whereas water losses occur due to evapotranspiration and infiltration of water into the ground. The evapotranspiration is calculated by multiplying a reference evapotranspiration (maximum evapotranspiration over grass) with the so-called crop coefficients (kc values) that have been developed by the Geisenheim Research Centre, Vegetable Crops Branch. Kc values depending on the crop and the individual plant development stage. The reference evapotranspiration is calculated from a base weather station user has chosen (out of around 500 weather stations) using Penman method based on daily values. After chosen a crop and soil type the user must manually enter the precipitation data measured at the site, the irrigation water inputs and the dates for a few phenological stages. Economical aspects can be considered by changing the values of soil moisture from which recommendations for irrigation start from optimal to necessary plant supply. Previous comparative measurements carried out by the Agricultural Administration of Baden-Württemberg relating to potatoes, onions, vine stocks, and strawberries agreed very well with the calculations.

Insight into the Diversity of Penicillin-Binding Protein 2x Alleles and Mutations in Viridans Streptococci

PubMed Central

van der Linden, Mark; Otten, Julia; Bergmann, Carina; Latorre, Cristina; Liñares, Josefina

2017-01-01

ABSTRACT The identification of commensal streptococci species is an everlasting problem due to their ability to genetically transform. A new challenge in this respect is the recent description of Streptococcus pseudopneumoniae as a new species, which was distinguished from closely related pathogenic S. pneumoniae and commensal S. mitis by a variety of physiological and molecular biological tests. Forty-one atypical S. pneumoniae isolates have been collected at the German National Reference Center for Streptococci (GNRCS). Multilocus sequence typing (MLST) confirmed 35 isolates as the species S. pseudopneumoniae. A comparison with the pbp2x sequences from 120 commensal streptococci isolated from different continents revealed that pbp2x is distinct among penicillin-susceptible S. pseudopneumoniae isolates. Four penicillin-binding protein x (PBPx) alleles of penicillin-sensitive S. mitis account for most of the diverse sequence blocks in resistant S. pseudopneumoniae, S. pneumoniae, and S. mitis, and S. infantis and S. oralis sequences were found in S. pneumoniae from Japan. PBP2x genes of the family of mosaic genes related to pbp2x in the S. pneumoniae clone Spain23F-1 were observed in S. oralis and S. infantis as well, confirming its global distribution. Thirty-eight sites were altered within the PBP2x transpeptidase domains of penicillin-resistant strains, excluding another 37 sites present in the reference genes of sensitive strains. Specific mutational patterns were detected depending on the parental sequence blocks, in agreement with distinct mutational pathways during the development of beta-lactam resistance. The majority of the mutations clustered around the active site, whereas others are likely to affect stability or interactions with the C-terminal domain or partner proteins. PMID:28193649

Combined in situ effects of metals and nutrients on marine biofilms: Shifts in the diatom assemblage structure and biological traits.

PubMed

Belando, M D; Marín, A; Aboal, M; García-Fernández, A J; Marín-Guirao, L

2017-01-01

The effects of multiple stressors on marine diatom assemblages are still poorly understood. The interactive effects of metals and nutrients were assessed in two coastal biofilms grown at a reference site and a historically contaminated site. The biofilms were exposed in situ to pulse exposures of metals (Zn and Pb) and nutrients (N and P) individually and in combination to mimic patterns of discharge in the study area. The reference community's structure (composition and abundance of taxa) was modified after metals and/or nutrients exposure, but each stressor acted in different way. Irrespective of the stressors or scenario, the abundance of the dominant species Opephora krumbeinii declined, and it is proposed as sensitive species. Nutrient supply favoured the proliferation of certain species with high nutrient tolerances (Fragilaria famelica, Tabularia ktenoeides), whereas metals promoted the colonisation of metal-tolerant species, e.g., Berkeleya fennica, Opephora marina. Simultaneous exposure induced an amplification of levels of accumulated metals, chlorophyll a and EPS contents and triggered the succession of species towards tolerant species with specific growth. Metals seemed to act as a selective factor of metal-tolerant species, and nutrients favoured the proliferation of those species forming zig-zag colonies (Neosynedra provincialis), mucous tubes (Berkeleya spp.) and motile diatoms (Navicula salinicola, Nitzschia incognita), resulting in biofilms with a more complex architecture. The diatom communities from the historically contaminated site were more resistant to pulse exposure, but metals or nutrients loads induced overproduction of mucilage. We propose that growth forms may complement taxonomic approaches and provide a quick and easy way to detect community changes related to metal and nutrient pollution. Copyright © 2016 Elsevier B.V. All rights reserved.

The Emergent Properties of Conspecific Attraction Can Limit a Species' Ability to Track Environmental Change.

PubMed

Stodola, Kirk W; Ward, Michael P

2017-06-01

Multiple biotic, abiotic, and evolutionary constraints interact to determine a species' range. However, most species are not present in all suitable and accessible locations. Dispersal ability may explain why many species do not occupy all suitable habitat, but highly mobile species also exhibit a mismatch. Habitat selection behavior where individuals are site faithful and settle near conspecifics could create a social pressure that make a species' geographic range resistant to change. We investigated this possibility by using an individual-based model of habitat selection where habitat quality moved each year. Our model demonstrated the benefits of conspecific attraction in relatively stable environments and its detrimental influence when habitat quality shifted rapidly. These results were most apparent when adult survival was high, because site fidelity led to more individuals occupying poor-quality habitat areas as habitat quality changed. These individuals attracted other dispersing individuals, thereby decreasing the ability to track shifts in habitat quality, which we refer to as "social inertia." Consequently, social inertia may arise for species that exhibit site fidelity and conspecific attraction, which may have conservation implications in light of climate change and widespread alteration of natural habitats.

Assessing condition of macroinvertebrate communities and sediment toxicity in the St. Lawrence River at Massena Area-of-Concern

USGS Publications Warehouse

Duffy, Brian T.; Baldigo, Barry P.; Smith, Alexander J.; George, Scott D.; David, Anthony M.

2016-01-01

In 1972, the USA and Canada agreed to restore the chemical, physical, and biological integrity of the Great Lakes ecosystem under the first Great Lakes Water Quality Agreement. In subsequent amendments, part of the St. Lawrence River at Massena, New York and segments of three tributaries, were designated as an Area of Concern (AOC) due to the effects of polychlorinated biphenyls (PCBs), lead and copper contamination, and habitat degradation and resulting impairment to several beneficial uses. Because sediments have been largely remediated, the present study was initiated to evaluate the current status of the benthic macroinvertebrate (benthos) beneficial use impairment (BUI). Benthic macroinvertebrate communities and sediment toxicity tests using Chironomus dilutus were used to test the hypotheses that community condition and sediment toxicity at AOC sites were not significantly different from those of adjacent reference sites. Grain size was found to be the main driver of community composition and macroinvertebrate assemblages, and bioassessment metrics did not differ significantly between AOC and reference sites of the same sediment class. Median growth of C. dilutus and its survival in three of the four river systems did not differ significantly in sediments from AOC and reference sites. Comparable macroinvertebrate assemblages and general lack of toxicity across most AOC and reference sites suggest that the quality of sediments should not significantly impair benthic macroinvertebrate communities in most sites in the St. Lawrence River AOC.

Theory and Realization of Global Terrestrial Reference Systems

NASA Technical Reports Server (NTRS)

Ma, C.; Bolotin, S.; Gipson, J.; Gordon, D.; Le Bail, K.; MacMillan, D.

2010-01-01

Comparison of realizations of the terrestrial reference frame. IGN and DGFI both generated realizations of the terrestrial reference frame under the auspices of the IERS from combination of the same space geodetic data. We examined both results for VLBI sites using the full geodetic VLBI data set with respect to site positions and velocities and time series of station positions, baselines and Earth orientation parameters. One of the difficulties encountered was matching episodic breaks and periods of non-linear motion of the two realizations with the VLBI models. Our analysis and conclusions will be discussed.

Reference as an Interactive Achievement: Sequential and Longitudinal Analyses of Labeling Interactions in Shared Book Reading and Free Play.

PubMed

Heller, Vivien; Rohlfing, Katharina J

2017-01-01

The present study examines how young children and their caregivers establish reference by jointly developing stable patterns of bodily, perceptual, and interactive coordination. Our longitudinal investigation focuses on two mother-child dyads engaged in picture-book reading and play. The dyads were videotaped at home once every 6 weeks while the children aged from 9 to 24 months. Inspired by conversation analysis and multimodal analysis, our developmental approach builds on the insight that the situated and embodied production of reference is fundamentally an interactive achievement. To examine the acquisition of reference, we developed a descriptive instrument that takes account of not only the dyad's joint accomplishment but also each participant's contributions to it. The instrument is based on the sequential reconstruction of the jobs that both participants have to accomplish jointly in order to achieve reference: establishing visual perception as a relevant resource, constituting a domain of scrutiny, locating a target, and construing the (meaning of the) referent. Methodologically, these jobs serve as a tertium comparationis for the longitudinal comparison of both the adult's as well as the child's contributions to establishing reference. We used this instrument to examine (1) what bodily and verbal resources the participants employed, and (2) how their contributions to accomplishing the jobs changed over time. Findings showed that the acquisition of reference was closely related to the child's increasing ability to recognize, fulfill, and set up conditional relevancies. We conclude that the adult's dynamic and contextualized use of conditional relevancies, recipient design, and observability is a crucial driving force in the acquisition of reference.

Preliminary assessment of several parameters to measure and compare usefulness of the CEOS reference pseudo-invariant calibration sites

USGS Publications Warehouse

Chander, Gyanesh; Angal, Amit; Xiong, Xiaoxiong; Helder, Dennis L.; Mishra, Nischal; Choi, Taeyoung; Wu, Aisheng

2010-01-01

Test sites are central to any future quality assurance and quality control (QA/QC) strategy. The Committee on Earth Observation Satellites (CEOS) Working Group for Calibration and Validation (WGCV) Infrared Visible Optical Sensors (IVOS) worked with collaborators around the world to establish a core set of CEOS-endorsed, globally distributed, reference standard test sites (both instrumented and pseudo-invariant) for the post-launch calibration of space-based optical imaging sensors. The pseudo-invariant calibration sites (PICS) have high reflectance and are usually made up of sand dunes with low aerosol loading and practically no vegetation. The goal of this paper is to provide preliminary assessment of "several parameters" than can be used on an operational basis to compare and measure usefulness of reference sites all over the world. The data from Landsat 7 (L7) Enhanced Thematic Mapper Plus (ETM+) and the Earth Observing-1 (EO-1) Hyperion sensors over the CEOS PICS were used to perform a preliminary assessment of several parameters, such as usable area, data availability, top-of-atmosphere (TOA) reflectance, at-sensor brightness temperature, spatial uniformity, temporal stability, spectral stability, and typical spectrum observed over the sites.

Monitoring of airborne particulate matter at mountainous urban sites.

PubMed

Dai, Jun; Kim, Ki-Hyun; Dutta, Tanushree; Park, Wha Me; Hong, Jong-Ki; Jung, Kweon; Brown, Richard J C

2016-08-01

Concentrations of various size fractions (TSP, PM10, PM2.5, and PM1.0) of particulate matter (PM) were measured at two mountainous sites, Buk Han (BH) and Gwan AK (GA), along with one ground reference site at Gwang Jin (GJ), located in Seoul, South Korea for the 4 years from 2010 to 2013. The daily average concentrations of TSP, PM10, PM2.5, and PM1.0 at BH were 47.9 ± 32.5, 37.0 ± 24.6, 20.6 ± 12.9, and 15.3 ± 9.53 μg m(-3), respectively. These values were slightly larger than those measured at GA while much lower than those measured at the reference site (GJ). Seasonal variations in PM concentrations were consistent across all locations with a relative increase in concentrations observed in spring and winter. Correlation analysis showed clear differences in PM concentrations between the mountainous sites and the reference site. Analysis of these PM concentrations indicated that the distribution of PM in the mountainous locations was affected by a number of manmade sources from nearby locations, including both traffic and industrial emissions.

Essential Genes for In Vitro Growth of the Endophyte Herbaspirillum seropedicae SmR1 as Revealed by Transposon Insertion Site Sequencing

PubMed Central

Rosconi, Federico; de Vries, Stefan P. W.; Baig, Abiyad; Fabiano, Elena

2016-01-01

ABSTRACT The interior of plants contains microorganisms (referred to as endophytes) that are distinct from those present at the root surface or in the surrounding soil. Herbaspirillum seropedicae strain SmR1, belonging to the betaproteobacteria, is an endophyte that colonizes crops, including rice, maize, sugarcane, and sorghum. Different approaches have revealed genes and pathways regulated during the interactions of H. seropedicae with its plant hosts. However, functional genomic analysis of transposon (Tn) mutants has been hampered by the lack of genetic tools. Here we successfully employed a combination of in vivo high-density mariner Tn mutagenesis and targeted Tn insertion site sequencing (Tn-seq) in H. seropedicae SmR1. The analysis of multiple gene-saturating Tn libraries revealed that 395 genes are essential for the growth of H. seropedicae SmR1 in tryptone-yeast extract medium. A comparative analysis with the Database of Essential Genes (DEG) showed that 25 genes are uniquely essential in H. seropedicae SmR1. The Tn mutagenesis protocol developed and the gene-saturating Tn libraries generated will facilitate elucidation of the genetic mechanisms of the H. seropedicae endophytic lifestyle. IMPORTANCE A focal point in the study of endophytes is the development of effective biofertilizers that could help to reduce the input of agrochemicals in croplands. Besides the ability to promote plant growth, a good biofertilizer should be successful in colonizing its host and competing against the native microbiota. By using a systematic Tn-based gene-inactivation strategy and massively parallel sequencing of Tn insertion sites (Tn-seq), it is possible to study the fitness of thousands of Tn mutants in a single experiment. We have applied the combination of these techniques to the plant-growth-promoting endophyte Herbaspirillum seropedicae SmR1. The Tn mutant libraries generated will enable studies into the genetic mechanisms of H. seropedicae-plant interactions. The approach that we have taken is applicable to other plant-interacting bacteria. PMID:27590816

Iron L-edge X-ray Absorption Spectroscopy of Oxy-Picket Fence Porphyrin: Experimental Insight into Fe-O2 Bonding

PubMed Central

Wilson, Samuel A.; Kroll, Thomas; Decreau, Richard A.; Hocking, Rosalie K.; Lundberg, Marcus; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.

2013-01-01

The electronic structure of the Fe–O2 center in oxy-hemoglobin and oxy-myoglobin is a long-standing issue in the field of bioinorganic chemistry. Spectroscopic studies have been complicated by the highly delocalized nature of the porphyrin and calculations require interpretation of multi-determinant wavefunctions for a highly covalent metal site. Here, iron L-edge X-ray absorption spectroscopy (XAS), interpreted using a valence bond configuration interaction (VBCI) multiplet model, is applied to directly probe the electronic structure of the iron in the biomimetic Fe–O2 heme complex [Fe(pfp)(1-MeIm)O2] (pfp = meso-tetra(α,α,α,α-o-pivalamidophenyl) porphyrin or TpivPP). This method allows separate estimates of σ-donor, π-donor, and π-acceptor interactions through ligand to metal charge transfer (LMCT) and metal to ligand charge transfer (MLCT) mixing pathways. The L-edge spectrum of [Fe(pfp)(1-MeIm)O2] is further compared to those of [FeII(pfp)(1-MeIm)2], [FeII(pfp)], and [FeIII(tpp)(ImH)2]Cl (tpp = meso-tetraphenylporphyrin) which have FeII S = 0, FeII S = 1 and FeIII S = 1/2 ground states, respectively. These serve as references for the three possible contributions to the ground state of oxy-pfp. The Fe–O2 pfp site is experimentally determined to have both significant σ-donation and a strong π-interaction of the O2 with the iron, with the latter having implications with respect to the spin polarization of the ground state. PMID:23259487

Reproduction and environmental contamination in tree swallows nesting in the Fox River drainage and Green Bay, Wisconsin, USA

USGS Publications Warehouse

Custer, Christine M.; Custer, Thomas W.; Allen, P. David; Stromborg, Kenneth L.; Melancon, Mark J.

1998-01-01

Concentration, accumulation, and effects of polychlorinated biphenyls (PCBs) o nreproduction in tree swallows (Tachycineta bicolor) were studied at four sites in the Fox River drainage and in Green Bay, Lake Michigan, Wisconsin, USA, in 1994 and 1995. Total PCBs in eggs and newly hatched young (mean = 3.01 μg/g wet weight, years and sites combined) and 12-d-old nestlings (mean = 2.34 μg/g wet weight) at two contaminated sites (Kidney Island and Arrowhead) were higher than concentrations at two reference sites (Lake Poygan and High Cliff State Park, years and sites combined, pippers mean = 0.26 μg/g, nestlings mean = 0.01 μg/g). Concentrations of 11 PCB congeners were also higher at contaminated compared to reference sites. Polychlorinated biphenyls (PCBs) accumulated in nestlings at a higher rate (1.34–6.69 μg/d) at contaminated sites compared to reference locations (0.06–0.42 μg/d). Dichlorodiphenyldichloroethylene (DDE) was the only other organochlorine found in all samples; concentrations for all samples averaged ≤0.20 μg/g wet weight. Total PCBs and p,p′-DDE concentrations did not differ among clutches where all eggs hatched, some eggs hatched, and no eggs hatched.

Hepatic ethoxyresorufin-O-deethylase induction in the common kingfisher from an electronic waste recycling site.

PubMed

Wu, Jiang-Ping; Mo, Ling; Zhi, Hui; Peng, Ying; Tao, Lin; Ren, Zi-He; Luo, Xiao-Jun; Mai, Bi-Xian

2016-06-01

The health effects of exposure to electronic waste (e-waste)-derived pollutants are an important issue. The authors explored the association between the hepatic levels of e-waste-derived halogenated contaminants (including polychlorinated biphenyls [PCBs], polybrominated diphenyl ethers [PBDEs], and polybrominated biphenyls [PBBs]) and hepatic ethoxyresorufin-O-deethylase (EROD) activity of the common kingfisher (Alcedo atthis) from an e-waste site and 2 reference sites in South China. The summed concentrations of PCBs, PBDEs, and PBBs ranged from 620 ng/g to 15 000 ng/g, 25 ng/g to 900 ng/g, and 14 ng/g to 49 ng/g wet weight, respectively, in the kingfishers from the e-waste site, and these values were significantly greater (2-3 orders of magnitude) than those obtained at the 2 reference sites. Correspondingly, significant hepatic EROD induction was observed in the kingfishers from the e-waste site compared with the reference sites. The EROD activity was significantly correlated to the levels of most of the PCB and PBDE congeners examined as well as PBB 153, suggesting that EROD induction may be evoked by these e-waste-derived pollutants. Environ Toxicol Chem 2016;35:1594-1599. © 2015 SETAC. © 2015 SETAC.

Population genetic structure and tolerance to dioxin-like compounds of a migratory marine fish (Menidia menidia) at polychlorinated biphenyl-contaminated and reference sites.

PubMed

Roark, Shaun A; Kelble, Mary A; Nacci, Diane; Champlin, Denise; Coiro, Laura; Guttman, Sheldon I

2005-03-01

The present study was conducted to evaluate evidence of genetic adaptation to local contaminants in populations of the migratory marine fish Menidia menidia residing seasonally in reference sites or an industrial harbor contaminated with dioxin-like compounds (DLCs). For this purpose, we compared DLC sensitivity and genetic patterns of populations sampled from sites both inside and outside New Bedford Harbor (NBH; MA, USA), a U.S. Environmental Protection Agency Superfund site with extreme polychlorinated biphenyl (PCB) contamination. Offspring of M. menidia collected from NBH were significantly less sensitive regarding embryonic exposure to the dioxin-like PCB congener 3,3',4,4',5-pentachlorobiphenyl (PCB 126) than offspring of M. menidia from a reference site. Analysis of 10 polymorphic enzymatic loci indicated little genetic differentiation among populations in the study area. However, genotype frequencies of juveniles from both NBH and an adjacent site in Massachusetts exhibited significant deviations from Hardy-Weinberg equilibrium expectations at one locus, phosphoglucomutase (PGM*). Genetic analysis of survivors of embryonic laboratory exposure to PCB 126 indicated that genotypes at PGM* were related to survivorship. Although a relationship was identified between DLC tolerance and PGM* genotype, regional mixing of M. menidia populations during migration and absence of multigeneration exposure at contaminated sites may limit localized adaptation.

Reproduction, embryonic development, and maternal transfer of contaminants in the amphibian Gastrophryne carolinensis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hopkins, W.A.; DuRant, S.E.; Staub, B.P.

2006-05-15

Although many amphibian populations around the world are declining at alarming rates, the cause of most declines remains unknown. Environmental contamination is one of several factors implicated in declines and may have particularly important effects on sensitive developmental stages. We examined maternal transfer of contaminants in eastern narrow-mouth toads (Gastrophryne carolinensis) collected from a reference site and near a coal-burning power plant. Adult toads inhabiting the industrial area transferred significant quantities of selenium and strontium to their eggs, but Se concentrations were most notable (up to 100 {mu} g/g dry mass). Compared with the reference site, hatching success was reducedmore » by 11% in clutches from the contaminated site. In surviving larvae, the frequency of developmental abnormalities and abnormal swimming was 55-58% higher in the contaminated site relative to the reference site. Craniofacial abnormalities were nearly an order of magnitude more prevalent in hatchlings from the contaminated site. When all developmental criteria were considered collectively, offspring from the contaminated site experienced 19% lower viability. Although there was no statistical relationship between the concentration of Se or Sr transferred to eggs and any measure of offspring viability, our study demonstrates that maternal transfer may be an important route of contaminant exposure in amphibians that has been overlooked.« less

A regional survey of malformed frogs in Minnesota (USA) (Minnesota malformed frogs).

PubMed

Vandenlangenberg, Susan M; Canfield, Jeffrey T; Magner, Joseph A

2003-02-01

In late 1995, school children discovered malformed frogs in a south central Minnesota pond. Press coverage resulted in numerous citizen reports of frog malformation across Minnesota in 1996. After some initial site investigation, 3 affected frog sites and 4 nearby reference sites were selected for more detailed evaluation. Field biologists made 89 visits to study sites beginning spring 1997 through fall 1999 to examine the number and type of frog malformations. Over 5,100 Leopard frogs (Rana pipiens) were captured and examined at all study sites. Water elevations and associated littoral inundation were recorded from 1997-2000. Results indicate that malformation occurred at all study sites above historical background levels. Rana pipiens malformation across all sites over three seasons averaged 7.9% and ranged from 0 to 7% at reference sites and 4 to 23% at affected sites. At one northern Minnesota site, mink frog (Rana septentrionalis) malformation was 75% in 1998. A site characteristic common to the most affected sites was an elastic zone of littoral inundation. Climate driven hydrologic variation likely influenced water depth and associated breeding locations.

Distribution of physical properties and timing of relative uplift in upper plate off Costa Rica: IODP Expedition 344

NASA Astrophysics Data System (ADS)

Saiki, A.; Hashimoto, Y.

2015-12-01

Evolution of physical properties in subduction zone is a key to understand lithification processes, location of decollement, and stress distribution. In this study, we examined the physical properties of sediments using on-board data and laboratory experimental data on sediments obtained off Costa Rica margin. Target sites are in the Integrate Ocean Drilling Program (IODP) Expedition 344 off Costa Rica, including reference sites (U1381 and U1414), mid-slope site (U1378, U1380) and upper-slope site (U1413). Seven samples from reference sites were analyzed. Laboratory experiments for velocity and porosity measurements were conducted with variation of effective pressure. Velocity-porosity relationships from on-board data and from laboratory experiments are comparable. The porosity-effective pressure curves under isotropic condition were converted to the curves under uniaxial condition (Teeuw, 1971). Using the normal consolidation curves under uniaxial stress conditions, we converted onboard porosity to effective pressure and fluid pressure. In reference sites, hydrostatic fluid pressure was estimated as expected as a reference sites, suggesting that porosity-effective pressure relationship was obtained correctly by experiments and it can be adapted to estimation of fluid pressure for the wedge sites. The porosity-effective pressure relationship under isotropic conditions were used for the estimation in wedge sites. In wedge sites, estimated pore pressures show lower than hydrostatic pressure, suggesting that onboard porosity was lower than that under normal compaction. The lower porosity can be caused by relative uplift from deeper portion. The amount of relative uplift can be estimated by differences in porosity-depth relationships between onboard data and experimental data. The amount of relative uplift for each site shows more than ~1000m up to ~5000m. The small error in porosity depth curve from experimental data makes relative uplift larger or smaller exponentially in the deeper portion. The increment of relative uplift, however, starts from about 1Ma in each site, suggesting some events were occurred at the timing. Laboratory experiments under differential stress should be conducted in the near future because smaller porosity is expected under differential stress conditions.

Assessing condition of macroinvertebrate communities and bed sediment toxicity in the Rochester Embayment Area of Concern, New York, USA

USGS Publications Warehouse

Duffy, Brian; George, Scott D.; Baldigo, Barry P.; Smith, Alexander J.

2017-01-01

The United States and Canada agreed to restore the chemical, physical, and biological integrity of the Great Lakes ecosystem under the first Great Lakes Water Quality Agreement in 1972. The lowest reach of the Genesee River and the Rochester Embayment on Lake Ontario between Bogus Point and Nine Mile Point, including Braddock Bay, were designated as an Area of Concern (AOC) due to effects of contaminated sediments and physical disturbance on several beneficial uses. Following sediment remedial efforts and with conditions improving in the AOC, the present study was conducted to reevaluate the status of the benthic macroinvertebrate (benthos) beneficial use impairment (BUI). Benthic macroinvertebrate community assessments and 10-day Chironomus dilutus bioassays were used to test the hypotheses that sediments within the AOC were no more toxic than sediments from surrounding reference areas. The study was separated into three discrete systems (Genesee River, Lake Ontario, and Braddock Bay) and non-parametric analyses determined that a multimetric index of benthic macroinvertebrate community integrity was significantly higher at AOC sites compared to reference sites on the Genesee River and in Braddock Bay while AOC and reference sites on Lake Ontario did not differ significantly. Survival and growth of C. dilutus were also similar between AOC and reference sites for each system with the exception of significantly higher growth at reference sites on Lake Ontario. Results generally indicated that the condition of benthos and toxicity of sediment of the Rochester Embayment AOC are similar to or better than that in the surrounding area.

Water based on a molecular model behaves like a hard-sphere solvent for a nonpolar solute when the reference interaction site model and related theories are employed

NASA Astrophysics Data System (ADS)

Hayashi, Tomohiko; Oshima, Hiraku; Harano, Yuichi; Kinoshita, Masahiro

2016-09-01

For neutral hard-sphere solutes, we compare the reduced density profile of water around a solute g(r), solvation free energy μ, energy U, and entropy S under the isochoric condition predicted by the two theories: dielectrically consistent reference interaction site model (DRISM) and angle-dependent integral equation (ADIE) theories. A molecular model for water pertinent to each theory is adopted. The hypernetted-chain (HNC) closure is employed in the ADIE theory, and the HNC and Kovalenko-Hirata (K-H) closures are tested in the DRISM theory. We also calculate g(r), U, S, and μ of the same solute in a hard-sphere solvent whose molecular diameter and number density are set at those of water, in which case the radial-symmetric integral equation (RSIE) theory is employed. The dependences of μ, U, and S on the excluded volume and solvent-accessible surface area are analyzed using the morphometric approach (MA). The results from the ADIE theory are in by far better agreement with those from computer simulations available for g(r), U, and μ. For the DRISM theory, g(r) in the vicinity of the solute is quite high and becomes progressively higher as the solute diameter d U increases. By contrast, for the ADIE theory, it is much lower and becomes further lower as d U increases. Due to unphysically positive U and significantly larger |S|, μ from the DRISM theory becomes too high. It is interesting that μ, U, and S from the K-H closure are worse than those from the HNC closure. Overall, the results from the DRISM theory with a molecular model for water are quite similar to those from the RSIE theory with the hard-sphere solvent. Based on the results of the MA analysis, we comparatively discuss the different theoretical methods for cases where they are applied to studies on the solvation of a protein.

Computer Aided Reference Services in the Academic Library: Experiences in Organizing and Operating an Online Reference Service.

ERIC Educational Resources Information Center

Hoover, Ryan E.

1979-01-01

Summarizes the development of the Computer-Aided Reference Services (CARS) division of the University of Utah Libraries' reference department. Development, organizational structure, site selection, equipment, management, staffing and training considerations, promotion and marketing, budget and pricing, record keeping, statistics, and evaluation…

The effects of methylglyoxal-bis(guanylhydrazone) on spermine binding and transport in liver mitochondria.

PubMed

Toninello, A; Via, L D; Di Noto, V; Mancon, M

1999-12-15

This study evaluated the effect of the anticancer drug methylglyoxal-bis(guanylhydrazone) (MGBG) on the binding of the polyamine spermine to the mitochondrial membrane and its transport into the inner compartment of this organelle. Spermine binding was studied by applying a new thermodynamic treatment of ligand-receptor interactions (Di Noto et al., Macromol Theory Simul 5: 165-181, 1996). Results showed that MGBG inhibited the binding of spermine to the site competent for the first step in polyamine transport; the interaction of spermine with this site, termed S1, also mediates the inhibitory effect of the polyamine on the mitochondrial permeability transition (Dalla Via et al., Biochim Biophys Acta 1284: 247-252, 1996). In the presence of 1 mM MGBG, the binding capacity and affinity of this site were reduced by about 2.6-fold; on the contrary, the binding capacity of the S2 site, which is most likely responsible for the internalization of cytoplasmic proteins (see Dalla Via et al., reference cited above), increased by about 1.3-fold, and its binding affinity remained unaffected. MGBG also inhibited the initial rate of spermine transport in a dose-dependent manner by establishing apparently sigmoidal kinetics. Consequently, the total extent of spermine accumulation inside mitochondria was inhibited. This inhibition in transport seems to reflect a conformational change at the level of the channel protein constituting the polyamine transport system, rather than competitive inhibition at the inner active site of the channel, thereby excluding the possibility that the polyamine and drug use the same transport pathway. Furthermore, it is suggested that, in the presence of MGBG, the S2 site is able to participate in residual spermine transport. MGBG also strongly inhibits deltapH-dependent spermine efflux, resulting in a complete block in the bidirectional flux of the polyamine and its sequestration inside the matrix space. The effects of MGBG on spermine accumulation are consistent with in vivo disruption of the regulator of energy metabolism and replication of the mitochondrial genome.

A web server for analysis, comparison and prediction of protein ligand binding sites.

PubMed

Singh, Harinder; Srivastava, Hemant Kumar; Raghava, Gajendra P S

2016-03-25

One of the major challenges in the field of system biology is to understand the interaction between a wide range of proteins and ligands. In the past, methods have been developed for predicting binding sites in a protein for a limited number of ligands. In order to address this problem, we developed a web server named 'LPIcom' to facilitate users in understanding protein-ligand interaction. Analysis, comparison and prediction modules are available in the "LPIcom' server to predict protein-ligand interacting residues for 824 ligands. Each ligand must have at least 30 protein binding sites in PDB. Analysis module of the server can identify residues preferred in interaction and binding motif for a given ligand; for example residues glycine, lysine and arginine are preferred in ATP binding sites. Comparison module of the server allows comparing protein-binding sites of multiple ligands to understand the similarity between ligands based on their binding site. This module indicates that ATP, ADP and GTP ligands are in the same cluster and thus their binding sites or interacting residues exhibit a high level of similarity. Propensity-based prediction module has been developed for predicting ligand-interacting residues in a protein for more than 800 ligands. In addition, a number of web-based tools have been integrated to facilitate users in creating web logo and two-sample between ligand interacting and non-interacting residues. In summary, this manuscript presents a web-server for analysis of ligand interacting residue. This server is available for public use from URL http://crdd.osdd.net/raghava/lpicom .

Estimation of empirical site amplification factors in Taiwan

NASA Astrophysics Data System (ADS)

Chung, Chi-Hsuan; Wen, Kuo-Liang; Kuo, Chun-Hsiang

2017-04-01

Lots of infrastructures are under construction in metropolises in Taiwan in recent years and thus leads to increasement of population density and urbanization in those area. Taiwan island is located in plate boundaries in which the high seismicity is caused by active tectonic plates. The Chi-Chi earthquake (Mw 7.6) in 1999 caused a fatality of more than 2000, and the Meinong earthquake (Mw 6.5) in 2016 caused a fatality of 117 in Tainan city as well as damages on hundreds of buildings. The cases imply seismic vulnerability of urban area. During the improvements for seismic hazard analysis and seismic design, consideration of seismic site amplifications in different site conditions is one of important issues. This study used selected and processed strong motion records observed by the TSMIP network. The site conditions considered as Vs30 used in this study were investigated at most stations (Kuo et al. 2012; Kuo et al. 2016). Since strong motion records and site conditions are both available, we are able to use the data to analyze site amplifications of seismic waves at different periods. The result may be a reference for future modification of seismic design codes to decrease potential seismic hazards and losses. We adopted the strong motion and site database of the SSHAC (Senior Seismic Hazard Analysis Committee) Level 3 project in Taiwan. The selected significant crustal and subduction events of magnitude larger than six for analysis. The amplification factors of PGA, PGV, PGD, and spectra acceleration at 0.3, 1.0, and 3.0 seconds were evaluated using the processed strong motions. According to the recommendation of SSHAC Level 3 project, the site condition of Vs30 = 760 m/s is considered as the reference rock site in this study. The stations with Vs30 between 600 m/s and 900 m/s and used as the reference rock sites in reality. For each event, we find a reference rock site and other site within a certain distance (region dependent) to calculate site amplifications of ground motions. Relationships of site amplification factors and Vs30 are therefore derived for strong motions by regression analysis. Soil nonlinearity (decrease of amplifications) has to be considered at soft soil sites during a strong shaking. We also discuss amplification factors in terms of different intensities if data is available.

Expanding rural primary care training by employing information technologies: the need for participation by medical reference librarians.

PubMed

Coggan, J M; Crandall, L A

1995-01-01

The use of rural sites to train badly needed primary care providers requires access to sophisticated medical information not traditionally available outside of academic health centers. Medical reference librarians can play a key role in the development of primary care training sites in rural settings. Electronic information technologies, with proactive support from medical reference librarians, can provide current and detailed information without concern for distance from the health science center library. This paper discusses recent developments in technology, describes current challenges to the application of this technology in rural settings, and provides policy recommendations for medical reference librarians to enhance rural primary care training.

Refernce Conditions for Streams in the Grand Prairie Natural Division of Illinois

NASA Astrophysics Data System (ADS)

Sangunett, B.; Dewalt, R.

2005-05-01

As part of the Critical Trends Assessment Program (CTAP) of the Illinois Department of Natural Resources (IDNR), 12 potential reference quality stream sites in the Grand Prairie Natural Division were evaluated in May 2004. This agriculturally dominated region, located in east central Illinois, is the most highly modified in the state. The quality of these sites was assessed using a modified Hilsenhoff Biotic Index and species richness of Ephemeroptera, Plecoptera, and Trichoptera (EPT) insect orders and a 12 parameter Habitat Quality Index (HQI). Illinois EPA high quality fish stations, Illinois Natural History Survey insect collection data, and best professional knowledge were used to choose which streams to evaluate. For analysis, reference quality streams were compared to 37 randomly selected meandering streams and 26 randomly selected channelized streams which were assessed by CTAP between 1997 and 2001. The results showed that the reference streams exceeded both taxa richness and habitat quality of randomly selected streams in the region. Both random meandering sites and reference quality sites increased in taxa richness and HQI as stream width increased. Randomly selected channelized streams had about the same taxa richness and HQI regardless of width.

IgG-Fc-mediated effector functions: molecular definition of interaction sites for effector ligands and the role of glycosylation.

PubMed

Jefferis, R; Lund, J; Pound, J D

1998-06-01

The Fc region of human IgG expresses interaction sites for many effector ligands. In this review the topographical distributions of ten of these sites are discussed in relation to functional requirement. It is apparent that interaction sites localised to the inter-CH2-CH3 domain region of the Fc allow for functional divalency, whereas sites localised to the hinge proximal region of the CH2 domain are functionally monovalent, with expression of the latter sites being particularly dependent on glycosylation. All x-ray crystal structures for Fc and Fc-ligand complexes report that the protein structure of the hinge proximal region of the CH2 domain is "disordered", suggesting "internal mobility". We propose a model in which such "internal mobility" results in the generation of a dynamic equilibrium between multiple conformers, certain of which express interaction sites specific to individual ligands. The emerging understanding of the influence of oligosaccharide/protein interactions on protein conformation and biological function of IgG antibodies suggests a potential to generate novel glycoforms of antibody molecules having unique profiles of effector functions.

An evaluation of the effectiveness of existing North Carolina Department of Transportation wetland mitigation sites, phase 1 report

DOT National Transportation Integrated Search

2000-07-01

In this study, 49 North Carolina Department of Transportation (NCDOT) wetland compensatory mitigation sites and 11 reference sites were evaluated on-site in 1999. Seventeen of the larger sites consisted of more than one type of mitigation (restoratio...

Cell-autonomous defense, re-organization and trafficking of membranes in plant-microbe interactions.

PubMed

Dörmann, Peter; Kim, Hyeran; Ott, Thomas; Schulze-Lefert, Paul; Trujillo, Marco; Wewer, Vera; Hückelhoven, Ralph

2014-12-01

Plant cells dynamically change their architecture and molecular composition following encounters with beneficial or parasitic microbes, a process referred to as host cell reprogramming. Cell-autonomous defense reactions are typically polarized to the plant cell periphery underneath microbial contact sites, including de novo cell wall biosynthesis. Alternatively, host cell reprogramming converges in the biogenesis of membrane-enveloped compartments for accommodation of beneficial bacteria or invasive infection structures of filamentous microbes. Recent advances have revealed that, in response to microbial encounters, plasma membrane symmetry is broken, membrane tethering and SNARE complexes are recruited, lipid composition changes and plasma membrane-to-cytoskeleton signaling is activated, either for pre-invasive defense or for microbial entry. We provide a critical appraisal on recent studies with a focus on how plant cells re-structure membranes and the associated cytoskeleton in interactions with microbial pathogens, nitrogen-fixing rhizobia and mycorrhiza fungi. © 2014 The Authors. New Phytologist © 2014 New Phytologist Trust.

Small-Molecule Inhibitors of GSK-3: Structural Insights and Their Application to Alzheimer's Disease Models

PubMed Central

Kramer, Thomas; Schmidt, Boris; Lo Monte, Fabio

2012-01-01

The world health organization (WHO) estimated that 18 million people are struck by Alzheimer's disease (AD). The USA, France, Germany, and other countries launched major programmes targeting the identification of risk factors, the improvement of caretaking, and fundamental research aiming to postpone the onset of AD. The glycogen synthase kinase 3 (GSK-3) is implicated in multiple cellular processes and has been linked to the pathogenesis of several diseases including diabetes mellitus, cancer, and AD. Inhibition of GSK-3 leads to neuroprotective effects, decreased β-amyloid production, and a reduction in tau hyperphosphorylation, which are all associated with AD. Various classes of small molecule GSK-3 inhibitors have been published in patents and original publications. Herein, we present a comprehensive summary of small molecules reported to interact with GSK-3. We illustrate the interactions of the inhibitors with the active site. Furthermore, we refer to the biological characterisation in terms of activity and selectivity for GSK-3, elucidate in vivo studies and pre-/clinical trials. PMID:22888461

Democratizing LGBTQ History Online: Digitizing Public History in "U.S. Homophile Internationalism".

PubMed

de Szegheo Lang, Tamara

2017-01-01

This article argues that the online archive and exhibit "U.S. Homophile Internationalism" effectively contributes to the democratizing effects that digital archives and online initiatives are having on the practice of history. "U.S. Homophile Internationalism" is an online archive of over 800 digitized articles, letters, advertisements, and other materials from the U.S. homophile press that reference six non-U.S. regions of the world. It also provides visitors with introductory regional essays, annotated bibliographies, and an interactive map feature. This essay weaves "U.S. Homophile Internationalism" into the debates in community-run LGBTQ archives regarding the digitization of archival materials and the possibilities presented by digital public history. In doing so, it outlines the structure and content of "U.S. Homophile Internationalism," highlighting how it increases the public accessibility of primary sources, encourages historical research on regions of the world that have not been adequately represented in LGBTQ history writing, and creates interactive components to support public engagements with the Web site.

Exchange repulsive potential adaptable for electronic structure changes during chemical reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yokogawa, D., E-mail: d.yokogawa@chem.nagoya-u.ac.jp

2015-04-28

Hybrid methods combining quantum mechanical (QM) and classical calculations are becoming important tools in chemistry. The popular approach to calculate the interaction between QM and classical calculations employs interatomic potentials. In most cases, the interatomic potential is constructed of an electrostatic (ES) potential and a non-ES potential. Because QM treatment is employed in the calculation of the ES potential, the electronic change can be considered in this ES potential. However, QM treatment of the non-ES potential is difficult because of high computational cost. To overcome this difficulty of evaluating the non-ES potential, we proposed an exchange repulsive potential as themore » main part of the non-ES potential on the basis of a QM approach. This potential is independent of empirical parameters and adaptable for electronic structure. We combined this potential with the reference interaction site model self-consistent field explicitly including spatial electron density distribution and successfully applied it to the chemical reactions in aqueous phase.« less

Lymphatic transport and lymph node targeting of methotrexate-conjugated PEGylated dendrimers are enhanced by reducing the length of the drug linker or masking interactions with the injection site.

PubMed

Ryan, Gemma M; McLeod, Victoria M; Mehta, Dharmini; Kelly, Brian D; Stanislawski, Pauline C; Owen, David J; Kaminskas, Lisa M; Porter, Christopher J H

2017-11-01

Drug conjugation to dendrimer-based delivery systems has been shown to enhance delivery to the lymphatic system after subcutaneous administration. Dendrimer interaction with components of the interstitium at the injection site, however, may prevent drainage from the injection site. The current study sought to vary the length of a linker employed to conjugate methotrexate (MTX) to a PEGylated dendrimer, in an attempt to reduce MTX interaction with interstitial binding sites and enhance lymphatic drainage. Dendrimers with shorter linkers resulted in higher lymphatic drainage, presumably via shielding of interaction sites by the PEG mantle, but were not retained in lymph nodes. Improved drainage of dendrimers with longer linkers was achieved through coadministration with dextran to mask interactions at the injection site while maintaining retention within the node. Enhanced drug exposure to the lymph node has the potential to enhance the treatment of lymph-node resident cancer metastases. Copyright © 2017 Elsevier Inc. All rights reserved.

Antiferromagnetic interaction between A'-site Mn spins in A-site-ordered perovskite YMn3Al4O12.

PubMed

Tohyama, Takenori; Saito, Takashi; Mizumaki, Masaichiro; Agui, Akane; Shimakawa, Yuichi

2010-03-01

The A-site-ordered perovskite YMn(3)Al(4)O(12) was prepared by high-pressure synthesis. Structural analysis with synchrotron powder X-ray diffraction data and the Mn L-edges X-ray absorption spectrum revealed that the compound has a chemical composition Y(3+)Mn(3+)(3)Al(3+)(4)O(2-)(12) with magnetic Mn(3+) at the A' site and non-magnetic Al(3+) at the B site. An antiferromagnetic interaction between the A'-site Mn(3+) spins is induced by the nearest neighboring Mn-Mn direct exchange interaction and causes an antiferromagnetic transition at 34.3 K.

Community assembly in epiphytic lichens in early stages of colonization.

PubMed

Gjerde, Ivar; Blom, Hans H; Lindblom, Louise; Saetersdal, Magne; Schei, Fride Høstad

2012-04-01

Colonization studies may function as natural experiments and have the potential of addressing important questions about community assembly. We studied colonization for a guild of epiphytic lichens in a former treeless heathland area of 170 km2 in southwest Norway. We investigated if epiphytic lichen species richness and composition on aspen (Populus tremula) trees corresponded to a random draw of lichen individuals from the regional species pool. We compared lichen communities of isolated young (55-120 yr) and old (140-200 yr) forest patches in the heathland area to those of aspen forest in an adjacent reference area that has been forested for a long time. All thalli (lichen bodies) of 32 selected lichen species on trunks of aspen were recorded in 35 aspen sites. When data for each site category (young, old, and reference) were pooled, we found the species richness by rarefaction to be similar for reference sites and old sites, but significantly lower for young sites. The depauperated species richness of young sites was accompanied by a skew in species composition and absence of several species that were common in the reference sites. In contrast, genetic variation screened with neutral microsatellite markers in the lichen species Lobaria pulmonaria showed no significant differences between site categories. Our null hypothesis of a neutral species assembly in young sites corresponding to a random draw from the regional species pool was rejected, whereas an alternative hypothesis based on differences in colonization capacity among species was supported. The results indicate that for the habitat configuration in the heathland area (isolated patches constituting < 0.4% of the area) lichen communities may need a colonization time of 100-150 yr for species richness to level off, but given enough time, isolation will not affect species richness. We suggest that this contradiction to expectations from classical island equilibrium theory results from low extinction rates.

Uranium-Bearing Evaporite Mineralization Influencing Plume Persistence. Literature Review and DOE-LM Site Surveys

DOE Office of Scientific and Technical Information (OSTI.GOV)

None, None

This report on evaporite mineralization was completed as an Ancillary Work Plan for the Applied Studies and Technology program under the U.S. Department of Energy (DOE) Office of Legacy Management (LM). This study reviews all LM sites under Title I and Title II of the Uranium Mill Tailings Radiation Control Act (UMTRCA) and one Decontamination and Decommissioning site to provide (1) a summary of which sites have evaporite deposits, (2) any available quantitative geochemical and mineralogical analyses, and (3) references to relevant reports. In this study, “evaporite” refers to any secondary mineral precipitate that occurs due to a loss ofmore » water through evaporative processes. This includes efflorescent salt crusts, where this term refers to a migration of dissolved constituents to the surface with a resulting salt crust, where “salt” can refer to any secondary precipitate, regardless of constituents. The potential for the formation of evaporites at LM sites has been identified, and may have relevance to plume persistence issues. Evaporite deposits have the potential to concentrate and store contaminants at LM sites that could later be re-released. These deposits can also provide a temporary storage mechanism for carbonate, chloride, and sulfate salts along with uranium and other contaminants of concern (COCs). Identification of sites with evaporites will be used in a new technical task plan (TTP), Persistent Secondary Contaminant Sources (PeSCS), for any proposed additional sampling and analyses. This additional study is currently under development and will focus on determining if the dissolution of evaporites has the potential to hinder natural flushing strategies and impact plume persistence. This report provides an initial literature review on evaporites followed by details for each site with identified evaporites. The final summary includes a table listing of all relevant LM sites regardless of evaporite identification.« less

Influence of metal exposure history on the bioaccumulation and subcellular distribution of aqueous cadmium in the insect Hydropsyche californica

USGS Publications Warehouse

Cain, D.J.; Buchwalter, D.B.; Luoma, S.N.

2006-01-01

The influence of metal exposure history on rates of aqueous Cd accumulation, elimination, and subcellular distribution was examined in the aquatic insect Hydropsyche californica. Specimens were obtained from a reference site and a metal-contaminated site and returned to the laboratory where they were continuously exposed to aqueous Cd (518 ng/L, nominal) for 6 d, followed by 9 d of depuration. Rates of Cd accumulation and elimination were similar in insects from the two sites. Efflux rate constants, ke, ranged from 0.20 to 0.24/d (t1/2 ??? 3 d). Immediately following exposure, the cytosol accounted for 40% of the body burden in insects from both sites; however, 89 ?? 2% of the cytosolic Cd was associated with metallothionein-like proteins (MTLP) in insects from the contaminated site, compared to 60 ?? 0% in insects from the reference site. The concentration of Cd bound to non-MTLPs (representing potentially Cd-sensitive proteins) was significantly greater in the insects from the reference site (134 ?? 7 ng/g) than in those from the contaminated site (42 ?? 2 ng/g). At the end of the depuration period, 90% of the accumulated Cd body burden had been eliminated, and Cd concentrations in MTLPs and non-MTLPs were similar between the sites. Results suggested that differences in exposure history had no influence on the bioaccumulation of Cd, but did affect the concentrations of Cd bound to MTLP during Cd exposure in these insects. ?? 2006 SETAC.

Performance Evaluation and Community Application of Low-Cost Sensors for Ozone and Nitrogen Dioxide.

PubMed

Duvall, Rachelle M; Long, Russell W; Beaver, Melinda R; Kronmiller, Keith G; Wheeler, Michael L; Szykman, James J

2016-10-13

This study reports on the performance of electrochemical-based low-cost sensors and their use in a community application. CairClip sensors were collocated with federal reference and equivalent methods and operated in a network of sites by citizen scientists (community members) in Houston, Texas and Denver, Colorado, under the umbrella of the NASA-led DISCOVER-AQ Earth Venture Mission. Measurements were focused on ozone (O₃) and nitrogen dioxide (NO₂). The performance evaluation showed that the CairClip O₃/NO₂ sensor provided a consistent measurement response to that of reference monitors (r² = 0.79 in Houston; r² = 0.72 in Denver) whereas the CairClip NO₂ sensor measurements showed no agreement to reference measurements. The CairClip O₃/NO₂ sensor data from the citizen science sites compared favorably to measurements at nearby reference monitoring sites. This study provides important information on data quality from low-cost sensor technologies and is one of few studies that reports sensor data collected directly by citizen scientists.

Social Networking Sites as Communication, Interaction, and Learning Environments: Perceptions and Preferences of Distance Education Students

ERIC Educational Resources Information Center

Bozkurt, Aras; Karadeniz, Abdulkadir; Kocdar, Serpil

2017-01-01

The advent of Web 2.0 technologies transformed online networks into interactive spaces in which user-generated content has become the core material. With the possibilities that emerged from Web 2.0, social networking sites became very popular. The capability of social networking sites promises opportunities for communication and interaction,…

78 FR 71676 - Submission for Review: 3206-0201, Federal Employees Health Benefits (FEHB) Open Season Express...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-29

... (FEHB) Open Season Express Interactive Voice Response (IVR) System and Open Season Web site AGENCY: U.S... Benefits (FEHB) Open Season Express Interactive Voice Response (IVR) System and the Open Season Web site... Season Express Interactive Voice Response (IVR) System, and the Open Season Web site, Open Season Online...

A content analysis of displayed alcohol references on a social networking web site.

PubMed

Moreno, Megan A; Briner, Leslie R; Williams, Amanda; Brockman, Libby; Walker, Leslie; Christakis, Dimitri A

2010-08-01

Exposure to alcohol use in media is associated with adolescent alcohol use. Adolescents frequently display alcohol references on Internet media, such as social networking web sites. The purpose of this study was to conduct a theoretically based content analysis of older adolescents' displayed alcohol references on a social networking web site. We evaluated 400 randomly selected public MySpace profiles of self-reported 17- to 20-year-olds from zip codes, representing urban, suburban, and rural communities in one Washington county. Content was evaluated for alcohol references, suggesting: (1) explicit versus figurative alcohol use, (2) alcohol-related motivations, associations, and consequences, including references that met CRAFFT problem drinking criteria. We compared profiles from four target zip codes for prevalence and frequency of alcohol display. Of 400 profiles, 225 (56.3%) contained 341 references to alcohol. Profile owners who displayed alcohol references were mostly male (54.2%) and white (70.7%). The most frequent reference category was explicit use (49.3%); the most commonly displayed alcohol use motivation was peer pressure (4.7%). Few references met CRAFFT problem drinking criteria (3.2%). There were no differences in prevalence or frequency of alcohol display among the four sociodemographic communities. Despite alcohol use being illegal and potentially stigmatizing in this population, explicit alcohol use is frequently referenced on adolescents' MySpace profiles across several sociodemographic communities. Motivations, associations, and consequences regarding alcohol use referenced on MySpace appear consistent with previous studies of adolescent alcohol use. These references may be a potent source of influence on adolescents, particularly given that they are created and displayed by peers. (c) 2010 Society for Adolescent Health and Medicine. Published by Elsevier Inc. All rights reserved.

Impact of calcium and TOC on biological acidification assessment in Norwegian rivers.

PubMed

Schneider, Susanne C

2011-02-15

Acidification continues to be a major impact in freshwaters of northern Europe, and the biotic response to chemical recovery from acidification is often not a straightforward process. The focus on biological recovery is relevant within the context of the EU Water Framework Directive, where a biological monitoring system is needed that detects differences in fauna and flora compared to undisturbed reference conditions. In order to verify true reference sites for biological analyses, expected river pH is modeled based on Ca and TOC, and 94% of variability in pH at reference sites is explained by Ca alone, while 98% is explained by a combination of Ca and TOC. Based on 59 samples from 28 reference sites, compared to 547 samples from 285 non-reference sites, the impact of calcium and total organic carbon (TOC) on benthic algae species composition, expressed as acidification index periphyton (AIP), is analyzed. Rivers with a high Ca concentration have a naturally higher AIP, and TOC affects reference AIP only at low Ca concentrations. Four biological river types are needed for assessment of river acidification in Norway based on benthic algae: very calcium-poor, humic rivers (Ca<1 mg/l and TOC>2 mg/l); very calcium-poor, clear rivers (Ca<1 mg/l and TOC<2 mg/l); calcium-poor rivers (Ca between 1 and 4 mg/l); moderately calcium rich rivers (Ca>4 mg/l). A biological assessment system for river acidification in Norway based on benthic algae is presented, following the demands of the Water Framework Directive. Copyright © 2010 Elsevier B.V. All rights reserved.

Definition of osteoporosis by bone density criteria in men: effect of using female instead of male young reference data depends on skeletal site and densitometer manufacturer.

PubMed

Schousboe, John T; Tanner, S Bobo; Leslie, William D

2014-01-01

Whether to use young male or young female reference data to calculate bone mineral density (BMD) T-scores in men remains controversial. The third National Health and Nutrition Examination and Survey (NHANES III) data show that the mean and standard deviation of femoral neck and total hip BMD is greater in young men than young women, and therefore differences in T-scores at these sites using NHANES III female vs male norms becomes less as BMD decreases. In contrast, manufacturer-specific reference databases generally assume similar standard deviations of BMD in men and women. Using NHANES III reference data for the femoral neck and total hip, respectively we found that men with T-scores of -2.5 when young male norms are used have T-scores of -2.4 and -2.3 when young female norms are used. Using manufacturer-specific reference data, we found that men with T-scores of -2.5 when young male norms are used at the femoral neck, total hip, lumbar spine, or one-third of the forearm would have T-scores ranging from -2.4 to -0.4 when young female norms are used, depending on skeletal site and densitometer manufacturer. The change of proportions of men diagnosed with osteoporosis when young female norms are used instead of young male reference data differs substantially according to skeletal site and densitometer manufacturer. Copyright © 2014 The International Society for Clinical Densitometry. Published by Elsevier Inc. All rights reserved.

A Large-Scale, Multiagency Approach to Defining a Reference Network for Pacific Northwest Streams

NASA Astrophysics Data System (ADS)

Miller, Stephanie; Eldred, Peter; Muldoon, Ariel; Anlauf-Dunn, Kara; Stein, Charlie; Hubler, Shannon; Merrick, Lesley; Haxton, Nick; Larson, Chad; Rehn, Andrew; Ode, Peter; Vander Laan, Jake

2016-12-01

Aquatic monitoring programs vary widely in objectives and design. However, each program faces the unifying challenge of assessing conditions and quantifying reasonable expectations for measured indicators. A common approach for setting resource expectations is to define reference conditions that represent areas of least human disturbance or most natural state of a resource characterized by the range of natural variability across a region of interest. Identification of reference sites often relies heavily on professional judgment, resulting in varying and unrepeatable methods. Standardized methods for data collection, site characterization, and reference site selection facilitate greater cooperation among assessment programs and development of assessment tools that are readily shareable and comparable. We illustrate an example that can serve the broader global monitoring community on how to create a consistent and transparent reference network for multiple stream resource agencies. We provide a case study that offers a simple example of how reference sites can be used, at the landscape level, to link upslope management practices to a specific in-channel response. We found management practices, particularly areas with high road densities, have more fine sediments than areas with fewer roads. While this example uses data from only one of the partner agencies, if data were collected in a similar manner they can be combined and create a larger, more robust dataset. We hope that this starts a dialog regarding more standardized ways through inter-agency collaborations to evaluate data. Creating more consistency in physical and biological field protocols will increase the ability to share data.

New paradigms in chemokine receptor signal transduction: Moving beyond the two-site model.

PubMed

Kleist, Andrew B; Getschman, Anthony E; Ziarek, Joshua J; Nevins, Amanda M; Gauthier, Pierre-Arnaud; Chevigné, Andy; Szpakowska, Martyna; Volkman, Brian F

2016-08-15

Chemokine receptor (CKR) signaling forms the basis of essential immune cellular functions, and dysregulated CKR signaling underpins numerous disease processes of the immune system and beyond. CKRs, which belong to the seven transmembrane domain receptor (7TMR) superfamily, initiate signaling upon binding of endogenous, secreted chemokine ligands. Chemokine-CKR interactions are traditionally described by a two-step/two-site mechanism, in which the CKR N-terminus recognizes the chemokine globular core (i.e. site 1 interaction), followed by activation when the unstructured chemokine N-terminus is inserted into the receptor TM bundle (i.e. site 2 interaction). Several recent studies challenge the structural independence of sites 1 and 2 by demonstrating physical and allosteric links between these supposedly separate sites. Others contest the functional independence of these sites, identifying nuanced roles for site 1 and other interactions in CKR activation. These developments emerge within a rapidly changing landscape in which CKR signaling is influenced by receptor PTMs, chemokine and CKR dimerization, and endogenous non-chemokine ligands. Simultaneous advances in the structural and functional characterization of 7TMR biased signaling have altered how we understand promiscuous chemokine-CKR interactions. In this review, we explore new paradigms in CKR signal transduction by considering studies that depict a more intricate architecture governing the consequences of chemokine-CKR interactions. Published by Elsevier Inc.

Interactive NCORP Map Details Community Research Sites | Division of Cancer Prevention

Cancer.gov

An interactive map of the NCI Community Oncology Research Program (NCORP) with detailed information on hundreds of community sites that take part in clinical trials is available on the NCORP website. NCORP Map NCORP Community Sites, Minority/Underserved Community Sites, and Research Bases |

Instructionism and Constructivism: Reconciling Two Very Good Ideas

ERIC Educational Resources Information Center

Johnson, Genevieve Marie

2009-01-01

Instructionism refers to educational practices that are teacher-focused, skill-based, product-oriented, non-interactive, and highly prescribed. Constructivism refers to educational practices that are student-focused, meaning-based, process-oriented, interactive, and responsive to student interest. There is disagreement regarding which curricular…

A 20-residue peptide of the inner membrane protein OutC mediates interaction with two distinct sites of the outer membrane secretin OutD and is essential for the functional type II secretion system in Erwinia chrysanthemi.

PubMed

Login, Frédéric H; Fries, Markus; Wang, Xiaohui; Pickersgill, Richard W; Shevchik, Vladimir E

2010-05-01

The type II secretion system (T2SS) is widely exploited by proteobacteria to secrete enzymes and toxins involved in bacterial survival and pathogenesis. The outer membrane pore formed by the secretin OutD and the inner membrane protein OutC are two key components of the secretion complex, involved in secretion specificity. Here, we show that the periplasmic regions of OutC and OutD interact directly and map the interaction site of OutC to a 20-residue peptide named OutCsip (secretin interacting peptide, residues 139-158). This peptide interacts in vitro with two distinct sites of the periplasmic region of OutD, one located on the N0 subdomain and another overlapping the N2-N3' subdomains. The two interaction sites of OutD have different modes of binding to OutCsip. A single substitution, V143S, located within OutCsip prevents its interaction with one of the two binding sites of OutD and fully inactivates the T2SS. We show that the N0 subdomain of OutD interacts also with a second binding site within OutC located in the region proximal to the transmembrane segment. We suggest that successive interactions between these distinct regions of OutC and OutD may have functional importance in switching the secretion machine.

Radiative transfer in shrub savanna sites in Niger: Preliminary results from HAPEX-Sahel. Part 1: Modelling surface reflectance using a geometric-optical approach

NASA Technical Reports Server (NTRS)

Franklin, Janet; Duncan, Jeff; Huete, Alfredo R.; vanLeeuwen, W. J. D.; Li, Xiaowen; Begue, Agnes

1994-01-01

To use optical remote sensing to monitor land surface-climate interactions over large areas, algorithms must be developed to relate multispectral measurements to key variables controlling the exchange of matter (water, carbon dioxide) and energy between the land surface and the atmosphere. The proportion of the ground covered by vegetation and the interception of photosynthetically active radiation (PAR) by vegetation are examples of two variables related to evapotranspiration and primary production, respectively. An areal-proportion model of the multispectral reflectance of shrub savanna, composed of scattered shrubs with a grass, forb or soil understory, predicted the reflectance of two 0.5 km(exp 2) sites as the area-weighted average of the shrub and understory or 'background' reflectances. Although the shaded crown and shaded background have darker reflectances, ignoring them in the area-weighted model is not serious when shrub cover is low and solar zenith angle is small. A submodel predicted the reflectance of the shrub crown as a function of the foliage reflectance and amount of plant material within the crown, and the background reflectance scattered or transmitted through canopy gaps (referred to as a soil-plant 'spectral interaction' term). One may be able to combine these two models to estimate both the fraction of vegetation cover and interception of PAR by green vegetation in a shrub savanna.

Hydrophobic binding peptide-conjugated hybrid lipid-mesoporous silica nanoparticles for effective chemo-photothermal therapy of pancreatic cancer.

PubMed

Thapa, Raj Kumar; Nguyen, Hanh Thuy; Gautam, Milan; Shrestha, Aarajana; Lee, Eung Seok; Ku, Sae Kwang; Choi, Han-Gon; Yong, Chul Soon; Kim, Jong Oh

2017-11-01

Nanoparticle-based drug delivery systems are designed to reach tumor sites based on their enhanced permeation and retention effects. However, a lack of interaction of these nanoparticles with cancer cells might lead to reduced uptake in the tumors, which might compromise the therapeutic efficacy of the system. Therefore, we developed bortezomib and IR-820-loaded hybrid-lipid mesoporous silica nanoparticles conjugated with the hydrophobic-binding peptide, cyclosporine A (CsA), and referred to them as CLMSN/BIR. Upon reaching the tumor site, CsA interacts hydrophobically with the cancer cell membranes to allow effective uptake of the nanoparticles. Nanoparticles ∼160 nm in size were prepared and the stability of IR-820 significantly improved. High cellular uptake of the nanoparticles was evident with pronounced apoptotic effects in PANC-1 and MIA PaCa-2 cells that were mediated by the chemotherapeutic effect of bortezomib and the photothermal and reactive oxygen species generation effects of IR-820. An in vivo biodistribution study indicated there was high accumulation in the tumor with an enhanced photothermal effect in PANC-1 xenograft mouse tumors. Furthermore, enhanced antitumor effects in PANC-1 xenograft tumors were observed with minimal toxicity induction in the organs of mice. Cumulatively, these results indicated the promising effects of CLMSN/BIR for effective chemo-phototherapy of pancreatic cancers.

Organochlorine contaminants and Tree Swallows along the Fox River and Green Bay, Wisconsin, USA

USGS Publications Warehouse

Custer, Christine M.; Custer, T.W.; Allen, P. David; Stromborg, K.L.; Melancon, M.J.; Adams, N.J.; Slotow, R.H.

1999-01-01

Green Bay, Wisconsin is contaminated with polychlorinated biphenyls (PCBs) however, whether these contaminants affect reproduction in insectivorous birds is unknown. Tree Swallows, Tachycineta bicolor, are secondary cavity nesters that will nest in boxes and tolerate handling. Because Tree Swallows are aquatic insectivores, residues in their tissues are primarily indicative of contaminants in sediments. We studied swallows at two contaminated and two reference colonies in 1993, 1994, and 1995 in the Green Bay area. Swallows at the two contaminated sites had significantly higher PCB levels in eggs when compared to two reference sites. Eggs from clutches that contained dead embryos had higher PCB concentrations than eggs from clutches where all eggs hatched; there were no contaminant effects overall on reproduction, however. Twelve-day-old nestlings at the two contaminated sites accumulated significantly more PCBs than did nestlings at the reference sites demonstrating that PCB contamination came from the local area. The PCB congener profile in 12-day-old nestlings mirrored the congener profile in their food.

Accounting for regional variation in both natural environment and human disturbance to improve performance of multimetric indices of lotic benthic diatoms.

PubMed

Tang, Tao; Stevenson, R Jan; Infante, Dana M

2016-10-15

Regional variation in both natural environment and human disturbance can influence performance of ecological assessments. In this study we calculated 5 types of benthic diatom multimetric indices (MMIs) with 3 different approaches to account for variation in ecological assessments. We used: site groups defined by ecoregions or diatom typologies; the same or different sets of metrics among site groups; and unmodeled or modeled MMIs, where models accounted for natural variation in metrics within site groups by calculating an expected reference condition for each metric and each site. We used data from the USEPA's National Rivers and Streams Assessment to calculate the MMIs and evaluate changes in MMI performance. MMI performance was evaluated with indices of precision, bias, responsiveness, sensitivity and relevancy which were respectively measured as MMI variation among reference sites, effects of natural variables on MMIs, difference between MMIs at reference and highly disturbed sites, percent of highly disturbed sites properly classified, and relation of MMIs to human disturbance and stressors. All 5 types of MMIs showed considerable discrimination ability. Using different metrics among ecoregions sometimes reduced precision, but it consistently increased responsiveness, sensitivity, and relevancy. Site specific metric modeling reduced bias and increased responsiveness. Combined use of different metrics among site groups and site specific modeling significantly improved MMI performance irrespective of site grouping approach. Compared to ecoregion site classification, grouping sites based on diatom typologies improved precision, but did not improve overall performance of MMIs if we accounted for natural variation in metrics with site specific models. We conclude that using different metrics among ecoregions and site specific metric modeling improve MMI performance, particularly when used together. Applications of these MMI approaches in ecological assessments introduced a tradeoff with assessment consistency when metrics differed across site groups, but they justified the convenient and consistent use of ecoregions. Copyright © 2016 Elsevier B.V. All rights reserved.

A Sediment Testing Reference Area Database for the San Francisco Deep Ocean Disposal Site (SF-DODS)

EPA Pesticide Factsheets

EPA established and maintains a SF-DODS reference area database of previously-collected sediment test data. Several sets of sediment test data have been successfully collected from the SF-DODS reference area.

Primer for Using RE-Powering Data to Screen Sites for Renewable Energy Potential

EPA Pesticide Factsheets

This reference guide provides users with tips for using the RE-Powering Screening Dataset spreadsheet, which contains detailed site information on over 60,000 contaminated lands, landfills, and mine sites.

Reference as an Interactive Achievement: Sequential and Longitudinal Analyses of Labeling Interactions in Shared Book Reading and Free Play

PubMed Central

Heller, Vivien; Rohlfing, Katharina J.

2017-01-01

The present study examines how young children and their caregivers establish reference by jointly developing stable patterns of bodily, perceptual, and interactive coordination. Our longitudinal investigation focuses on two mother–child dyads engaged in picture-book reading and play. The dyads were videotaped at home once every 6 weeks while the children aged from 9 to 24 months. Inspired by conversation analysis and multimodal analysis, our developmental approach builds on the insight that the situated and embodied production of reference is fundamentally an interactive achievement. To examine the acquisition of reference, we developed a descriptive instrument that takes account of not only the dyad's joint accomplishment but also each participant's contributions to it. The instrument is based on the sequential reconstruction of the jobs that both participants have to accomplish jointly in order to achieve reference: establishing visual perception as a relevant resource, constituting a domain of scrutiny, locating a target, and construing the (meaning of the) referent. Methodologically, these jobs serve as a tertium comparationis for the longitudinal comparison of both the adult's as well as the child's contributions to establishing reference. We used this instrument to examine (1) what bodily and verbal resources the participants employed, and (2) how their contributions to accomplishing the jobs changed over time. Findings showed that the acquisition of reference was closely related to the child's increasing ability to recognize, fulfill, and set up conditional relevancies. We conclude that the adult's dynamic and contextualized use of conditional relevancies, recipient design, and observability is a crucial driving force in the acquisition of reference. PMID:28261122

Halogen bond: a long overlooked interaction.

PubMed

Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo

2015-01-01

Because of their high electronegativity, halogen atoms are typically considered, in most of their derivatives, as sites of high electron density and it is commonly accepted that they can form attractive interactions by functioning as the electron donor site (nucleophilic site). This is the case when they work as hydrogen bond acceptor sites. However, the electron density in covalently bound halogens is anisotropically distributed. There is a region of higher electron density, accounting for the ability of halogens to function as electron donor sites in attractive interactions, and a region of lower electron density where the electrostatic potential is frequently positive (mainly in the heavier halogens). This latter region is responsible for the ability of halogen atoms to function as the electron-acceptor site (electrophilic site) in attractive interactions formed with a variety of lone pair-possessing atoms, anions, and π-systems. This ability is quite general and is shown by a wide diversity of halogenated compounds (e.g., organohalogen derivatives and dihalogens). According to the definition proposed by the International Union of Pure and Applied Chemistry, any attractive interactions wherein the halogen atom is the electrophile is named halogen bond (XB). In this chapter, it is discussed how the practice and the concept of XB developed and a brief history of the interaction is presented. Papers (either from the primary or secondary literature) which have reported major experimental findings in the field or which have given important theoretical contributions for the development of the concept are recollected in order to trace how a unifying and comprehensive categorization emerged encompassing all interactions wherein halogen atoms function as the electrophilic site.

Dissecting Orthosteric Contacts for a Reverse-Fragment-Based Ligand Design.

PubMed

Chandramohan, Arun; Tulsian, Nikhil K; Anand, Ganesh S

2017-08-01

Orthosteric sites on proteins are formed typically from noncontiguous interacting sites in three-dimensional space where the composite binding interaction of a biological ligand is mediated by multiple synergistic interactions of its constituent functional groups. Through these multiple interactions, ligands stabilize both the ligand binding site and the local secondary structure. However, relative energetic contributions of the individual contacts in these protein-ligand interactions are difficult to resolve. Deconvolution of the contributions of these various functional groups in natural inhibitors/ligand would greatly aid in iterative fragment-based drug discovery (FBDD). In this study, we describe an approach of progressive unfolding of a target protein using a gradient of denaturant urea to reveal the individual energetic contributions of various ligand-functional groups to the affinity of the entire ligand. Through calibrated unfolding of two protein-ligand systems: cAMP-bound regulatory subunit of Protein Kinase A (RIα) and IBMX-bound phosphodiesterase8 (PDE8), monitored by amide hydrogen-deuterium exchange mass spectrometry, we show progressive disruption of individual orthosteric contacts in the ligand binding sites, allowing us to rank the energetic contributions of these individual interactions. In the two cAMP-binding sites of RIα, exocyclic phosphate oxygens of cAMP were identified to mediate stronger interactions than ribose 2'-OH in both the RIα-cAMP binding interfaces. Further, we have also ranked the relative contributions of the different functional groups of IBMX based on their interactions with the orthosteric residues of PDE8. This strategy for deconstruction of individual binding sites and identification of the strongest functional group interaction in enzyme orthosteric sites offers a rational starting point for FBDD.

PolySac3DB: an annotated data base of 3 dimensional structures of polysaccharides.

PubMed

Sarkar, Anita; Pérez, Serge

2012-11-14

Polysaccharides are ubiquitously present in the living world. Their structural versatility makes them important and interesting components in numerous biological and technological processes ranging from structural stabilization to a variety of immunologically important molecular recognition events. The knowledge of polysaccharide three-dimensional (3D) structure is important in studying carbohydrate-mediated host-pathogen interactions, interactions with other bio-macromolecules, drug design and vaccine development as well as material science applications or production of bio-ethanol. PolySac3DB is an annotated database that contains the 3D structural information of 157 polysaccharide entries that have been collected from an extensive screening of scientific literature. They have been systematically organized using standard names in the field of carbohydrate research into 18 categories representing polysaccharide families. Structure-related information includes the saccharides making up the repeat unit(s) and their glycosidic linkages, the expanded 3D representation of the repeat unit, unit cell dimensions and space group, helix type, diffraction diagram(s) (when applicable), experimental and/or simulation methods used for structure description, link to the abstract of the publication, reference and the atomic coordinate files for visualization and download. The database is accompanied by a user-friendly graphical user interface (GUI). It features interactive displays of polysaccharide structures and customized search options for beginners and experts, respectively. The site also serves as an information portal for polysaccharide structure determination techniques. The web-interface also references external links where other carbohydrate-related resources are available. PolySac3DB is established to maintain information on the detailed 3D structures of polysaccharides. All the data and features are available via the web-interface utilizing the search engine and can be accessed at http://polysac3db.cermav.cnrs.fr.

Hematologic and serum biochemical reference intervals for free-ranging common bottlenose dolphins (Tursiops truncatus) and variation in the distributions of clinicopathologic values related to geographic sampling site.

PubMed

Schwacke, Lori H; Hall, Ailsa J; Townsend, Forrest I; Wells, Randall S; Hansen, Larry J; Hohn, Aleta A; Bossart, Gregory D; Fair, Patricia A; Rowles, Teresa K

2009-08-01

To develop robust reference intervals for hematologic and serum biochemical variables by use of data derived from free-ranging bottlenose dolphins (Tursiops truncatus) and examine potential variation in distributions of clinicopathologic values related to sampling sites' geographic locations. 255 free-ranging bottlenose dolphins. Data from samples collected during multiple bottlenose dolphin capture-release projects conducted at 4 southeastern US coastal locations in 2000 through 2006 were combined to determine reference intervals for 52 clinicopathologic variables. A nonparametric bootstrap approach was applied to estimate 95th percentiles and associated 90% confidence intervals; the need for partitioning by length and sex classes was determined by testing for differences in estimated thresholds with a bootstrap method. When appropriate, quantile regression was used to determine continuous functions for 95th percentiles dependent on length. The proportion of out-of-range samples for all clinicopathologic measurements was examined for each geographic site, and multivariate ANOVA was applied to further explore variation in leukocyte subgroups. A need for partitioning by length and sex classes was indicated for many clinicopathologic variables. For each geographic site, few significant deviations from expected number of out-of-range samples were detected. Although mean leukocyte counts did not vary among sites, differences in the mean counts for leukocyte subgroups were identified. Although differences in the centrality of distributions for some variables were detected, the 95th percentiles estimated from the pooled data were robust and applicable across geographic sites. The derived reference intervals provide critical information for conducting bottlenose dolphin population health studies.

Structure and effective interactions of comb polymer nanocomposite melts.

PubMed

Xu, Qinzhi; Xu, Mengjin; Feng, Yancong; Chen, Lan

2014-11-28

In this work, the structure and effective interactions of branched comb polymer nanocomposite (PNC) melts are investigated by using the polymer reference interaction site model (PRISM) integral equation theory. It is observed that the nanoparticle contact (bridging) aggregation is formed when the nanoparticle-monomer attraction strength is relatively weak (large) in comb PNCs. The organization states of aggregation for the moderate nanoparticle-monomer attraction strength can be well suppressed by the comb polymer architecture, while the bridging structure for relatively large attraction is obviously promoted. With the increase of the particle volume fraction, the organization states of bridging-type structure become stronger and tighter; however, this effect is weaker than that of the nanoparticle-monomer attraction strength. When the particle volume fraction and moderate nanoparticle-monomer attraction strength are fixed, the effects of degree of polymerization, side chain number, side chain length, and nanoparticle-monomer size ratio on the organization states of PNC melts are not prominent and the nanoparticles can well disperse in comb polymer. All the observations indicate that the present PRISM theory can give a detailed description of the comb PNC melts and assist in future design control of new nanomaterials.

Structure and Thermodynamics of Polyolefin Melts

NASA Astrophysics Data System (ADS)

Weinhold, J. D.; Curro, J. G.; Habenschuss, A.; Londono, J. D.

1997-03-01

Subtle differences in the intermolecular packing of various polyolefins can create dissimilar permeability and mixing behavior. We have used a combination of the Polymer Reference Interaction Site Model (PRISM) and Monte Carlo simulation to study the structural and thermodynamic properties of realistic models for polyolefins. Results for polyisobutylene and syndiotactic polypropylene will be presented along with comparisons to wide-angle x-ray scattering experiments and properties determined from previous studies of polyethylene and isotactic polypropylene. Our technique uses a Monte Carlo simulation on an isolated molecule to determine the polymer's intramolecular structure. With this information, PRISM theory can predict the intermolecular packing for any liquid density and/or mixture composition in a computationally efficient manner. This approach will then be used to explore the mixing behavior of these polyolefins.

A new method for finding the minimum free energy pathway of ions and small molecule transportation through protein based on 3D-RISM theory and the string method

NASA Astrophysics Data System (ADS)

Yoshida, Norio

2018-05-01

A new method for finding the minimum free energy pathway (MFEP) of ions and small molecule transportation through a protein based on the three-dimensional reference interaction site model (3D-RISM) theory combined with the string method has been proposed. The 3D-RISM theory produces the distribution function, or the potential of mean force (PMF), for transporting substances around the given protein structures. By applying the string method to the PMF surface, one can readily determine the MFEP on the PMF surface. The method has been applied to consider the Na+ conduction pathway of channelrhodopsin as an example.

Milestones for Selection, Characterization, and Analysis of the Performance of a Repository for Spent Nuclear Fuel and High-Level Radioactive Waste at Yucca Mountain.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rechard, Robert P.

This report presents a concise history in tabular form of events leading up to site identification in 1978, site selection in 1987, subsequent characterization, and ongoing analysis through 2009 of the performance of a repository for spent nuclear fuel and high - level radioactive waste at Yucca Mountain in southern Nevada. The tabulated events generally occurred in five periods: (1) commitment to mined geologic disposal and identification of sites; (2) site selection and analysis, based on regional geologic characterization through literature and analogous data; (3) feasibility analysis demonstrating calculation procedures and importance of system components, based on rough measures ofmore » performance using surface exploration, waste process knowledge, and general laboratory experiments; (4) suitability analysis demonstrating viability of disposal system, based on environment - specific laboratory experiments, in - situ experiments, and underground disposal system characterization; and (5) compliance analysis, based on completed site - specific characterization . The current sixth period beyond 2010 represents a new effort to set waste management policy in the United States. Because the relationship is important to understanding the evolution of the Yucca Mountain Project , the tabulation also shows the interaction between the policy realm and technical realm using four broad categories of events : (a) Regulatory requirements and related federal policy in laws and court decisions, (c) Presidential and agency directives, (c) technical milestones of implementing institutions, and (d) critiques of the Yucca Mountain Project and pertinent national and world events related to nuclear energy and radioactive waste. Preface The historical progression of technical milestones for the Yucca Mountain Project was originally developed for 10 journal articles in a special issue of Reliability Engineering System Safety on the performance assessment for the Yucca Mountain license application [1-10]. The listing of mile stones, a distinct feature of those articles, has been collected and tabulated here. A lthough a brief description is presented here (based on the summaries in the 10 journal articles), the emphasis remains on the tabulation because of its usefulness in providing a comprehensive but concise history of the Yucca Mountain Project. The tabulation presented here is more elaborate than originally presented in that many of the interactions that occurred between the technical realm and policy realm can be depicted in separate columns. The usefulness of the milestones table is due in part to L.A. Connolly, for editorial and reference support, and S.K. Best, Raytheon, and L. Mays, Sandia National Laboratories (SNL), for illustration support. Reviewers P.N. Swift, SNL, and K. Gupta, University of Oklahoma, helped improve the discussion. The historical perspective presented is that of the author and is not necessarily held by reviewers, Sandia National Laboratories , and the US Department of Energy. As a historic perspective, the author is reporting on the work of others; however, any interpretative error s of the documentation are those of the author alone. The characterization and modeling of the Yucca Mountain disposal system required numerous participants with expertise in many areas of science and technology, as evident from the extensive reference list. Their diligent efforts are generally acknowledged here and through the many references to their impressive work, but the 10 journal articles acknowledge by name many of the numerous participants that contributed to the Yucca Mountain Project .« less

Effect of reference genome selection on the performance of computational methods for genome-wide protein-protein interaction prediction.

PubMed

Muley, Vijaykumar Yogesh; Ranjan, Akash

2012-01-01

Recent progress in computational methods for predicting physical and functional protein-protein interactions has provided new insights into the complexity of biological processes. Most of these methods assume that functionally interacting proteins are likely to have a shared evolutionary history. This history can be traced out for the protein pairs of a query genome by correlating different evolutionary aspects of their homologs in multiple genomes known as the reference genomes. These methods include phylogenetic profiling, gene neighborhood and co-occurrence of the orthologous protein coding genes in the same cluster or operon. These are collectively known as genomic context methods. On the other hand a method called mirrortree is based on the similarity of phylogenetic trees between two interacting proteins. Comprehensive performance analyses of these methods have been frequently reported in literature. However, very few studies provide insight into the effect of reference genome selection on detection of meaningful protein interactions. We analyzed the performance of four methods and their variants to understand the effect of reference genome selection on prediction efficacy. We used six sets of reference genomes, sampled in accordance with phylogenetic diversity and relationship between organisms from 565 bacteria. We used Escherichia coli as a model organism and the gold standard datasets of interacting proteins reported in DIP, EcoCyc and KEGG databases to compare the performance of the prediction methods. Higher performance for predicting protein-protein interactions was achievable even with 100-150 bacterial genomes out of 565 genomes. Inclusion of archaeal genomes in the reference genome set improves performance. We find that in order to obtain a good performance, it is better to sample few genomes of related genera of prokaryotes from the large number of available genomes. Moreover, such a sampling allows for selecting 50-100 genomes for comparable accuracy of predictions when computational resources are limited.

PCB-induced changes of a benthic community and expected ecosystem recovery following in situ sorbent amendment

USGS Publications Warehouse

Janssen, Elisabeth M.-L.; Thompson, Janet K.; Luoma, Samuel N.; Luthy, Richard G.

2011-01-01

The benthic community was analyzed to evaluate pollution-induced changes for the polychlorinated biphenyl (PCB)-contaminated site at Hunters Point (HP) relative to 30 reference sites in San Francisco Bay, California, USA. An analysis based on functional traits of feeding, reproduction, and position in the sediment shows that HP is depauperate in deposit feeders, subsurface carnivores, and species with no protective barrier. Sediment chemistry analysis shows that PCBs are the major risk drivers at HP (1,570 ppb) and that the reference sites contain very low levels of PCB contamination (9 ppb). Different feeding traits support the existence of direct pathways of exposure, which can be mechanistically linked to PCB bioaccumulation by biodynamic modeling. The model shows that the deposit feeder Neanthes arenaceodentata accumulates approximately 20 times more PCBs in its lipids than the facultative deposit feeder Macoma balthica and up to 130 times more than the filter feeder Mytilus edulis. The comparison of different exposure scenarios suggests that PCB tissue concentrations at HP are two orders of magnitude higher than at the reference sites. At full scale, in situ sorbent amendment with activated carbon may reduce PCB bioaccumulation at HP by up to 85 to 90% under favorable field and treatment conditions. The modeling framework further demonstrates that such expected remedial success corresponds to exposure conditions suggested as the cleanup goal for HP. However, concentrations remain slightly higher than at the reference sites. The present study demonstrates how the remedial success of a sorbent amendment, which lowers the PCB availability, can be compared to reference conditions and traditional cleanup goals, which are commonly based on bulk sediment concentrations.

Electrostatic steering and ionic tethering in enzyme-ligand binding: insights from simulations.

PubMed

Wade, R C; Gabdoulline, R R; Lüdemann, S K; Lounnas, V

1998-05-26

To bind at an enzyme's active site, a ligand must diffuse or be transported to the enzyme's surface, and, if the binding site is buried, the ligand must diffuse through the protein to reach it. Although the driving force for ligand binding is often ascribed to the hydrophobic effect, electrostatic interactions also influence the binding process of both charged and nonpolar ligands. First, electrostatic steering of charged substrates into enzyme active sites is discussed. This is of particular relevance for diffusion-influenced enzymes. By comparing the results of Brownian dynamics simulations and electrostatic potential similarity analysis for triose-phosphate isomerases, superoxide dismutases, and beta-lactamases from different species, we identify the conserved features responsible for the electrostatic substrate-steering fields. The conserved potentials are localized at the active sites and are the primary determinants of the bimolecular association rates. Then we focus on a more subtle effect, which we will refer to as "ionic tethering." We explore, by means of molecular and Brownian dynamics simulations and electrostatic continuum calculations, how salt links can act as tethers between structural elements of an enzyme that undergo conformational change upon substrate binding, and thereby regulate or modulate substrate binding. This is illustrated for the lipase and cytochrome P450 enzymes. Ionic tethering can provide a control mechanism for substrate binding that is sensitive to the electrostatic properties of the enzyme's surroundings even when the substrate is nonpolar.

Implementation green and low cost on landscape design of Manggarai Integrated Station, Jakarta

NASA Astrophysics Data System (ADS)

Suryanti, T.; Meilianti, H.

2018-01-01

The Manggarai Integrated Station is the transit of various transportation modes. The Integrated Station located in Manggarai Jakarta and managed by PT. KAI. The Manggarai station is integrated and have terminal nature of transit areas (switching mode of transportation). There are several problems in the site, such as the problem of the site conditions in the urban area, topography, soil, vegetation, space, visual, users on the site can provide ideas for the concepts. The data was analyzed using the quantitative descriptive methode. The purpose of this research is to design the integrated station atmosphere, not only can support of the activities station users, but can also accommodate the needs of the community. It will “Green, Low cost” at the Manggarai integrated transport transit station in Jakarta. The potential that exists in this area is the lowliest integrated from various areas of the mode of transportation that make the users to facilitate transit transportation to the other. The basic concept of this design refers to the “Green, Low Cost” which unite with theme “user friendly” land use on a more efficient and effective site. The result of this research is landscape design development of Manggarai integrated station. Its consists of landscape design in west and east area, transition area, parking area, solar panel area, and social interaction area.

Modelling guidelines--terminology and guiding principles

NASA Astrophysics Data System (ADS)

Refsgaard, Jens Christian; Henriksen, Hans Jørgen

2004-01-01

Some scientists argue, with reference to Popper's scientific philosophical school, that models cannot be verified or validated. Other scientists and many practitioners nevertheless use these terms, but with very different meanings. As a result of an increasing number of examples of model malpractice and mistrust to the credibility of models, several modelling guidelines are being elaborated in recent years with the aim of improving the quality of modelling studies. This gap between the views and the lack of consensus experienced in the scientific community and the strongly perceived need for commonly agreed modelling guidelines is constraining the optimal use and benefits of models. This paper proposes a framework for quality assurance guidelines, including a consistent terminology and a foundation for a methodology bridging the gap between scientific philosophy and pragmatic modelling. A distinction is made between the conceptual model, the model code and the site-specific model. A conceptual model is subject to confirmation or falsification like scientific theories. A model code may be verified within given ranges of applicability and ranges of accuracy, but it can never be universally verified. Similarly, a model may be validated, but only with reference to site-specific applications and to pre-specified performance (accuracy) criteria. Thus, a model's validity will always be limited in terms of space, time, boundary conditions and types of application. This implies a continuous interaction between manager and modeller in order to establish suitable accuracy criteria and predictions associated with uncertainty analysis.

Localized effects of coal mine drainage on fish assemblages in a Cumberland Plateau stream in Tennessee

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schorr, M.S.; Backer, J.C.

2006-03-15

The upper watershed of North Chickamauga Creek (NCC), a fourth-order tributary to the Tennessee River, Tennessee, has been impacted by decades of acid mine drainage (AMD) from abandoned coal mines. We assessed fish assemblages, pH, conductivity, and sediment coverage at 12 study reaches (six AMD sites and six reference sites) in the Cumberland Plateau region of the NCC system, May-September 1998. Stream pH increased (3.6 to 6.0) and conductivity decreased (296 to 49 {mu}S/cm) downstream of the AMD-impacted area; however, no discernable gradient was observed in sediment cover. Elevated conductivity at AMD-impacted sites reflected increased concentrations of dissolved metals andmore » other inorganic ions. Reference sites exhibited higher pH (6.0-6.4) and lower conductivity (13-28 {mu}S/cm). Acidified reaches were characterized by low fish species richness and abundance; no fish were observed at sites where the mean pH was {lt} 5. Centrarchids (mostly bluegill (Lepomis macrochirus) and green sunfish (L. cyanellus)) comprised {gt} 90 % of the catch at AMD sites, whereas cypriniids (creek chub (Semotilus atromaculatus) and blacknose dace (Rhinichthys atratulus)) accounted for {gt} 90 % of the catch at reference sites. Findings from this study document the negative effects of acid drainage from coal mines on fish assemblages in a Cumberland Plateau stream.« less

Macroinvertebrate biomonitoring in intermittent coastal plain streams impacted by animal agriculture.

PubMed

Davis, Stephanie; Golladay, Stephen W; Vellidis, George; Pringle, Catherine M

2003-01-01

Little attention has been given to the ecology of intermittent coastal plain streams in the southeastern United States, and it is not known whether available macroinvertebrate biomonitoring methods reliably detect degradation in these streams. This study compared differences in biomonitoring metrics between reference and agricultural streams, and between the flow period (January-April) and the intermittent flow period (May-December). Percentages of crustaceans, isopods, and Ephemeroptera-Plecoptera-Trichoptera (EPT) were significantly higher at the reference site than the two most impacted sites during the flow period, probably resulting from the abundance of leaf litter and lower temperatures. During this same period, the agriculturally impacted sites had a significantly higher percentage of dipterans--a group that thrives in the silty, nutrient-rich waters. Four metrics (percent Crustacea, Isopoda, Diptera, and EPT) had no overlap between values for the most impacted and the least impacted sites during the flow period, but no metrics were able to detect more discrete differences among sites. Sites were physically and biologically similar during the intermittent period when natural stresses (i.e., stagnant water, high temperatures, low dissolved oxygen) were high, with many metrics, such as percentages of dominant family, burrowers, chironomids, and dipterans becoming similar at all sites. Our findings indicate that development of a better understanding of invertebrate fauna in reference conditions and of the natural variation in intermittent streams is necessary to develop effective biomonitoring programs for these systems.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bevelhimer, Mark S.; Adams, Marshall; Fortner, Allison M.

The effect of coal ash exposure on fish health in freshwater communities is largely unknown. Given the large number of possible pathways of effects (e.g., toxicological effect of exposure to multiple metals, physical effects from ash exposure, and food web effects), measurement of only a few health metrics is not likely to give a complete picture. The authors measured a suite of 20 health metrics from 1100+ fish collected from 5 sites (3 affected and 2 reference) near a coal ash spill in east Tennessee over a 4.5-yr period. The metrics represented a wide range of physiological and energetic responsesmore » and were evaluated simultaneously using 2 multivariate techniques. Results from both hierarchical clustering and canonical discriminant analyses suggested that for most speciesXseason combinations, the suite of fish health indicators varied more among years than between spill and reference sites within a year. In a few cases, spill sites from early years in the investigation stood alone or clustered together separate from reference sites and later year spill sites. Outlier groups of fish with relatively unique health profiles were most often from spill sites, suggesting that some response to the ash exposure may have occurred. Results from the 2 multivariate methods suggest that any change in the health status of fish at the spill sites was small and appears to have diminished since the first 2 to 3 yr after the spill.« less

Reef Sharks Exhibit Site-Fidelity and Higher Relative Abundance in Marine Reserves on the Mesoamerican Barrier Reef

PubMed Central

Bond, Mark E.; Babcock, Elizabeth A.; Pikitch, Ellen K.; Abercrombie, Debra L.; Lamb, Norlan F.; Chapman, Demian D.

2012-01-01

Carcharhinid sharks can make up a large fraction of the top predators inhabiting tropical marine ecosystems and have declined in many regions due to intense fishing pressure. There is some support for the hypothesis that carcharhinid species that complete their life-cycle within coral reef ecosystems, hereafter referred to as “reef sharks”, are more abundant inside no-take marine reserves due to a reduction in fishing pressure (i.e., they benefit from marine reserves). Key predictions of this hypothesis are that (a) individual reef sharks exhibit high site-fidelity to these protected areas and (b) their relative abundance will generally be higher in these areas compared to fished reefs. To test this hypothesis for the first time in Caribbean coral reef ecosystems we combined acoustic monitoring and baited remote underwater video (BRUV) surveys to measure reef shark site-fidelity and relative abundance, respectively. We focused on the Caribbean reef shark (Carcharhinus perezi), the most common reef shark in the Western Atlantic, at Glover's Reef Marine Reserve (GRMR), Belize. Acoustically tagged sharks (N = 34) were detected throughout the year at this location and exhibited strong site-fidelity. Shark presence or absence on 200 BRUVs deployed at GRMR and three other sites (another reserve site and two fished reefs) showed that the factor “marine reserve” had a significant positive effect on reef shark presence. We rejected environmental factors or site-environment interactions as predominant drivers of this pattern. These results are consistent with the hypothesis that marine reserves can benefit reef shark populations and we suggest new hypotheses to determine the underlying mechanism(s) involved: reduced fishing mortality or enhanced prey availability. PMID:22412965

Bioaccumulation of polychlorinated biphenyls in ranid frogs and northern water snakes from a hazardous waste site and a contaminated watershed.

PubMed

Fontenot, L W; Noble, G P; Akins, J M; Stephens, M D; Cobb, G P

2000-04-01

Livers of bullfrogs (Rana catesbeiana) from a polychlorinated biphenyl (PCB) contaminated watershed and hazardous waste site located in Pickens County, South Carolina, contained significantly higher concentrations of PCBs (2.33 and 2.26 ppm, respectively) than those from a reference site (0.05 ppm). Green frogs (R. clamitans) from the two contaminated sites also accumulated higher levels of PCBs (2.37 and 3.88 ppm, respectively) than those from the reference site (0.02 ppm). No temporal variation was observed in PCB concentrations of bullfrogs or green frogs from the contaminated sites between 1992 and 1993. Levels of PCBs in the livers of northern water snakes (Nerodia sipedon) were significantly higher in snakes from the contaminated watershed (13.70 ppm) than in those from the waste site (2.29 ppm) and two reference sites (2.50 and 1.23 ppm). When compared to frogs, significantly higher bioaccumulation occurred in water snakes from the contaminated watershed. No significant differences in PCB levels were found with respect to sex or body size (snout-vent length (SVL) or body mass) for frogs or snakes. PCBs were detected also in eggs of both frogs and snakes. Results of this study provide baseline data and document the bioaccumulation of PCB residues in frog and snake tissues; however, the significance of these tissue residues to reproduction, survival, growth/development, and population dynamics in contaminated habitats is unknown.

Divergence of actual and reference evapotranspiration observations for irrigated sugarcane with windy tropical conditions

NASA Astrophysics Data System (ADS)

Anderson, R. G.; Wang, D.; Tirado-Corbalá, R.; Zhang, H.; Ayars, J. E.

2015-01-01

Standardized reference evapotranspiration (ET) and ecosystem-specific vegetation coefficients are frequently used to estimate actual ET. However, equations for calculating reference ET have not been well validated in tropical environments. We measured ET (ETEC) using eddy covariance (EC) towers at two irrigated sugarcane fields on the leeward (dry) side of Maui, Hawaii, USA in contrasting climates. We calculated reference ET at the fields using the short (ET0) and tall (ETr) vegetation versions of the American Society for Civil Engineers (ASCE) equation. The ASCE equations were compared to the Priestley-Taylor ET (ETPT) and ETEC. Reference ET from the ASCE approaches exceeded ETEC during the mid-period (when vegetation coefficients suggest ETEC should exceed reference ET). At the windier tower site, cumulative ETr exceeded ETEC by 854 mm over the course of the mid-period (267 days). At the less windy site, mid-period ETr still exceeded ETEC, but the difference was smaller (443 mm). At both sites, ETPT approximated mid-period ETEC more closely than the ASCE equations ((ETPT-ETEC) < 170 mm). Analysis of applied water and precipitation, soil moisture, leaf stomatal resistance, and canopy cover suggest that the lower observed ETEC was not the result of water stress or reduced vegetation cover. Use of a custom-calibrated bulk canopy resistance improved the reference ET estimate and reduced seasonal ET discrepancy relative to ETPT and ETEC in the less windy field and had mixed performance in the windier field. These divergences suggest that modifications to reference ET equations may be warranted in some tropical regions.

Divergence of reference evapotranspiration observations with windy tropical conditions

NASA Astrophysics Data System (ADS)

Anderson, R. G.; Wang, D.; Tirado-Corbalá, R.; Zhang, H.; Ayars, J. E.

2014-06-01

Standardized reference evapotranspiration (ET) and ecosystem-specific vegetation coefficients are frequently used to estimate actual ET. However, equations for calculating reference ET have not been well validated in tropical environments. We measured ET (ETEC) using Eddy Covariance (EC) towers at two irrigated sugarcane fields on the leeward (dry) side of Maui, Hawaii, USA in contrasting climates. We calculated reference ET at the fields using the short (ET0) and tall (ETr) vegetation versions of the American Society for Civil Engineers (ASCE) equation. The ASCE equations were compared to the Priestley-Taylor ET (ETPT) and ETEC. Reference ET from the ASCE approaches exceeded ETEC during the mid-period (when vegetation coefficients suggest ETEC should exceed reference ET). At the windier tower site, cumulative ETr exceeded ETEC by 854 mm over the course of the mid-period (267 days). At the less windy site, mid-period ETr still exceeded ETEC, but the difference was smaller (443 mm). At both sites, ETPT approximated mid-period ETEC more closely than the ASCE equations ((ETPT-ETEC) < 170 mm). Analysis of applied water and precipitation, soil moisture, leaf stomatal resistance, and canopy cover suggest that the lower observed ETEC was not the result of water stress or reduced vegetation cover. Use of a custom calibrated bulk canopy resistance improved the reference ET estimate and reduced seasonal ET discrepancy relative to ETPT and ETEC for the less windy field and had mixed performance at the windier field. These divergences suggest that modifications to reference ET equations may be warranted in some tropical regions.

In vivo binding of PRDM9 reveals interactions with noncanonical genomic sites

PubMed Central

Grey, Corinne; Clément, Julie A.J.; Buard, Jérôme; Leblanc, Benjamin; Gut, Ivo; Gut, Marta; Duret, Laurent

2017-01-01

In mouse and human meiosis, DNA double-strand breaks (DSBs) initiate homologous recombination and occur at specific sites called hotspots. The localization of these sites is determined by the sequence-specific DNA binding domain of the PRDM9 histone methyl transferase. Here, we performed an extensive analysis of PRDM9 binding in mouse spermatocytes. Unexpectedly, we identified a noncanonical recruitment of PRDM9 to sites that lack recombination activity and the PRDM9 binding consensus motif. These sites include gene promoters, where PRDM9 is recruited in a DSB-dependent manner. Another subset reveals DSB-independent interactions between PRDM9 and genomic sites, such as the binding sites for the insulator protein CTCF. We propose that these DSB-independent sites result from interactions between hotspot-bound PRDM9 and genomic sequences located on the chromosome axis. PMID:28336543

An electronic atlas on the oceanography of the South China Sea

NASA Astrophysics Data System (ADS)

Rostov, I. D.; Moroz, V. V.; Rudykh, N. I.; Rostov, V. I.

2009-12-01

The digital atlas on CD ROM includes a set of generalized data on the South China Sea oceanography. The data is presented in the form of spreadsheets, graphics, and text. The atlas contains a brief annotated description of the main physical-geographical characteristics and the particularities of the hydrological regime, water masses, tidal phenomena, and water mass circulation. The atlas is an interactive information-reference system including elements of dynamic data visualization. It contains a body of data on the long-term observations of the temperature and salinity; gridded blocks of the average annual, seasonal, and monthly data at the standard depth horizons; and data on the hydrochemical characteristics and water currents obtained by automatic buoy stations (ABS). A list of existing open access data bases and web sites is given where additional online and archived information on a range of special issues and problems related to regional studies and exploitation is provided. The system allows for fast access to specifically selected online or generalized reference information (via the Internet) and for its imaging.

Quantitative functional characterization of conserved molecular interactions in the active site of mannitol 2-dehydrogenase

PubMed Central

Lucas, James E; Siegel, Justin B

2015-01-01

Enzyme active site residues are often highly conserved, indicating a significant role in function. In this study we quantitate the functional contribution for all conserved molecular interactions occurring within a Michaelis complex for mannitol 2-dehydrogenase derived from Pseudomonas fluorescens (pfMDH). Through systematic mutagenesis of active site residues, we reveal that the molecular interactions in pfMDH mediated by highly conserved residues not directly involved in reaction chemistry can be as important to catalysis as those directly involved in the reaction chemistry. This quantitative analysis of the molecular interactions within the pfMDH active site provides direct insight into the functional role of each molecular interaction, several of which were unexpected based on canonical sequence conservation and structural analyses. PMID:25752240

Genotype-environment interaction and stability in ten-year height growth of Norway spruce Clones (Picea abies Karst.).

Treesearch

J.B. St. Clair; J. Kleinschmit

1986-01-01

Norway spruce cuttings of 40 clones were tested on seven contrasting sites in northern Germany. Analysis of variance for ten-year height growth indicate a highly significant clone x site interaction. This interaction may be reduced by selection of stable clones. Several measures of stability were calculated and discussed. Characterization of sites by the method of...

STUDIES OF VERAPAMIL BINDING TO HUMAN SERUM ALBUMIN BY HIGH-PERFORMANCE AFFINITY CHROMATOGRAPHY

PubMed Central

Mallik, Rangan; Yoo, Michelle J.; Chen, Sike; Hage, David S.

2008-01-01

The binding of verapamil to the protein human serum albumin (HSA) was examined by using high-performance affinity chromatography. Many previous reports have investigated the binding of verapamil with HSA, but the exact strength and nature of this interaction (e.g., the number and location of binding sites) is still unclear. In this study, frontal analysis indicated that at least one major binding site was present for R- and S-verapamil on HSA, with estimated association equilibrium constants on the order of 104 M−1 and a 1.4-fold difference in these values for the verapamil enantiomers at pH 7.4 and 37°C. The presence of a second, weaker group of binding sites on HSA was also suggested by these results. Competitive binding studies using zonal elution were carried out between verapamil and various probe compounds that have known interactions with several major and minor sites on HSA. R/S-Verapamil was found to have direct competition with S-warfarin, indicating that verapamil was binding to Sudlow site I (i.e., the warfarin-azapropazone site of HSA). The average association equilibrium constant for R- and S-verapamil at this site was 1.4 (±0.1) × 104 M−1. Verapamil did not have any notable binding to Sudlow site II of HSA but did appear to have some weak allosteric interactions with L-tryptophan, a probe for this site. An allosteric interaction between verapamil and tamoxifen (a probe for the tamoxifen site) was also noted, which was consistent with the binding of verapamil at Sudlow site I. No interaction was seen between verapamil and digitoxin, a probe for the digitoxin site of HSA. These results gave good agreement with previous observations made in the literature and help provide a more detailed description of how verapamil is transported in blood and of how it may interact with other drugs in the body. PMID:18980867

Copper Hazards to Fish, Wildlife, and Invertebrates: A Synoptic Review.

DTIC Science & Technology

1998-01-01

species; Brazil; November 1989; whole Alga, Ascophyllum nodosum England; polluted bay vs. reference site Norway; polluted fjord vs. reference site...concentra- tions of copper are sometimes fatal to ducklings (Wood and Worden 1973) and livestock when fed for extended periods. Domestic sheep ...is widely used in veterinary clinics in medical products (Roncero et al. 1992). Copper sulfate is used by veterinarians to treat cattle and sheep

[Useful web sites for information about the recommendations of good practices in laboratory medicine].

PubMed

Szymanowicz, A; Watine, J

2010-12-01

In this paper are presented some useful web sites to find updated reference tables concerning the recommendations of professional practices in laboratory medicine. The knowledge of these reference tables can allow the biologist to develop its role of advice to the clinicians. It can also help him to assure a relevant interpretation of the laboratory results and to value the interest for the patient.

Strip mine reclamation: criteria and methods for measurement of revegetation success. Progress report, April 1, 1980-March 31, 1981

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carrel, J.E.; Kucera, C.L.; Johannsen, C.J.

1980-12-01

During this contract period research was continued at finding suitable methods and criteria for determining the success of revegetation in Midwestern prime ag lands strip mined for coal. Particularly important to the experimental design was the concept of reference areas, which were nearby fields from which the performance standards for reclaimed areas were derived. Direct and remote sensing techniques for measuring plant ground cover, production, and species composition were tested. 15 mine sites were worked in which were permitted under interim permanent surface mine regulations and in 4 adjoining reference sites. Studies at 9 prelaw sites were continued. All sitesmore » were either in Missouri or Illinois. Data gathered in the 1980 growing season showed that 13 unmanaged or young mineland pastures generally had lower average ground cover and production than 2 reference pastures. In contrast, yields at approximately 40% of 11 recently reclaimed mine sites planted with winter wheat, soybeans, or milo were statistically similar to 3 reference values. Digital computer image analysis of color infrared aerial photographs, when compared to ground level measurements, was a fast, accurate, and inexpensive way to determine plant ground cover and areas. But the remote sensing approach was inferior to standard surface methods for detailing plant species abundance and composition.« less

Nuclear facility decommissioning and site remedial actions: a selected bibliography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Owen, P.T.; Knox, N.P.; Fielden, J.M.

This bibliography contains 693 references with abstracts on the subject of nuclear facility decommissioning, uranium mill tailings management, and site remedial actions. Foreign, as well as domestic, literature of all types - technical reports, progress reports, journal articles, conference papers, symposium proceedings, theses, books, patents, legislation, and research project descriptions - has been included in this publication. The bibliography contains scientific (basic research as well as applied technology), economic, regulatory, and legal literature pertinent to the US Department of Energy's Remedial Action Program. Major chapters are Surplus Facilities Management Program, Nuclear Facilities Decommissioning, Formerly Utilized Sites Remedial Action Program, Uraniummore » Mill Tailings Remedial Action Program, Grand Junction Remedial Action Program, and Uranium Mill Tailings Management. Chapter sections for chapters 1 and 2 include: Design, Planning, and Regulations; Site Surveys; Decontamination Studies; Dismantlement and Demolition; Land Decontamination and Reclamation; Waste Disposal; and General Studies. The references within each chapter are arranged alphabetically by leading author. References having no individual author are arranged by corporate author or by title. Indexes are provided for (1) author; (2) corporate affiliation; (3) title; (4) publication description; (5) geographic location; and (6) keywords. An appendix of 202 bibliographic references without abstracts or indexes has been included in this bibliography. This appendix represents literature identified but not abstracted due to time constraints.« less

Benthic macroinvertebrate and fish communities in Lake Huron are linked to submerged groundwater vents

USGS Publications Warehouse

Garrison, Sanders T.; Biddanda, B.A.; Stricker, C.A.; Nold, S.C.

2011-01-01

Groundwater can be an important source of nutrients and energy to aquatic ecosystems, but quantifying the inputs and biogeochemical importance remains challenging. A series of submerged groundwater vents in northern Lake Huron were examined to determine the linkage between groundwater nutrients and aquatic food webs. We collected samples of key food-web components from groundwater vent and reference habitats and analyzed them for 13C, 15N, and 34S isotopes. Dissolved inorganic carbon (DIC) in the groundwater was depleted in 13C, while aqueous sulfate was enriched in 34S (mean differences between groundwater and reference sites were -3.9% and +12.0%, respectively). Benthic primary producers, macroinvertebrates, and benthivorous fish had significantly lower ??13C values in groundwater environments, and benthivorous fish were somewhat depleted (-2.5%) in ??34S at groundwater sites compared to reference sites. However, ??15N values were not different between groundwater and reference sites, and pelagic components of the ecosystems (plankton and planktivorous and piscivorous fish) were similar in both ??13C and ??15N. These data suggest benthic metazoan communities surrounding groundwater vents are partially linked to groundwater-derived benthic primary production, while planktivorous and piscivorous communities not directly associated with the benthos do not rely on groundwater nutrients. ?? Inter-Research 2011.

Regional reference variation provides ecologically meaningful protection criteria for northern world heritage site.

PubMed

Bowman, Michelle; Spencer, Paula; Dubé, Monique; West, David

2010-01-01

Unprecedented rates of resource development and climate change at northern latitudes coupled with a lack of baseline information limits our ability to set ecologically meaningful criteria needed to protect these inherently sensitive ecosystems. We surveyed water and sediment chemistry, community composition of benthic algae and invertebrates and fish, and condition of a sentinel fish species, slimy sculpin (Cottus cognatus), in 2 rivers adjacent to metal mines and in 20 reference rivers in the headwaters of a World Heritage Site, the South Nahanni River Basin, NWT, Canada. The normal range (i.e., mean ± 2 standard deviations) of biological conditions in regional reference sites (grouped by community type) were used to set ecologically meaningful effect sizes. These effect sizes were used in noncentral hypotheses tests to assess the ecological condition of potentially impaired sites. Significant impairments at sites influenced by current and historical mining activity were indicative of mild enrichment (e.g., increased benthic abundance and sculpin condition) and bioaccumulation of metals (e.g., increased concentrations of Cu and Fe in muscle tissue of sculpin). Comparisons between our regional reference study and a concurrent upstream–downstream study showed that the sensitivity of biological endpoints was typically related to the impairment criteria used and not to the type of study design. Concentrations of metals such as Al, Cu, and Fe in river water at reference sites were above federal and regional guidelines, suggesting that these guidelines are not appropriate for the metal-rich headwaters of the South Nahanni River. The ephemerellid mayflies Drunella spinifera and Ephemerella maculata were present in 4 of our study sites; their occurrence had not previously been documented in the Yukon or Northwest Territories. Our results confirmed that the lack of baseline information on the physiochemical and biological composition of northern rivers is hampering our ability to evaluate changes in these understudied ecosystems. However, the use of noncentral hypotheses tests based on empirically derived effect sizes enabled us to develop ecologically meaningful protection criteria, maintain statistical rigor, and provide probabilities of impairment that can be used directly in risk assessment.

Aboveground Net Primary Productivity in a Riparian Wetland Following Restoration of Hydrology

PubMed Central

Koontz, Melissa; Lundberg, Christopher; Lane, Robert; Day, John; Pezeshki, Reza

2016-01-01

This research presents the initial results of the effects of hydrological restoration on forested wetlands in the Mississippi alluvial plain near Memphis, Tennessee. Measurements were carried out in a secondary channel, the Loosahatchie Chute, in which rock dikes were constructed in the 1960s to keep most flow in the main navigation channel. In 2008–2009, the dikes were notched to allow more flow into the secondary channel. Study sites were established based on relative distance downstream of the notched dikes. Additionally, a reference site was established north of the Loosahatchie Chute where the dikes remained unnotched. We compared various components of vegetation composition and productivity at sites in the riparian wetlands for two years. Salix nigra had the highest Importance Value at every site. Species with minor Importance Values were Celtis laevigata, Acer rubrum, and Plantanus occidentalis. Productivity increased more following the introduction of river water in affected sites compared to the reference. Aboveground net primary productivity was highest at the reference site (2926 ± 458.1 g·m−2·year−1), the intact site; however, there were greater increase at the sites in the Loosahatchie Chute, where measurements ranged from 1197.7 ± 160.0 g m−2·year−1·to 2874.2 ± 794.0 g·m−2·year−1. The site furthest from the notching was the most affected. Pulsed inputs into these wetlands may enhance forested wetland productivity. Continued monitoring will quantify impacts of restored channel hydrology along the Mississippi River. PMID:26861409

Aboveground Net Primary Productivity in a Riparian Wetland Following Restoration of Hydrology.

PubMed

Koontz, Melissa; Lundberg, Christopher; Lane, Robert; Day, John; Pezeshki, Reza

2016-02-04

This research presents the initial results of the effects of hydrological restoration on forested wetlands in the Mississippi alluvial plain near Memphis, Tennessee. Measurements were carried out in a secondary channel, the Loosahatchie Chute, in which rock dikes were constructed in the 1960s to keep most flow in the main navigation channel. In 2008-2009, the dikes were notched to allow more flow into the secondary channel. Study sites were established based on relative distance downstream of the notched dikes. Additionally, a reference site was established north of the Loosahatchie Chute where the dikes remained unnotched. We compared various components of vegetation composition and productivity at sites in the riparian wetlands for two years. Salix nigra had the highest Importance Value at every site. Species with minor Importance Values were Celtis laevigata, Acer rubrum, and Plantanus occidentalis. Productivity increased more following the introduction of river water in affected sites compared to the reference. Aboveground net primary productivity was highest at the reference site (2926 ± 458.1 g·m(-2)·year(-1)), the intact site; however, there were greater increase at the sites in the Loosahatchie Chute, where measurements ranged from 1197.7 ± 160.0 g m(-2)·year(-1)·to 2874.2 ± 794.0 g·m(-2)·year(-1). The site furthest from the notching was the most affected. Pulsed inputs into these wetlands may enhance forested wetland productivity. Continued monitoring will quantify impacts of restored channel hydrology along the Mississippi River.

Assessment of wadeable stream resources in the driftless area ecoregion in Western Wisconsin using a probabilistic sampling design.

PubMed

Miller, Michael A; Colby, Alison C C; Kanehl, Paul D; Blocksom, Karen

2009-03-01

The Wisconsin Department of Natural Resources (WDNR), with support from the U.S. EPA, conducted an assessment of wadeable streams in the Driftless Area ecoregion in western Wisconsin using a probabilistic sampling design. This ecoregion encompasses 20% of Wisconsin's land area and contains 8,800 miles of perennial streams. Randomly-selected stream sites (n = 60) equally distributed among stream orders 1-4 were sampled. Watershed land use, riparian and in-stream habitat, water chemistry, macroinvertebrate, and fish assemblage data were collected at each true random site and an associated "modified-random" site on each stream that was accessed via a road crossing nearest to the true random site. Targeted least-disturbed reference sites (n = 22) were also sampled to develop reference conditions for various physical, chemical, and biological measures. Cumulative distribution function plots of various measures collected at the true random sites evaluated with reference condition thresholds, indicate that high proportions of the random sites (and by inference the entire Driftless Area wadeable stream population) show some level of degradation. Study results show no statistically significant differences between the true random and modified-random sample sites for any of the nine physical habitat, 11 water chemistry, seven macroinvertebrate, or eight fish metrics analyzed. In Wisconsin's Driftless Area, 79% of wadeable stream lengths were accessible via road crossings. While further evaluation of the statistical rigor of using a modified-random sampling design is warranted, sampling randomly-selected stream sites accessed via the nearest road crossing may provide a more economical way to apply probabilistic sampling in stream monitoring programs.

An effective system for detecting protein-protein interaction based on in vivo cleavage by PPV NIa protease.

PubMed

Zheng, Nuoyan; Huang, Xiahe; Yin, Bojiao; Wang, Dan; Xie, Qi

2012-12-01

Detection of protein-protein interaction can provide valuable information for investigating the biological function of proteins. The current methods that applied in protein-protein interaction, such as co-immunoprecipitation and pull down etc., often cause plenty of working time due to the burdensome cloning and purification procedures. Here we established a system that characterization of protein-protein interaction was accomplished by co-expression and simply purification of target proteins from one expression cassette within E. coli system. We modified pET vector into co-expression vector pInvivo which encoded PPV NIa protease, two cleavage site F and two multiple cloning sites that flanking cleavage sites. The target proteins (for example: protein A and protein B) were inserted at multiple cloning sites and translated into polyprotein in the order of MBP tag-protein A-site F-PPV NIa protease-site F-protein B-His(6) tag. PPV NIa protease carried out intracellular cleavage along expression, then led to the separation of polyprotein components, therefore, the interaction between protein A-protein B can be detected through one-step purification and analysis. Negative control for protein B was brought into this system for monitoring interaction specificity. We successfully employed this system to prove two cases of reported protien-protein interaction: RHA2a/ANAC and FTA/FTB. In conclusion, a convenient and efficient system has been successfully developed for detecting protein-protein interaction.

Physical interaction of the activator protein-1 factors c-Fos and c-Jun with Cbfa1 for collagenase-3 promoter activation

NASA Technical Reports Server (NTRS)

D'Alonzo, Richard C.; Selvamurugan, Nagarajan; Karsenty, Gerard; Partridge, Nicola C.

2002-01-01

Previously, we determined that the activator protein-1 (AP-1)-binding site and the runt domain (RD)-binding site and their binding proteins, c-Fos.c-Jun and Cbfa, regulate the collagenase-3 promoter in parathyroid hormone-treated and differentiating osteoblasts. Here we show that Cbfa1 and c-Fos.c-Jun appear to cooperatively bind the RD- and AP-1-binding sites and form ternary structures in vitro. Both in vitro and in vivo co-immunoprecipitation and yeast two-hybrid studies further demonstrate interaction between Cbfa1 with c-Fos and c-Jun in the absence of phosphorylation and without binding to DNA. Additionally, only the runt domain of Cbfa1 was required for interaction with c-Jun and c-Fos. In mammalian cells, overexpression of Cbfa1 enhanced c-Jun activation of AP-1-binding site promoter activity, demonstrating functional interaction. Finally, insertion of base pairs that disrupted the helical phasing between the AP-1- and RD-binding sites also inhibited collagenase-3 promoter activation. Thus, we provide direct evidence that Cbfa1 and c-Fos.c-Jun physically interact and cooperatively bind the AP-1- and RD-binding sites in the collagenase-3 promoter. Moreover, the AP-1- and RD-binding sites appear to be organized in a specific required helical arrangement that facilitates transcription factor interaction and enables promoter activation.

An evaluation of North Carolina Department of Transportation wetland mitigation sites : selected case studies, phase 2 report.

DOT National Transportation Integrated Search

2012-03-01

Phase 1 of this study evaluated 50 NCDOT wetland compensatory mitigation sites and 11 reference sites in 1999. The : Phase 2 component (this report) examines five of the compensatory mitigation sites to provide a more in-depth analysis. The : objecti...

40 CFR 53.30 - General provisions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... more information about the site. Any such pre-test approval of a test site by the EPA shall indicate... Methods and Reference Methods § 53.30 General provisions. (a) Determination of comparability. The test... discretion of the Administrator. (b) Selection of test sites. (1) Each test site shall be in an area which...

40 CFR 53.30 - General provisions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... more information about the site. Any such pre-test approval of a test site by the EPA shall indicate... Methods and Reference Methods § 53.30 General provisions. (a) Determination of comparability. The test... discretion of the Administrator. (b) Selection of test sites. (1) Each test site shall be in an area which...

40 CFR 53.30 - General provisions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... more information about the site. Any such pre-test approval of a test site by the EPA shall indicate... Methods and Reference Methods § 53.30 General provisions. (a) Determination of comparability. The test... discretion of the Administrator. (b) Selection of test sites. (1) Each test site shall be in an area which...

40 CFR 53.30 - General provisions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... more information about the site. Any such pre-test approval of a test site by the EPA shall indicate... Methods and Reference Methods § 53.30 General provisions. (a) Determination of comparability. The test... discretion of the Administrator. (b) Selection of test sites. (1) Each test site shall be in an area which...

40 CFR 53.30 - General provisions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... more information about the site. Any such pre-test approval of a test site by the EPA shall indicate... Methods and Reference Methods § 53.30 General provisions. (a) Determination of comparability. The test... discretion of the Administrator. (b) Selection of test sites. (1) Each test site shall be in an area which...

77 FR 9652 - Proposed CERCLA Administrative Cost Recovery Settlement; Lake Linden Superfund Site in Lake...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-02-17

... Settlement; Lake Linden Superfund Site in Lake Linden, Houghton County, MI AGENCY: Environmental Protection... concerning the Lake Linden Superfund Site in Lake Linden, Houghton County, Michigan with Honeywell Specialty...-6609. Comments should reference the Lake Linden Superfund Site in Lake Linden, Houghton County...

Evaluation of an improved intermediate complexity snow scheme in the ORCHIDEE land surface model

NASA Astrophysics Data System (ADS)

Wang, Tao; Ottlé, Catherine; Boone, Aaron; Ciais, Philippe; Brun, Eric; Morin, Samuel; Krinner, Gerhard; Piao, Shilong; Peng, Shushi

2013-06-01

Snow plays an important role in land surface models (LSM) for climate and model applied over Fran studies, but its current treatment as a single layer of constant density and thermal conductivity in ORCHIDEE (Organizing Carbon and Hydrology in Dynamic Ecosystems) induces significant deficiencies. The intermediate complexity snow scheme ISBA-ES (Interaction between Soil, Biosphere and Atmosphere-Explicit Snow) that includes key snow processes has been adapted and implemented into ORCHIDEE, referred to here as ORCHIDEE-ES. In this study, the adapted scheme is evaluated against the observations from the alpine site Col de Porte (CDP) with a continuous 18 year data set and from sites distributed in northern Eurasia. At CDP, the comparisons of snow depth, snow water equivalent, surface temperature, snow albedo, and snowmelt runoff reveal that the improved scheme in ORCHIDEE is capable of simulating the internal snow processes better than the original one. Preliminary sensitivity tests indicate that snow albedo parameterization is the main cause for the large difference in snow-related variables but not for soil temperature simulated by the two models. The ability of the ORCHIDEE-ES to better simulate snow thermal conductivity mainly results in differences in soil temperatures. These are confirmed by performing sensitivity analysis of ORCHIDEE-ES parameters using the Morris method. These features can enable us to more realistically investigate interactions between snow and soil thermal regimes (and related soil carbon decomposition). When the two models are compared over sites located in northern Eurasia from 1979 to 1993, snow-related variables and 20 cm soil temperature are better reproduced by ORCHIDEE-ES than ORCHIDEE, revealing a more accurate representation of spatio-temporal variability.

Narratives of empowerment and compliance: studies of communication in online patient support groups.

PubMed

Wentzer, Helle S; Bygholm, Ann

2013-12-01

New technologies enable new forms of patient participation in health care. The article discusses whether communication in online patient support groups is a source of individual as well as collective empowerment or to be understood within the tradition of compliance. The discussion is based on a qualitative analysis of patient communication in two online groups on the Danish portal sundhed.dk, one for lung patients and one for women with fertility problems. The object of study is the total sum of postings during a specific period of time - a total of 4301 posts are included. The textmaterial was analyzed according to the textual paradigm of Paul Ricoeur, and the three steps of critical interpretation. Thus, the analysis moves from describing communicative characteristics of the site to a thorough semantic analysis of its narrative structure of construing meaning, interaction and collective identity, and finally as a source of collective action. The meta-narratives of the two groups confirm online patient support groups for individual empowerment, for collective group identity, but not for collective empowerment. The collective identities of patienthood on the two sites are created by the users (patients) through specific styles of communication and interaction, referred to as 'multi-logical narratives'. In spite of the potential of online communities of opening up health care to the critical voice of the public, the analysis points to a synthesis of the otherwise opposite positions of empowerment and compliance in patient care. On a collective level, the site is empowering the individual users to comply with 'doctor's recommendations' as a group. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Design, synthesis and evaluation of some N-methylenebenzenamine derivatives as selective acetylcholinesterase (AChE) inhibitor and antioxidant to enhance learning and memory.

PubMed

Shrivastava, Sushant K; Srivastava, Pavan; Upendra, T V R; Tripathi, Prabhash Nath; Sinha, Saurabh K

2017-02-15

Series of some 3,5-dimethoxy-N-methylenebenzenamine and 4-(methyleneamino)benzoic acid derivatives comprising of N-methylenebenzenamine nucleus were designed, synthesized, characterized, and assessed for their acetylcholinesterase (AChE), butyrylcholinesterase (BChE) inhibitory, and antioxidant activity thereby improving learning and memory in rats. The IC 50 values of all the compound along with standard were determined on AChE and BChE enzyme. The free radical scavenging activity was also assessed by in vitro DPPH (2,2-diphenyl-1-picryl-hydrazyl) and hydrogen peroxide radical scavenging assay. The selective inhibitions of all compounds were observed against AChE in comparison with standard donepezil. The enzyme kinetic study of the most active compound 4 indicated uncompetitive AChE inhibition. The docking studies of compound 4 exhibited the worthy interaction on active-site gorge residues Phe330 and Trp279 responsible for its high affinity towards AChE, whereas lacking of the BChE inhibition was observed due to a wider gorge binding site and absence of important aromatic amino acids interactions. The ex vivo study confirmed AChE inhibition abilities of compound 4 at brain site. Further, a considerable decrease in escape latency period of the compound was observed in comparison with standard donepezil through in vivo Spatial Reference Memory (SRM) and Spatial Working Memory (SWM) models which showed the cognition-enhancing potential of compound 4. The in vivo reduced glutathione (GSH) estimation on rat brain tissue homogenate was also performed to evaluate free radical scavenging activity substantiated the antioxidant activity in learning and memory. Copyright © 2017 Elsevier Ltd. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

K.E. Rasmuson

The U.S. Department of Energy has implemented a program to reclaim lands disturbed by site characterization at Yucca Mountain. Long term goals of the program are to re-establish processes on disturbed sites that will lead to self-sustaining plant communities. The Biological Opinion for Yucca Mountain Site Characterization Studies required that the U.S. Department of Energy develop a Reclamation Standards and Monitoring Plan to evaluate the success of reclamation efforts. According to the Reclamation Standards and Monitoring Plan, reclaimed sites will be monitored periodically, remediated if necessary, and eventually compared to an appropriate reference area to determine whether reclamation goals havemore » been achieved and the site can be released from further monitoring. Plant cover, density, and species richness (success parameters) on reclaimed sites are compared to 60 percent of the values (success criteria) for the same parameters on the reference area. Small sites (less than 0.1 ha) are evaluated for release using qualitative methods while large sites (greater than 0.1 ha) are evaluated using quantitative methods. In the summer of 2000, 31 small sites reclaimed in 1993 and 1994 were evaluated for reclamation success and potential release from further monitoring. Plant density, cover, and species richness were estimated on the C-Well Pipeline, UE-25 Large Rocks test site, and 29 ground surface facility test pits. Evidence of erosion, reproduction and natural recruitment, exotic species abundance, and animal use (key attributes) also were recorded for each site and used in success evaluations. The C-Well Pipeline and ground surface facility test pits were located in a ''Larrea tridentata - Ephedra nevadensis'' vegetation association while the UE-25 Large Rocks test site was located in an area dominated by ''Coleogyne ramosissima and Ephedra nevadensis''. Reference areas in the same vegetation associations with similar slope and aspect were chosen for comparison to the reclaimed sites. Sixty percent of the reference area means for density, cover, and species richness were compared to the estimated means for the reclaimed sites. Plant density, cover, and species richness at the C-Well Pipeline and UE-25 Large Rocks test site were greater than the success criteria and all key attributes indicated the sites were in acceptable condition. Therefore, these two sites were recommended for release from further monitoring. Of the 29 ground surface facility test pits, 26 met the criterion for density, 21 for cover, and 23 for species richness. When key attributes and conditions of the plant community near each pit were taken into account, 27 of these pits were recommended for release. Success parameters and key attributes at ground surface facility test pits 19 and 20 were inadequate for site release. Transplants of native species were added to these two sites in 2001 to improve density, cover, and species richness.« less

76 FR 41441 - Federal Housing Administration (FHA) Appraiser Roster: Appraiser Qualifications for Placement on...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-14

... the FHA Appraiser Roster by replacing the obsolete references to the Credit Alert Interactive Voice Response System with references to its successor, the online-based Credit Alert Verification Reporting...'s Limited Denial of Participation list, or in HUD's Credit Alert Interactive Voice Response System...

Temporal changes in taxonomic and functional diversity of fish assemblages downstream from mountaintop mining

USGS Publications Warehouse

Hitt, Nathaniel P.; Chambers, Douglas B.

2014-01-01

Mountaintop mining (MTM) affects chemical, physical, and hydrological properties of receiving streams, but the long-term consequences for fish-assemblage structure and function are poorly understood. We sampled stream fish assemblages using electrofishing techniques in MTM exposure sites and reference sites within the Guyandotte River basin, USA, during 2010–2011. We calculated indices of taxonomic diversity (species richness, abundance, Shannon diversity) and functional diversity (functional richness, functional evenness, functional divergence) to compare exposure and reference assemblages between seasons (spring and autumn) and across years (1999–2011). We based temporal comparisons on 2 sites that were sampled during 1999–2001 by Stauffer and Ferreri (2002). Exposure assemblages had lower taxonomic and functional diversity than reference assemblages or simulated assemblages that accounted for random variation. Differences in taxonomic composition between reference and exposure assemblages were associated with conductivity and aqueous Se concentrations. Exposure assemblages had fewer species, lower abundances, and less biomass than reference assemblages across years and seasons. Green Sunfish (Lepomis cyanellus) and Creek Chub (Semotilus atromaculatus) became numerically dominant in exposure assemblages over time because of their persistence and losses of other taxa. In contrast, species richness increased over time in reference assemblages, a result that may indicate recovery from drought. Mean individual biomass increased as fish density decreased and most obligate invertivores were apparently extirpated at MTM exposure sites. Effects of MTM were not related to physical-habitat conditions but were associated with water-quality variables, which may limit quality and availability of benthic macroinvertebrate prey. Simulations revealed effects of MTM that could not be attributed to random variation in fish assemblage structure.

Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

NASA Astrophysics Data System (ADS)

Cisneros, G. Andrés; Piquemal, Jean-Philip; Darden, Thomas A.

2006-11-01

The simulation of biological systems by means of current empirical force fields presents shortcomings due to their lack of accuracy, especially in the description of the nonbonded terms. We have previously introduced a force field based on density fitting termed the Gaussian electrostatic model-0 (GEM-0) J.-P. Piquemal et al. [J. Chem. Phys. 124, 104101 (2006)] that improves the description of the nonbonded interactions. GEM-0 relies on density fitting methodology to reproduce each contribution of the constrained space orbital variation (CSOV) energy decomposition scheme, by expanding the electronic density of the molecule in s-type Gaussian functions centered at specific sites. In the present contribution we extend the Coulomb and exchange components of the force field to auxiliary basis sets of arbitrary angular momentum. Since the basis functions with higher angular momentum have directionality, a reference molecular frame (local frame) formalism is employed for the rotation of the fitted expansion coefficients. In all cases the intermolecular interaction energies are calculated by means of Hermite Gaussian functions using the McMurchie-Davidson [J. Comput. Phys. 26, 218 (1978)] recursion to calculate all the required integrals. Furthermore, the use of Hermite Gaussian functions allows a point multipole decomposition determination at each expansion site. Additionally, the issue of computational speed is investigated by reciprocal space based formalisms which include the particle mesh Ewald (PME) and fast Fourier-Poisson (FFP) methods. Frozen-core (Coulomb and exchange-repulsion) intermolecular interaction results for ten stationary points on the water dimer potential-energy surface, as well as a one-dimensional surface scan for the canonical water dimer, formamide, stacked benzene, and benzene water dimers, are presented. All results show reasonable agreement with the corresponding CSOV calculated reference contributions, around 0.1 and 0.15kcal/mol error for Coulomb and exchange, respectively. Timing results for single Coulomb energy-force calculations for (H2O)n, n =64, 128, 256, 512, and 1024, in periodic boundary conditions with PME and FFP at two different rms force tolerances are also presented. For the small and intermediate auxiliaries, PME shows faster times than FFP at both accuracies and the advantage of PME widens at higher accuracy, while for the largest auxiliary, the opposite occurs.

Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

PubMed Central

Cisneros, G. Andrés; Piquemal, Jean-Philip; Darden, Thomas A.

2007-01-01

The simulation of biological systems by means of current empirical force fields presents shortcomings due to their lack of accuracy, especially in the description of the nonbonded terms. We have previously introduced a force field based on density fitting termed the Gaussian electrostatic model-0 (GEM-0) J.-P. Piquemal et al. [J. Chem. Phys. 124, 104101 (2006)] that improves the description of the nonbonded interactions. GEM-0 relies on density fitting methodology to reproduce each contribution of the constrained space orbital variation (CSOV) energy decomposition scheme, by expanding the electronic density of the molecule in s-type Gaussian functions centered at specific sites. In the present contribution we extend the Coulomb and exchange components of the force field to auxiliary basis sets of arbitrary angular momentum. Since the basis functions with higher angular momentum have directionality, a reference molecular frame (local frame) formalism is employed for the rotation of the fitted expansion coefficients. In all cases the intermolecular interaction energies are calculated by means of Hermite Gaussian functions using the McMurchie-Davidson [J. Comput. Phys. 26, 218 (1978)] recursion to calculate all the required integrals. Furthermore, the use of Hermite Gaussian functions allows a point multipole decomposition determination at each expansion site. Additionally, the issue of computational speed is investigated by reciprocal space based formalisms which include the particle mesh Ewald (PME) and fast Fourier-Poisson (FFP) methods. Frozen-core (Coulomb and exchange-repulsion) intermolecular interaction results for ten stationary points on the water dimer potential-energy surface, as well as a one-dimensional surface scan for the canonical water dimer, formamide, stacked benzene, and benzene water dimers, are presented. All results show reasonable agreement with the corresponding CSOV calculated reference contributions, around 0.1 and 0.15 kcal/mol error for Coulomb and exchange, respectively. Timing results for single Coulomb energy-force calculations for (H2O)n, n=64, 128, 256, 512, and 1024, in periodic boundary conditions with PME and FFP at two different rms force tolerances are also presented. For the small and intermediate auxiliaries, PME shows faster times than FFP at both accuracies and the advantage of PME widens at higher accuracy, while for the largest auxiliary, the opposite occurs. PMID:17115732

Comprehensive implementation plan for the DOE defense buried TRU- contaminated waste program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Everette, S.E.; Detamore, J.A.; Raudenbush, M.H.

1988-02-01

In 1970, the US Atomic Energy Commission established a transuranic'' (TRU) waste classification. Waste disposed of prior to the decision to retrievably store the waste and which may contain TRU contamination is referred to as buried transuranic-contaminated waste'' (BTW). The DOE reference plan for BTW, stated in the Defense Waste Management Plan, is to monitor it, to take such remedial actions as may be necessary, and to re-evaluate its safety as necessary or in about 10-year periods. Responsibility for management of radioactive waste and byproducts generated by DOE belongs to the Secretary of Energy. Regulatory control for these sites containingmore » mixed waste is exercised by both DOE (radionuclides) and EPA (hazardous constituents). Each DOE Operations Office is responsible for developing and implementing plans for long-term management of its radioactive and hazardous waste sites. This comprehensive plan includes site-by-site long-range plans, site characteristics, site costs, and schedules at each site. 13 figs., 15 tabs.« less

Mapping Interaction Sites on Human Chemokine Receptors by Deep Mutational Scanning.

PubMed

Heredia, Jeremiah D; Park, Jihye; Brubaker, Riley J; Szymanski, Steven K; Gill, Kevin S; Procko, Erik

2018-06-01

Chemokine receptors CXCR4 and CCR5 regulate WBC trafficking and are engaged by the HIV-1 envelope glycoprotein gp120 during infection. We combine a selection of human CXCR4 and CCR5 libraries comprising nearly all of ∼7000 single amino acid substitutions with deep sequencing to define sequence-activity landscapes for surface expression and ligand interactions. After consideration of sequence constraints for surface expression, known interaction sites with HIV-1-blocking Abs were appropriately identified as conserved residues following library sorting for Ab binding, validating the use of deep mutational scanning to map functional interaction sites in G protein-coupled receptors. Chemokine CXCL12 was found to interact with residues extending asymmetrically into the CXCR4 ligand-binding cavity, similar to the binding surface of CXCR4 recognized by an antagonistic viral chemokine previously observed crystallographically. CXCR4 mutations distal from the chemokine binding site were identified that enhance chemokine recognition. This included disruptive mutations in the G protein-coupling site that diminished calcium mobilization, as well as conservative mutations to a membrane-exposed site (CXCR4 residues H79 2.45 and W161 4.50 ) that increased ligand binding without loss of signaling. Compared with CXCR4-CXCL12 interactions, CCR5 residues conserved for gp120 (HIV-1 BaL strain) interactions map to a more expansive surface, mimicking how the cognate chemokine CCL5 makes contacts across the entire CCR5 binding cavity. Acidic substitutions in the CCR5 N terminus and extracellular loops enhanced gp120 binding. This study demonstrates how comprehensive mutational scanning can define functional interaction sites on receptors, and novel mutations that enhance receptor activities can be found simultaneously. Copyright © 2018 by The American Association of Immunologists, Inc.

Evaluation of drug interaction microcomputer software: Dambro's Drug Interactions.

PubMed

Poirier, T I; Giudici, R A

1990-01-01

Dambro's Drug Interactions was evaluated using general and specific criteria. The installation process, ease of learning and use were rated excellent. The user documentation and quality of the technical support were good. The scope of coverage, clinical documentation, frequency of updates, and overall clinical performance were fair. The primary advantages of the program are the quick searching and detection of drug interactions, and the attempt to provide useful interaction data, i.e., significance and reference. The disadvantages are the lack of current drug interaction information, outdated references, lack of evaluative drug interaction information, and the inability to save or print patient profiles. The program is not a good value for the pharmacist but has limited use as a quick screening tool.

The application and value of virtual animation in Jinzhai revolutionary site

NASA Astrophysics Data System (ADS)

Liu, Gang; Zhou, Xiaocheng

2017-04-01

A virtual interactive technology in Jinzhai revolutionary site virtual interactive animation, with “Internet plus Jinzhai revolutionary site virtual animation” spread display, to achieve a variety of ways to carry forward the patriotic education, Jinzhai red culture, but also promote benign circulation of red tourism and economic development of Jinzhai revolutionary site protection investment group.

Predicting Displaceable Water Sites Using Mixed-Solvent Molecular Dynamics.

PubMed

Graham, Sarah E; Smith, Richard D; Carlson, Heather A

2018-02-26

Water molecules are an important factor in protein-ligand binding. Upon binding of a ligand with a protein's surface, waters can either be displaced by the ligand or may be conserved and possibly bridge interactions between the protein and ligand. Depending on the specific interactions made by the ligand, displacing waters can yield a gain in binding affinity. The extent to which binding affinity may increase is difficult to predict, as the favorable displacement of a water molecule is dependent on the site-specific interactions made by the water and the potential ligand. Several methods have been developed to predict the location of water sites on a protein's surface, but the majority of methods are not able to take into account both protein dynamics and the interactions made by specific functional groups. Mixed-solvent molecular dynamics (MixMD) is a cosolvent simulation technique that explicitly accounts for the interaction of both water and small molecule probes with a protein's surface, allowing for their direct competition. This method has previously been shown to identify both active and allosteric sites on a protein's surface. Using a test set of eight systems, we have developed a method using MixMD to identify conserved and displaceable water sites. Conserved sites can be determined by an occupancy-based metric to identify sites which are consistently occupied by water even in the presence of probe molecules. Conversely, displaceable water sites can be found by considering the sites which preferentially bind probe molecules. Furthermore, the inclusion of six probe types allows the MixMD method to predict which functional groups are capable of displacing which water sites. The MixMD method consistently identifies sites which are likely to be nondisplaceable and predicts the favorable displacement of water sites that are known to be displaced upon ligand binding.

Utilization of smoking cessation informational, interactive, and online community resources as predictors of abstinence: cohort study.

PubMed

An, Lawrence C; Schillo, Barbara A; Saul, Jessie E; Wendling, Ann H; Klatt, Colleen M; Berg, Carla J; Ahulwalia, Jasjit S; Kavanaugh, Annette M; Christenson, Matthew; Luxenberg, Michael G

2008-12-20

The association between greater utilization of Web-assisted tobacco interventions and increased abstinence rates is well recognized. However, there is little information on how utilization of specific website features influences quitting. To determine the association between utilization of informational, interactive, and online community resources (eg. bulletin boards) and abstinence rates, with the broader objective to identify potential strategies for improving outcomes for Web-assisted tobacco interventions. In Spring 2004, a cohort of 607 quitplan.com users consented to participate in an evaluation of quitplan.com, a Minnesota branded version of QuitNet.com. We developed utilization measures for different site features: general information, interactive diagnostic tools and quit planning tools, online expert counseling, passive (ie, reading of bulletin boards) and active (ie, public posting) online community engagement, and one-to-one messaging with other virtual community members. Using bivariate, multivariate, and path analyses, we examined the relationship between utilization of specific site features and 30-day abstinence at 6 months. The most commonly used resources were the interactive quit planning tools (used by 77% of site users). Other informational resources (ie, quitting guides) were used more commonly (60% of users) than passive (38%) or active (24%) community features. Online community engagement through one-to-one messaging was low (11%) as was use of online counseling (5%). The 30-day abstinence rate among study participants at 6 months was 9.7% (95% Confidence Interval [CI] 7.3% - 12.1%). In the logistic regression model, neither the demographic data (eg, age, gender, education level, employment, or insurance status) nor the smoking-related data (eg, cigarettes per day, time to first morning cigarette, baseline readiness to quit) nor use of smoking cessation medications entered the model as significant predictors of abstinence. Individuals who used the interactive quit planning tools once, two to three times, or four or more times had an odds of abstinence of 0.65 (95% Confidence Interval [CI] 0.22 - 1.94), 1.87 (95% CI 0.77 - 4.56), and 2.35 (95% CI 1.0 - 5.58), respectively. The use of one-to-one messages (reference = none vs 1 or more) entered the final model as potential predictor for abstinence, though the significance of this measure was marginal (OR = 1.91, 95% CI 0.92 - 3.97, P = .083). In the path analysis, an apparent association between active online community engagement and abstinence was accounted for in large part by increased use of interactive quitting tools and one-to-one messaging. Use of interactive quitting tools, and perhaps one-to-one messaging with other members of the online community, was associated with increased abstinence rates among quitplan.com users. Designs that facilitate use of these features should be considered.

Relating FTS Catalyst Properties to Performance

NASA Technical Reports Server (NTRS)

Ma, Wenping; Ramana Rao Pendyala, Venkat; Gao, Pei; Jermwongratanachai, Thani; Jacobs, Gary; Davis, Burton H.

2016-01-01

During the reporting period June 23, 2011 to August 31, 2013, CAER researchers carried out research in two areas of fundamental importance to the topic of cobalt-based Fischer-Tropsch Synthesis (FTS): promoters and stability. The first area was research into possible substitute promoters that might be used to replace the expensive promoters (e.g., Pt, Re, and Ru) that are commonly used. To that end, three separate investigations were carried out. Due to the strong support interaction of ?-Al2O3 with cobalt, metal promoters are commonly added to commercial FTS catalysts to facilitate the reduction of cobalt oxides and thereby boost active surface cobalt metal sites. To date, the metal promoters examined have been those up to and including Group 11. Because two Group 11 promoters (i.e., Ag and Au) were identified to exhibit positive impacts on conversion, selectivity, or both, research was undertaken to explore metals in Groups 12 - 14. The three metals selected for this purpose were Cd, In, and Sn. At a higher loading of 25%Co on alumina, 1% addition of Cd, In, or Sn was found to-on average-facilitate reduction by promoting a heterogeneous distribution of cobalt consisting of larger lesser interacting cobalt clusters and smaller strongly interacting cobalt species. The lesser interacting species were identified in TPR profiles, where a sharp low temperature peak occurred for the reduction of larger, weakly interacting, CoO species. In XANES, the Cd, In, and Sn promoters were found to exist as oxides, whereas typical promoters (e.g., Re, Ru, Pt) were previously determined to exist in an metallic state in atomic coordination with cobalt. The larger cobalt clusters significantly decreased the active site density relative to the unpromoted 25%Co/Al2O3 catalyst. Decreasing the cobalt loading to 15%Co eliminated the large non-interacting species. The TPR peak for reduction of strongly interacting CoO in the Cd promoted catalyst occurred at a measurably lower temperature than in the unpromoted catalyst. Nevertheless, the Co clusters remained slightly larger, on average, in comparison with the unpromoted 15%Co/Al2O3 reference catalyst. None of the promoted catalysts (i.e., with Cd, In, or Sn) exhibited surface Co0 site densities higher than that of the unpromoted catalyst. In activity testing, the activities were even much lower than what was expected from the H2-TPD results. Two possible explanations were proposed: (1) the promoters may be located on the surfaces of cobalt particles, blocking surface Co0 but being able to desorb hydrogen or (2) the promoters may facilitate Co oxidation during FTS, as previously observed by Huffman and coworkers when K was added to cobalt catalysts.

Dike/Drift Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

E. Gaffiney

2004-11-23

This report presents and documents the model components and analyses that represent potential processes associated with propagation of a magma-filled crack (dike) migrating upward toward the surface, intersection of the dike with repository drifts, flow of magma in the drifts, and post-magma emplacement effects on repository performance. The processes that describe upward migration of a dike and magma flow down the drift are referred to as the dike intrusion submodel. The post-magma emplacement processes are referred to as the post-intrusion submodel. Collectively, these submodels are referred to as a conceptual model for dike/drift interaction. The model components and analyses ofmore » the dike/drift interaction conceptual model provide the technical basis for assessing the potential impacts of an igneous intrusion on repository performance, including those features, events, and processes (FEPs) related to dike/drift interaction (Section 6.1).« less

Performance Evaluation and Community Application of Low-Cost Sensors for Ozone and Nitrogen Dioxide

PubMed Central

Duvall, Rachelle M.; Long, Russell W.; Beaver, Melinda R.; Kronmiller, Keith G.; Wheeler, Michael L.; Szykman, James J.

2016-01-01

This study reports on the performance of electrochemical-based low-cost sensors and their use in a community application. CairClip sensors were collocated with federal reference and equivalent methods and operated in a network of sites by citizen scientists (community members) in Houston, Texas and Denver, Colorado, under the umbrella of the NASA-led DISCOVER-AQ Earth Venture Mission. Measurements were focused on ozone (O3) and nitrogen dioxide (NO2). The performance evaluation showed that the CairClip O3/NO2 sensor provided a consistent measurement response to that of reference monitors (r2 = 0.79 in Houston; r2 = 0.72 in Denver) whereas the CairClip NO2 sensor measurements showed no agreement to reference measurements. The CairClip O3/NO2 sensor data from the citizen science sites compared favorably to measurements at nearby reference monitoring sites. This study provides important information on data quality from low-cost sensor technologies and is one of few studies that reports sensor data collected directly by citizen scientists. PMID:27754370

New reference values for thyroid volume by ultrasound in iodine-sufficient schoolchildren: a World Health Organization/Nutrition for Health and Development Iodine Deficiency Study Group Report.

PubMed

Zimmermann, Michael B; Hess, Sonja Y; Molinari, Luciano; De Benoist, Bruno; Delange, François; Braverman, Lewis E; Fujieda, Kenji; Ito, Yoshiya; Jooste, Pieter L; Moosa, Khairya; Pearce, Elizabeth N; Pretell, Eduardo A; Shishiba, Yoshimasa

2004-02-01

Goiter prevalence in school-age children is an indicator of the severity of iodine deficiency disorders (IDDs) in a population. In areas of mild-to-moderate IDDs, measurement of thyroid volume (Tvol) by ultrasound is preferable to palpation for grading goiter, but interpretation requires reference criteria from iodine-sufficient children. The study aim was to establish international reference values for Tvol by ultrasound in 6-12-y-old children that could be used to define goiter in the context of IDD monitoring. Tvol was measured by ultrasound in 6-12-y-old children living in areas of long-term iodine sufficiency in North and South America, central Europe, the eastern Mediterranean, Africa, and the western Pacific. Measurements were made by 2 experienced examiners using validated techniques. Data were log transformed, used to calculate percentiles on the basis of the Gaussian distribution, and then transformed back to the linear scale. Age- and body surface area (BSA)-specific 97th percentiles for Tvol were calculated for boys and girls. The sample included 3529 children evenly divided between boys and girls at each year ( +/- SD age: 9.3 +/- 1.9 y). The range of median urinary iodine concentrations for the 6 study sites was 118-288 micro g/L. There were significant differences in age- and BSA-adjusted mean Tvols between sites, which suggests that population-specific references in countries with long-standing iodine sufficiency may be more accurate than is a single international reference. However, overall differences in age- and BSA-adjusted Tvols between sites were modest relative to the population and measurement variability, which supports the use of a single, site-independent set of references. These new international reference values for Tvol by ultrasound can be used for goiter screening in the context of IDD monitoring.

Interactions at the Dimer Interface Influence the Relative Efficiencies for Purine Nucleotide Synthesis and Pyrophosphorolysis in a Phosphoribosyltransferase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Canyuk, Bhutorn; Medrano, Francisco J.; Wenck, MaryAnne

2010-03-05

Enzymes that salvage 6-oxopurines, including hypoxanthine phosphoribosyltransferases (HPRTs), are potential targets for drugs in the treatment of diseases caused by protozoan parasites. For this reason, a number of high-resolution X-ray crystal structures of the HPRTs from protozoa have been reported. Although these structures did not reveal why HPRTs need to form dimers for catalysis, they revealed the existence of potentially relevant interactions involving residues in a loop of amino acid residues adjacent to the dimer interface, but the contributions of these interactions to catalysis remained poorly understood. The loop, referred to as active-site loop I, contains an unusual non-proline cis-peptidemore » and is composed of residues that are structurally analogous with Leu67, Lys68, and Gly69 in the human HPRT. Functional analyses of site-directed mutations (K68D, K68E, K68N, K68P, and K68R) in the HPRT from Trypanosoma cruzi, etiologic agent of Chagas disease, show that the side-chain at position 68 can differentially influence the K{sub m} values for all four substrates as well as the k{sub cat} values for both IMP formation and pyrophosphorolysis. Also, the results for the K68P mutant are inconsistent with a cis-trans peptide isomerization-assisted catalytic mechanism. These data, together with the results of structural studies of the K68R mutant, reveal that the side-chain of residue 68 does not participate directly in reaction chemistry, but it strongly influences the relative efficiencies for IMP formation and pyrophosphorolysis, and the prevalence of lysine at position 68 in the HPRT of the majority of eukaryotes is consistent with there being a biological role for nucleotide pyrophosphorolysis.« less

Mechanism of inhibition of HIV-1 integrase by G-tetrad-forming oligonucleotides in Vitro.

PubMed

Jing, N; Marchand, C; Liu, J; Mitra, R; Hogan, M E; Pommier, Y

2000-07-14

The G-tetrad-forming oligonucleotides and have been identified as potent inhibitors of human immunodeficiency virus type 1 integrase (HIV-1 IN) activity (Rando, R. F., Ojwang, J., Elbaggari, A., Reyes, G. R., Tinder, R., McGrath, M. S., and Hogan, M. E. (1995) J. Biol. Chem. 270, 1754-1760; Mazumder, A., Neamati, N., Ojwang, J. O., Sunder, S., Rando, R. F., and Pommier, Y. (1996) Biochemistry 35, 13762-13771; Jing, N., and Hogan, M. E. (1998) J. Biol. Chem. 273, 34992-34999). To understand the inhibition of HIV-1 IN activity by the G-quartet inhibitors, we have designed the oligonucleotides and, composed of three and four G-quartets with stem lengths of 19 and 24 A, respectively. The fact that increasing the G-quartet stem length from 15 to 24 A kept inhibition of HIV-1 IN activity unchanged suggests that the binding interaction occurs between a GTGT loop domain of the G-quartet inhibitors and a catalytic site of HIV-1 IN, referred to as a face-to-face interaction. Docking the NMR structure of (Jing and Hogan (1998)) into the x-ray structure of the core domain of HIV-1 IN, HIV-1 IN-(51-209) (Maignan, S., Guilloteau, J.-P. , Qing, Z.-L., Clement-Mella, C., and Mikol, V. (1998) J. Mol. Biol. 282, 359-368), was performed using the GRAMM program. The statistical distributions of hydrogen bonding between HIV-1 IN and were obtained from the analyses of 1000 random docking structures. The docking results show a high probability of interaction between the GTGT loop residues of the G-quartet inhibitors and the catalytic site of HIV-1 IN, in agreement with the experimental observation.

Interactive Web Interface to the Global Strain Rate Map Project

NASA Astrophysics Data System (ADS)

Meertens, C. M.; Estey, L.; Kreemer, C.; Holt, W.

2004-05-01

An interactive web interface allows users to explore the results of a global strain rate and velocity model and to compare them to other geophysical observations. The most recent model, an updated version of Kreemer et al., 2003, has 25 independent rigid plate-like regions separated by deformable boundaries covered by about 25,000 grid areas. A least-squares fit was made to 4900 geodetic velocities from 79 different geodetic studies. In addition, Quaternary fault slip rate data are used to infer geologic strain rate estimates (currently only for central Asia). Information about the style and direction of expected strain rate is inferred from the principal axes of the seismic strain rate field. The current model, as well as source data, references and an interactive map tool, are located at the International Lithosphere Program (ILP) "A Global Strain Rate Map (ILP II-8)" project website: http://www-world-strain-map.org. The purpose of the ILP GSRM project is to provide new information from this, and other investigations, that will contribute to a better understanding of continental dynamics and to the quantification of seismic hazards. A unique aspect of the GSRM interactive Java map tool is that the user can zoom in and make custom views of the model grid and results for any area of the globe selecting strain rate and style contour plots and principal axes, observed and model velocity fields in specified frames of reference, and geologic fault data. The results can be displayed with other data sets such Harvard CMT earthquake focal mechanisms, stress directions from the ILP World Stress Map Project, and topography. With the GSRM Java map tool, the user views custom maps generated by a Generic Mapping Tool (GMT) server. These interactive capabilities greatly extend what is possible to present in a published paper. A JavaScript version, using pre-constructed maps, as well as a related information site have also been created for broader education and outreach access. The GSRM map tool will be demonstrated and latest model GSRM 1.1 results, containing important new data for Asia, Iran, western Pacific, and Southern California, will be presented.

Molecular interaction of 2,4-diacetylphloroglucinol (DAPG) with human serum albumin (HSA): The spectroscopic, calorimetric and computational investigation

NASA Astrophysics Data System (ADS)

Pragna Lakshmi, T.; Mondal, Moumita; Ramadas, Krishna; Natarajan, Sakthivel

2017-08-01

Drug molecule interaction with human serum albumin (HSA) affects the distribution and elimination of the drug. The compound, 2,4-diacetylphloroglucinol (DAPG) has been known for its antimicrobial, antiviral, antihelminthic and anticancer properties. However, its interaction with HSA is not yet reported. In this study, the interaction between HSA and DAPG was investigated through steady-state fluorescence, time-resolved fluorescence (TRF), circular dichroism (CD), Fourier transform infrared (FT-IR) spectroscopy, isothermal titration calorimetry (ITC), molecular docking and molecular dynamics simulation (MDS). Fluorescence spectroscopy results showed the strong quenching of intrinsic fluorescence of HSA due to interaction with DAPG, through dynamic quenching mechanism. The compound bound to HSA with reversible and moderate affinity which explained its easy diffusion from circulatory system to target tissue. The thermodynamic parameters from fluorescence spectroscopic data clearly revealed the contribution of hydrophobic forces but, the role of hydrogen bonds was not negligible according to the ITC studies. The interaction was exothermic and spontaneous in nature. Binding with DAPG reduced the helical content of protein suggesting the unfolding of HSA. Site marker fluorescence experiments revealed the change in binding constant of DAPG in the presence of site I (warfarin) but not site II marker (ibuprofen) which confirmed that the DAPG bound to site I. ITC experiments also supported this as site I marker could not bind to HSA-DAPG complex while site II marker was accommodated in the complex. In silico studies further showed the lowest binding affinity and more stability of DAPG in site I than in site II. Thus the data presented in this study confirms the binding of DAPG to the site I of HSA which may help in further understanding of pharmacokinetic properties of DAPG.

Involvement of two classes of binding sites in the interactions of cyclophilin B with peripheral blood T-lymphocytes.

PubMed

Denys, A; Allain, F; Carpentier, M; Spik, G

1998-12-15

Cyclophilin B (CyPB) is a cyclosporin A (CsA)-binding protein, mainly associated with the secretory pathway, and is released in biological fluids. We recently reported that CyPB specifically binds to T-lymphocytes and promotes enhanced incorporation of CsA. The interactions with cellular binding sites involved, at least in part, the specific N-terminal extension of the protein. In this study, we intended to specify further the nature of the CyPB-binding sites on peripheral blood T-lymphocytes. We first provide evidence that the CyPB binding to heparin-Sepharose is prevented by soluble sulphated glycosaminoglycans (GAG), raising the interesting possibility that such interactions may occur on the T-cell surface. We then characterized CyPB binding to T-cell surface GAG and found that these interactions involved the N-terminal extension of CyPB, but not its conserved CsA-binding domain. In addition, we determined the presence of a second CyPB binding site, which we termed a type I site, in contrast with type II for GAG interactions. The two binding sites exhibit a similar affinity but the expression of the type I site was 3-fold lower. The conclusion that CyPB binding to the type I site is distinct from the interactions with GAG was based on the findings that it was (1) resistant to NaCl wash and GAG-degrading enzyme treatments, (2) reduced in the presence of CsA or cyclophilin C, and (3) unmodified in the presence of either the N-terminal peptide of CyPB or protamine. Finally, we showed that the type I binding sites were involved in an endocytosis process, supporting the hypothesis that they may correspond to a functional receptor for CyPB.

The Librarian's Internet Survival Guide: Strategies for the High-Tech Reference Desk.

ERIC Educational Resources Information Center

McDermott, Irene E.; Quint, Barbara, Ed.

This guide discusses the use of the World Wide Web for library reference service. Part 1, "Ready Reference on the Web: Resources for Patrons," contains chapters on searching and meta-searching the Internet, using the Web to find people, news on the Internet, quality reference resources on the Web, Internet sites for kids, free full-text…

Building Bridges for Collaborative Digital Reference between Libraries and Museums through an Examination of Reference in Special Collections

ERIC Educational Resources Information Center

Lavender, Kenneth; Nicholson, Scott; Pomerantz, Jeffrey

2005-01-01

While a growing number of the digital reference services in libraries have become part of collaborative reference networks, other entities that serve similar information-seeking needs such as special collections and museums have not joined these networks, even though they are answering an increasing number of questions from off-site patrons via…

Concentrations of selected metals in Quaternary-age fluvial deposits along the lower Cheyenne and middle Belle Fourche Rivers, western South Dakota, 2009-10

USGS Publications Warehouse

Stamm, John F.; Hoogestraat, Galen K.

2012-01-01

The headwaters of the Cheyenne and Belle Fourche Rivers drain the Black Hills of South Dakota and Wyoming, an area that has been affected by mining and ore-milling operations since the discovery of gold in 1875. A tributary to the Belle Fourche River is Whitewood Creek, which drains the area of the Homestake Mine, a gold mine that operated from 1876 to 2001. Tailings discharged into Whitewood Creek contained arsenopyrite, an arsenic-rich variety of pyrite associated with gold ore, and mercury used as an amalgam during the gold-extraction process. Approximately 18 percent of the tailings that were discharged remain in fluvial deposits on the flood plain along Whitewood Creek, and approximately 25 percent remain in fluvial deposits on the flood plain along the Belle Fourche River, downstream from Whitewood Creek. In 1983, a 29-kilometer (18-mile) reach of Whitewood Creek and the adjacent flood plain was included in the U.S. Environmental Protection Agency's National Priority List of the Comprehensive Environmental Response, Compensation, and Liability Act of 1980, commonly referred to as a "Superfund site." Listing of this reach of Whitewood Creek was primarily in response to arsenic toxicity of fluvial deposits on the flood plain. Lands along the lower Cheyenne River were transferred to adjoining States and Tribes in response to the Water Resources Development Act (WRDA) of 1999. An amendment in 2000 to WRDA required a study of sediment contamination of the Cheyenne River. In response to the WRDA amendment, the U.S. Geological Survey completed field sampling of reference sites (not affected by mine-tailing disposal) along the lower Belle Fourche and lower Cheyenne Rivers. Reference sites were located on stream terraces that were elevated well above historical stream stages to ensure no contamination from historical mining activity. Sampling of potentially contaminated sites was performed on transects of the active flood plain and adjacent terraces that could potentially be inundated during high-flow events. Sampling began in 2009 and was completed in 2010. A total of 74 geochemical samples were collected from fluvial deposits at reference sites, and 473 samples were collected from potentially contaminated sites. Sediment samples collected were analyzed for 23 metals, including arsenic and mercury. Sequential replicate, split duplicate, and field quality-control samples were analyzed for quality assurance of data-collection methods. The metal concentrations in sediment samples and location information are presented in this report in electronic format (Microsoft Excel), along with non-parametric summary statistics of those data. Cross-sectional topography is graphed with arsenic and mercury concentrations on transects at the potentially contaminated sites. The mean arsenic concentration in reference sediment samples was 8 milligrams per kilogram (mg/kg), compared to 250, 650, and 76 mg/kg for potentially contaminated sediment samples at the surface of the middle Belle Fourche River site, the subsurface of the middle Belle Fourche River site, and the surface of the lower Cheyenne River site, respectively. The mean mercury concentration in reference sediment samples was 16 micrograms per kilogram (μg/kg), compared to 130, 370, and 71 μg/kg for potentially contaminated sediment samples at the surface of the middle Belle Fourche River site, the subsurface of the middle Belle Fourche River site, and the surface of the lower Cheyenne River site, respectively.

Design Considerations for Siting Grade Control Structures

DTIC Science & Technology

2001-12-01

require consideration before siting grade control structures. In the widest sense, the term grade control can be applied to any alteration in the...control structures. There are two basic types of grade control structures. One type can be referred to as a bed control structure as it is designed to...provide a hard point in the streambed that is capable of resisting the erosive forces of the degradational zone. The second type can be referred to

Soil-Site Classification for Bottomland Hardwoods

Treesearch

John K. Francis

1984-01-01

Foresters have always needed a means of predicting tree growth. Of the many indexes of potential growth, site index is the most widely used. Site index may be defined as the height of dominant trees in a stand at a reference age (usually 50 years). Site index is, in theory, a true reflection of growth potential of the site because height growth is generally unaffected...

Site characterization report for the basalt waste isolation project. Volume II

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

1982-11-01

The reference location for a repository in basalt for the terminal storage of nuclear wastes on the Hanford Site and the candidate horizons within this reference repository location have been identified and the preliminary characterization work in support of the site screening process has been completed. Fifteen technical questions regarding the qualification of the site were identified to be addressed during the detailed site characterization phase of the US Department of Energy-National Waste Terminal Storage Program site selection process. Resolution of these questions will be provided in the final site characterization progress report, currently planned to be issued in 1987,more » and in the safety analysis report to be submitted with the License Application. The additional information needed to resolve these questions and the plans for obtaining the information have been identified. This Site Characterization Report documents the results of the site screening process, the preliminary site characterization data, the technical issues that need to be addressed, and the plans for resolving these issues. Volume 2 contains chapters 6 through 12: geochemistry; surface hydrology; climatology, meteorology, and air quality; environmental, land-use, and socioeconomic characteristics; repository design; waste package; and performance assessment.« less

Smooth Muscle Cell Genome Browser: Enabling the Identification of Novel Serum Response Factor Target Genes

PubMed Central

Lee, Moon Young; Park, Chanjae; Berent, Robyn M.; Park, Paul J.; Fuchs, Robert; Syn, Hannah; Chin, Albert; Townsend, Jared; Benson, Craig C.; Redelman, Doug; Shen, Tsai-wei; Park, Jong Kun; Miano, Joseph M.; Sanders, Kenton M.; Ro, Seungil

2015-01-01

Genome-scale expression data on the absolute numbers of gene isoforms offers essential clues in cellular functions and biological processes. Smooth muscle cells (SMCs) perform a unique contractile function through expression of specific genes controlled by serum response factor (SRF), a transcription factor that binds to DNA sites known as the CArG boxes. To identify SRF-regulated genes specifically expressed in SMCs, we isolated SMC populations from mouse small intestine and colon, obtained their transcriptomes, and constructed an interactive SMC genome and CArGome browser. To our knowledge, this is the first online resource that provides a comprehensive library of all genetic transcripts expressed in primary SMCs. The browser also serves as the first genome-wide map of SRF binding sites. The browser analysis revealed novel SMC-specific transcriptional variants and SRF target genes, which provided new and unique insights into the cellular and biological functions of the cells in gastrointestinal (GI) physiology. The SRF target genes in SMCs, which were discovered in silico, were confirmed by proteomic analysis of SMC-specific Srf knockout mice. Our genome browser offers a new perspective into the alternative expression of genes in the context of SRF binding sites in SMCs and provides a valuable reference for future functional studies. PMID:26241044

Multi-trace element levels and arsenic speciation in urine of e-waste recycling workers from Agbogbloshie, Accra in Ghana.

PubMed

Asante, Kwadwo Ansong; Agusa, Tetsuro; Biney, Charles Augustus; Agyekum, William Atuobi; Bello, Mohammed; Otsuka, Masanari; Itai, Takaaki; Takahashi, Shin; Tanabe, Shinsuke

2012-05-01

To understand human contamination by multi-trace elements (TEs) in electrical and electronic waste (e-waste) recycling site at Agbogbloshie, Accra in Ghana, this study analyzed TEs and As speciation in urine of e-waste recycling workers. Concentrations of Fe, Sb, and Pb in urine of e-waste recycling workers were significantly higher than those of reference sites after consideration of interaction by age, indicating that the recycling workers are exposed to these TEs through the recycling activity. Urinary As concentration was relatively high, although the level in drinking water was quite low. Speciation analysis of As in human urine revealed that arsenobetaine and dimethylarsinic acid were the predominant As species and concentrations of both species were positively correlated with total As concentration as well as between each other. These results suggest that such compounds may be derived from the same source, probably fish and shellfish and greatly influence As exposure levels. To our knowledge, this is the first study on human contamination resulting from the primitive recycling of e-waste in Ghana. This study will contribute to the knowledge about human exposure to trace elements from an e-waste site in a less industrialized region so far scantly covered in the literature. Copyright © 2012 Elsevier B.V. All rights reserved.

76 FR 64943 - Proposed Cercla Administrative Cost Recovery Settlement; ACM Smelter and Refinery Site, Located...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-19

... Settlement; ACM Smelter and Refinery Site, Located in Cascade County, MT AGENCY: Environmental Protection... projected future response costs concerning the ACM Smelter and Refinery NPL Site (Site), Operable Unit 1..., Helena, MT 59626. Mr. Sturn can be reached at (406) 457-5027. Comments should reference the ACM Smelter...

Incidence and impact of axial malformations in larval bullfrogs (Rana catesbeiana) developing in sites polluted by a coal-burning power plant

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hopkins, W.A.; Congdon, J.; Ray, J.K.

2000-04-01

Amphibian malformations have recently received much attention from the scientific community, but few studies have provided evidence linking environmental pollution to larval amphibian malformations in the field. The authors document an increased incidence of axial malformations in bullfrog larvae (Rana catesbeiana) inhabiting two sites contaminated with coal combustion wastes. In the polluted sites, 18 and 37% of larvae exhibited lateral curvatures of the spine, whereas zero and 4% of larvae from two reference sites had similar malformations. Larvae from the most heavily polluted site had significantly higher tissue concentrations of potentially toxic trace elements, including As, Cd, Se, Cu, Cr,more » and V, compared with conspecifics from the reference sites. In addition, malformed larvae from the cost contaminated site had decreased swimming speeds compared with those of normal larvae from the same site. The authors hypothesize that the complex mixture of contaminants produced by coal combustion is responsible for the high incidence of malformations and associated effects on swimming performance.« less

The impacts of speed cameras on road accidents: an application of propensity score matching methods.

PubMed

Li, Haojie; Graham, Daniel J; Majumdar, Arnab

2013-11-01

This paper aims to evaluate the impacts of speed limit enforcement cameras on reducing road accidents in the UK by accounting for both confounding factors and the selection of proper reference groups. The propensity score matching (PSM) method is employed to do this. A naïve before and after approach and the empirical Bayes (EB) method are compared with the PSM method. A total of 771 sites and 4787 sites for the treatment and the potential reference groups respectively are observed for a period of 9 years in England. Both the PSM and the EB methods show similar results that there are significant reductions in the number of accidents of all severities at speed camera sites. It is suggested that the propensity score can be used as the criteria for selecting the reference group in before-after control studies. Speed cameras were found to be most effective in reducing accidents up to 200 meters from camera sites and no evidence of accident migration was found. Copyright © 2013 Elsevier Ltd. All rights reserved.

Flow cytometric analysis of red-eared slider turtles (Trachemys scripta) from Tar Creek Superfund Site.

PubMed

Hays, Kimberly A; McBee, Karen

2007-05-01

Tar Creek Superfund Site (TCSFS) was heavily mined from the 1890s to 1970 and currently is contaminated with lead, zinc, and cadmium. Flow cytometry (FCM) was used to measure variation in nuclear DNA content of red blood cells collected from Trachemys scripta living within TCSFS and reference sites, Lake Carl Blackwell (LCB) and Sequoyah National Wildlife Refuge (SNWR). We also used atomic absorption spectrometry to measure Pb in blood and carapace and Cd in blood samples of turtles from TCSFS and SNWR. Mean coefficients of variation around the G(1) peak ranged from 5.33 to 5.48 and showed no significant difference between contaminated and reference populations; however, there was a significantly higher frequency of aneuploidy at TCSFS when compared with both reference populations. Blood Pb levels were not significantly different between TCSFS and SNWR populations. Pb levels in carapace samples did not differ significantly between sites; however, Pb levels were higher in carapace than blood for both populations. Blood Cd was significantly higher in animals at TCSFS than SNWR.

Reptile assemblage response to restoration of fire-suppressed longleaf pine sandhills.

PubMed

Steen, David A; Smith, Lora L; Conner, L M; Litt, Andrea R; Provencher, Louis; Hiers, J Kevin; Pokswinski, Scott; Guyer, Craig

2013-01-01

Measuring the effects of ecological restoration on wildlife assemblages requires study on broad temporal and spatial scales. Longleaf pine (Pinus palustris) forests are imperiled due to fire suppression and subsequent invasion by hardwood trees. We employed a landscape-scale, randomized-block design to identify how reptile assemblages initially responded to restoration treatments including removal of hardwood trees via mechanical methods (felling and girdling), application of herbicides, or prescribed burning alone. Then, we examined reptile assemblages after all sites experienced more than a decade of prescribed burning at two- to thee-year return intervals. Data were collected concurrently at reference sites chosen to represent target conditions for restoration. Reptile assemblages changed most rapidly in response to prescribed burning, but reptile assemblages at all sites, including reference sites, were generally indistinguishable by the end of the study. Thus, we suggest that prescribed burning in longleaf pine forests over long time periods is an effective strategy for restoring reptile assemblages to the reference condition. Application of herbicides or mechanical removal of hardwood trees provided no apparent benefit to reptiles beyond what was achieved by prescribed fire alone.

Deconstructing thermodynamic parameters of a coupled system from site-specific observables.

PubMed

Chowdhury, Sandipan; Chanda, Baron

2010-11-02

Cooperative interactions mediate information transfer between structural domains of a protein molecule and are major determinants of protein function and modulation. The prevalent theories to understand the thermodynamic origins of cooperativity have been developed to reproduce the complex behavior of a global thermodynamic observable such as ligand binding or enzyme activity. However, in most cases the measurement of a single global observable cannot uniquely define all the terms that fully describe the energetics of the system. Here we establish a theoretical groundwork for analyzing protein thermodynamics using site-specific information. Our treatment involves extracting a site-specific parameter (defined as χ value) associated with a structural unit. We demonstrate that, under limiting conditions, the χ value is related to the direct interaction terms associated with the structural unit under observation and its intrinsic activation energy. We also introduce a site-specific interaction energy term (χ(diff)) that is a function of the direct interaction energy of that site with every other site in the system. When combined with site-directed mutagenesis and other molecular level perturbations, analyses of χ values of site-specific observables may provide valuable insights into protein thermodynamics and structure.

Librarians without Borders? Virtual Reference Service to Unaffiliated Users

ERIC Educational Resources Information Center

Kibbee, Jo

2006-01-01

The author investigates issues faced by academic research libraries in providing virtual reference services to unaffiliated users. These libraries generally welcome visitors who use on-site collections and reference services, but are these altruistic policies feasible in a virtual environment? This paper reviews the use of virtual reference…

Reproduction, embryonic development, and maternal transfer of contaminants in the amphibian Gastrophryne carolinensis.

PubMed

Hopkins, William Alexander; DuRant, Sarah Elizabeth; Staub, Brandon Patrick; Rowe, Christopher Lee; Jackson, Brian Phillip

2006-05-01

Although many amphibian populations around the world are declining at alarming rates, the cause of most declines remains unknown. Environmental contamination is one of several factors implicated in declines and may have particularly important effects on sensitive developmental stages. Despite the severe effects of maternal transfer of contaminants on early development in other vertebrate lineages, no studies have examined the effects of maternal transfer of contaminants on reproduction or development in amphibians. We examined maternal transfer of contaminants in eastern narrow-mouth toads (Gastrophryne carolinensis) collected from a reference site and near a coal-burning power plant. Adult toads inhabiting the industrial area transferred significant quantities of selenium and strontium to their eggs, but Se concentrations were most notable (up to 100 microg/g dry mass). Compared with the reference site, hatching success was reduced by 11% in clutches from the contaminated site. In surviving larvae, the frequency of developmental abnormalities and abnormal swimming was 55-58% higher in the contaminated site relative to the reference site. Craniofacial abnormalities were nearly an order of magnitude more prevalent in hatchlings from the contaminated site. When all developmental criteria were considered collectively, offspring from the contaminated site experienced 19% lower viability. Although there was no statistical relationship between the concentration of Se or Sr transferred to eggs and any measure of offspring viability, our study demonstrates that maternal transfer may be an important route of contaminant exposure in amphibians that has been overlooked.

Reproduction, Embryonic Development, and Maternal Transfer of Contaminants in the Amphibian Gastrophryne carolinensis

PubMed Central

Hopkins, William Alexander; DuRant, Sarah Elizabeth; Staub, Brandon Patrick; Rowe, Christopher Lee; Jackson, Brian Phillip

2006-01-01

Although many amphibian populations around the world are declining at alarming rates, the cause of most declines remains unknown. Environmental contamination is one of several factors implicated in declines and may have particularly important effects on sensitive developmental stages. Despite the severe effects of maternal transfer of contaminants on early development in other vertebrate lineages, no studies have examined the effects of maternal transfer of contaminants on reproduction or development in amphibians. We examined maternal transfer of contaminants in eastern narrow-mouth toads (Gastrophryne carolinensis) collected from a reference site and near a coal-burning power plant. Adult toads inhabiting the industrial area transferred significant quantities of selenium and strontium to their eggs, but Se concentrations were most notable (up to 100 μg/g dry mass). Compared with the reference site, hatching success was reduced by 11% in clutches from the contaminated site. In surviving larvae, the frequency of developmental abnormalities and abnormal swimming was 55–58% higher in the contaminated site relative to the reference site. Craniofacial abnormalities were nearly an order of magnitude more prevalent in hatchlings from the contaminated site. When all developmental criteria were considered collectively, offspring from the contaminated site experienced 19% lower viability. Although there was no statistical relationship between the concentration of Se or Sr transferred to eggs and any measure of offspring viability, our study demonstrates that maternal transfer may be an important route of contaminant exposure in amphibians that has been overlooked. PMID:16675417

Trends in detoxification enzymes and heavy metal accumulation in ground beetles (Coleoptera: Carabidae) inhabiting a gradient of pollution.

PubMed

Stone, David; Jepson, Paul; Laskowski, Ryszard

2002-05-01

Non-specfic carboxylesterase and glutathione S-transferase activity was measured in the ground beetle, Pterosthicus oblongopunctatus (Coleoptera: Carabidae), from five sites along a gradient of heavy metal pollution. A previous study determined that beetles from the two most polluted sites (site codes OLK2 and OLK3) were more susceptible to additional stressors compared with beetles from the reference site (Stone et al., Environ. Pollut. 113, 239-244 2001), suggesting the possibility of physiological impairment. Metal body burdens in ground beetles from five sites along the gradient ranged from 79 to 201 microg/g Zn, 0.174 to 8.66 microg/g Pb and 1.14 to 10.8 microg/g Cd, whereas Cu seemed to be efficiently regulated regardless of metal levels in the soil. Beetle mid- and hindguts were homogenized and the soluble fraction containing glutathione S-transferase (GST) and carboxylesterase (CaE) was assayed using kinetic analyses. Significantly higher levels of GST were found only in female beetles from the most polluted sites (OLK2 and OLK3; P=0.049, P<0.001, respectively) compared with the reference site (OLK7). In addition, OLK3 females had significantly higher levels of CaE compared with the reference beetles (P=0.01). Male beetles did not differ in enzyme activity along the metal gradient. Overall, obvious trends in detoxification enzymes were not detected in ground beetles in association with metal body burdens.

Functional integrity of the interrenal tissue of yellow perch from contaminated sites tested in vivo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Girard, C.; Brodeur, J.C.; Hontela, A.

1995-12-31

The normal activation of the hypothalamo-pituitary-interrenal axis (HPI axis) in response to capture is disrupted in fish subjected to life-long exposure to heavy metals, PCBs and PAHs. The ability to increase plasma cortisol in yellow perch (Perca flavescens) from sites contaminated by heavy metals and organic compounds, and from a reference site was assessed by the Capture stress test and by the ACTH Challenge test, a new standardized in vivo method designed for field studies. The effects of seasonal factors, such as temperature and gonadal maturity on these tests were investigated. Measures of liver and muscle glycogen and histopathology weremore » made to further characterize the biochemical and structural changes that may occur along with hormonal changes. The Capture stress test showed that an acute source of stress induced a lower cortisol response in fish from the highly contaminated site compared to the reference site, revealing a functional impairment of the HPI axis. The ACTH Challenge test showed that the hormonal responsiveness of the cortisol-secreting interrenal tissue, stimulated by a standard dose of ACTH injected i.p., was lower in fish from the highly contaminated site than the reference site. Spring is the season during which the impairment was the most evident. The possibility of using the reduced capacity of feral fish to respond to a standardized ACTH Challenge as an early bioindicator of toxic stress is discussed.« less

Detritus Quality Controls Macrophyte Decomposition under Different Nutrient Concentrations in a Eutrophic Shallow Lake, North China

PubMed Central

Li, Xia; Cui, Baoshan; Yang, Qichun; Tian, Hanqin; Lan, Yan; Wang, Tingting; Han, Zhen

2012-01-01

Macrophyte decomposition is important for carbon and nutrient cycling in lake ecosystems. Currently, little is known about how this process responds to detritus quality and water nutrient conditions in eutrophic shallow lakes in which incomplete decomposition of detritus accelerates the lake terrestrialization process. In this study, we investigated the effects of detritus quality and water nutrient concentrations on macrophyte decomposition in Lake Baiyangdian, China, by analyzing the decomposition of three major aquatic plants at three sites with different pollution intensities (low, medium, and high pollution sites). Detritus quality refers to detritus nutrient contents as well as C∶N, C∶P, and N∶P mass ratios in this study. Effects of detritus mixtures were tested by combining pairs of representative macrophytes at ratios of 75∶25, 50∶50 and 25∶75 (mass basis). The results indicate that the influence of species types on decomposition was stronger than that of site conditions. Correlation analysis showed that mass losses at the end of the experimental period were significantly controlled by initial detritus chemistry, especially by the initial phosphorus (P) content, carbon to nitrogen (C∶N), and carbon to phosphorus (C∶P) mass ratios in the detritus. The decomposition processes were also influenced by water chemistry. The NO3-N and NH4-N concentrations in the lake water retarded detritus mass loss at the low and high pollution sites, respectively. Net P mineralization in detritus was observed at all sites and detritus P release at the high pollution site was slower than at the other two sites. Nonadditive effects of mixtures tended to be species specific due to the different nutrient contents in each species. Results suggest that the nonadditive effects varied significantly among different sites, indicating that interactions between the detritus quality in species mixtures and site water chemistry may be another driver controlling decomposition in eutrophic shallow lakes. PMID:22848699

ESEEM of industrial quartz powders: insights into crystal chemistry of Al defects

NASA Astrophysics Data System (ADS)

Romanelli, Maurizio; Di Benedetto, Francesco; Bartali, Laura; Innocenti, Massimo; Fornaciai, Gabriele; Montegrossi, Giordano; Pardi, Luca A.; Zoleo, Alfonso; Capacci, Fabio

2012-06-01

A set of raw industrial materials, that is, pure quartz and quartz-rich mixtures, were investigated through electron paramagnetic resonance and electron spin echo-envelope modulation spectroscopies, with the aim of evaluating the effective role played by defect centres and of assessing whether they can be used to monitor changes in the physical properties of quartz powders with reference to their health effects. The obtained results point to two interactions of the Al defect centres with H+, hosted in sites within the channels parallel and perpendicular to the c axis of quartz, respectively. These two Al/H+ (hAl) centres exhibit a weak chemical bond, and their relative amounts appear to be modified/controlled by the thermo-mechanical processes underwent by powders. Indeed, a mechanically promoted inter-conversion between the two kinds of site is suggested. As a consequence, the hAl centres are effective in monitoring even modest activations of powders, through thermal or mechanical processes, and they are also supposed to play a specific, relevant role in quartz reactivity during the considered industrial processes.

Prediction of Water Binding to Protein Hydration Sites with a Discrete, Semiexplicit Solvent Model.

PubMed

Setny, Piotr

2015-12-08

Buried water molecules are ubiquitous in protein structures and are found at the interface of most protein-ligand complexes. Determining their distribution and thermodynamic effect is a challenging yet important task, of great of practical value for the modeling of biomolecular structures and their interactions. In this study, we present a novel method aimed at the prediction of buried water molecules in protein structures and estimation of their binding free energies. It is based on a semiexplicit, discrete solvation model, which we previously introduced in the context of small molecule hydration. The method is applicable to all macromolecular structures described by a standard all-atom force field, and predicts complete solvent distribution within a single run with modest computational cost. We demonstrate that it indicates positions of buried hydration sites, including those filled by more than one water molecule, and accurately differentiates them from sterically accessible to water but void regions. The obtained estimates of water binding free energies are in fair agreement with reference results determined with the double decoupling method.

CASPASE-9 CARD:CORE DOMAIN INTERACTIONS REQUIRE A PROPERLY-FORMED ACTIVE SITE

PubMed Central

Huber, Kristen L.; Serrano, Banyuhay P.; Hardy, Jeanne A.

2018-01-01

Caspase-9 is a critical factor in the initiation of apoptosis, and as a result is tightly regulated by a number of mechanisms. Caspase-9 contains a Caspase Activation and Recruitment Domain (CARD), which enables caspase-9 to form a tight interaction with the apoptosome, a heptameric activating platform. The caspase-9 CARD has been thought to be principally involved in recruitment to the apoptosome, but its roles outside this interaction have yet to be uncovered. In this work we show that the CARD is involved in physical interactions with the catalytic core of caspase-9 in the absence of the apoptosome; this interaction requires a properly formed caspase-9 active site. The active sites of caspases are composed of four extremely mobile loops. When the active-site loops are not properly ordered, the CARD and core domains of caspase-9 do not interact and behave independently, like loosely tethered beads. When the active-site loop bundle is properly ordered, the CARD domain interacts with the catalytic core, forming a single folding unit. Together these findings provide mechanistic insight into a new level of caspase-9 regulation, prompting speculation that the CARD may also play a role in the recruitment or recognition of substrate. PMID:29500231

Selecting Performance Reference Compounds (PRCS)for Polyethylene Passive Samplers Deployed at Contaminated Sediment Sites

EPA Science Inventory

Use of equilibrium passive samplers for performing aquatic environmental monitoring at contaminated sediment sites, including Superfund sites, is becoming more common. However, a current challenge in passive sampling is determining when equilibrium is achieved between the sampl...

Environmental assessment: Reference repository location, Hanford site, Washington

DOE Office of Scientific and Technical Information (OSTI.GOV)

none,

1986-05-01

In February 1983, the US Department of Energy (DOE) identified a reference repository location at the Hanford Site in Washington as one of the nine potentially acceptable sites for a mined geologic repository for spent nuclear fuel and high-level radioactive waste. The site is in the Columbia Plateau, which is one of five distinct geohydrologic settings considered for the first repository. To determine their suitability, the Hanford Site and the eight other potentially acceptable sites have been evaluated in accordance with the DOE's General Guidelines for the Recommendation of Sites for the Nuclear Waste Repositories. These evaluations were reported inmore » draft environmental assessments (EAs), which were issued for public review and comment. After considering the comments received on the draft EAs, the DOE prepared the final EAs. On the basis of the evaluations reported in this EA, the DOE has found that the Hanford site is not disqualified under the guidelines. The DOE has also found that it is suitable for site characterization because the evidence does not support a conclusion that the site will not be able to meet each of the qualifying conditions specified in the guidelines. On the basis of these findings, the DOE is nominating the Hanford site as one of five sites suitable for characterization.« less

Individual and cumulative effects of agriculture, forestry and metal mining activities on the metal and phosphorus content of fluvial fine-grained sediment; Quesnel River Basin, British Columbia, Canada.

PubMed

Smith, Tyler B; Owens, Philip N

2014-10-15

The impact of agriculture, forestry and metal mining on the quality of fine-grained sediment (<63 μm) was investigated in the Quesnel River Basin (QRB) (~11,500 km(2)) in British Columbia, Canada. Samples of fine-grained sediment were collected monthly during the snow-free season in 2008 using time-integrated samplers at replicate sites representative of agriculture, forestry and mining activities in the basin (i.e. "impacted" sites). Samples were also collected from replicate reference sites and also from the main stem of the Quesnel River at the downstream confluence with the Fraser River. Generally, metal(loid) and phosphorus (P) concentrations for "impacted" sites were greater than for reference sites. Furthermore, concentrations of copper (forestry and mining sites), manganese (agriculture and forestry sites) and selenium (agriculture, forestry and mining sites) exceeded upper sediment quality guideline (SQG) thresholds. These results suggest that agriculture, forestry and metal mining activities are having an influence on the concentrations of sediment-associated metal(loid)s and P in the Quesnel basin. Metal(loid) and P concentrations of sediment collected from the downstream site were not significantly greater than values for the reference sites, and were typically lower than the values for the impacted sites. This suggests that the cumulative effects of agriculture, forestry and mining activities in the QRB are presently not having a measureable effect at the river basin-scale. The lack of a cumulative effect at the basin-scale is thought to reflect: (i) the relatively recent occurrence of land use disturbances in this basin; (ii) the dominance of sediment contributions from natural forest and agriculture; and (iii) the potential for storage of contaminants on floodplains and other storage elements between the locations of disturbance activities and the downstream sampling site, which may be attenuating the disturbance signal. Copyright © 2014 Elsevier B.V. All rights reserved.

Design tradeoffs for trend assessment in aquatic biological monitoring programs

USGS Publications Warehouse

Gurtz, Martin E.; Van Sickle, John; Carlisle, Daren M.; Paulsen, Steven G.

2013-01-01

Assessments of long-term (multiyear) temporal trends in biological monitoring programs are generally undertaken without an adequate understanding of the temporal variability of biological communities. When the sources and levels of variability are unknown, managers cannot make informed choices in sampling design to achieve monitoring goals in a cost-effective manner. We evaluated different trend sampling designs by estimating components of both short- and long-term variability in biological indicators of water quality in streams. Invertebrate samples were collected from 32 sites—9 urban, 6 agricultural, and 17 relatively undisturbed (reference) streams—distributed throughout the United States. Between 5 and 12 yearly samples were collected at each site during the period 1993–2008, plus 2 samples within a 10-week index period during either 2007 or 2008. These data allowed calculation of four sources of variance for invertebrate indicators: among sites, among years within sites, interaction among sites and years (site-specific annual variation), and among samples collected within an index period at a site (residual). When estimates of these variance components are known, changes to sampling design can be made to improve trend detection. Design modifications that result in the ability to detect the smallest trend with the fewest samples are, from most to least effective: (1) increasing the number of years in the sampling period (duration of the monitoring program), (2) decreasing the interval between samples, and (3) increasing the number of repeat-visit samples per year (within an index period). This order of improvement in trend detection, which achieves the greatest gain for the fewest samples, is the same whether trends are assessed at an individual site or an average trend of multiple sites. In multiple-site surveys, increasing the number of sites has an effect similar to that of decreasing the sampling interval; the benefit of adding sites is greater when a new set of different sites is selected for each sampling effort than when the same sites are sampled each time. Understanding variance components of the ecological attributes of interest can lead to more cost-effective monitoring designs to detect trends.

The robot and the satellite for tele-operating echographic examination in Earth isolated sites, or onboard ISS.

PubMed

Arbeille, Ph; Ruiz, J; Ayoub, J; Vieyres, P; Porcher, M; Boulay, J; Moreau, V; Poisson, G

2004-07-01

The objective was to design and validate a method for tele-operating (from an expert site) an echographic examination in an isolated site. The isolated places, defined as areas with reduced medical facilities, could be secondary hospitals 20 to 50 km from the university hospital, or dispensaries in Africa or Amazonia, or a moving structure like a rescue vehicle or the International Space Station (ISS). At the expert center, the ultrasound medical expert moves a fictive probe, connected to a computer (n degrees 1) which sends, the coordinate changes of this probe via an ISDN or satellite line to a second computer (n degrees 2), located at the isolated site, which applies them to the robotic arm holding the real echographic probe. The system was tested at Tours Hospital on 105 patients. A complete investigation (visualization) of all the organs requested for different clinical cases was obtained in 76% of the cases with the robot, and 87% at the reference echography: In 11% of the cases, at least one of the organ visualized at reference echo could not be investigated by the robot, thus the diagnostic was not done. The number of repositioning was higher for the robot (6.5 +/- 2) than for the reference echo (5.1 +/- 2 = or > 24% more with robot). The duration of the examination was higher with the robot (16 +/- 10 min) than for the reference echography (11 +/- 4 min = or > +43% with the robot compare to reference echography. The system was also tested successfully using satellite links in a limited number of cases (approx 30).

Dynamic ion-ion and water-ion interactions in ion channels.

PubMed Central

Wu, J V

1992-01-01

The dynamic interactions among ions and water molecules in ion channels are treated based on an assumption that ions at binding sites can be knocked off by both transient entering ions and local water molecules. The theory, when applied to a single-site model K+ channel, provides solutions for super- and subsaturations, flux-ratio exponent (n') greater than 1, osmotic streaming current, activity-dependent reversal potentials, and anomalous mole-fraction behavior. The analysis predicts that: (a) the saturation may but, in general, does not follow the Michaelis-Menten relation; (b) streaming current results from imbalanced water-ion knock-off interactions; (c) n' greater than 1 even for single-site channels, but it is unlikely to exceed 1.4 unless the pore is occupied by one or more ion(s); (d) in the calculation involving two permeant ion species with similar radii, the heavier ions show higher affinity; the ion-ion knock-off dissociation from the site is more effective when two interacting ions are identical. Therefore, the "multi-ion behaviors" found in most ion channels are the consequences of dynamic ion-ion and water-ion interactions. The presence of these interactions does not require two or more binding sites in channels. PMID:1376158

Overcoming communication challenges in integrative supportive cancer care: The integrative physician, the psycho-oncologist, and the patient.

PubMed

Ben-Arye, Eran; Shavit, Efrat; Wiental, Haya; Schiff, Elad; Agour, Olga; Samuels, Noah

2016-12-01

Complementary/integrative medicine (CIM) services are increasingly being integrated into conventional supportive cancer care, presenting a number of challenges to communication between healthcare professionals (HCPs). The purpose of the present study was to explore the impact of the communication between integrative physicians (IPs) trained in CIM and social workers (SWs) working as psycho-oncologists in the same oncology setting. We examine whether IP-SW communication correlates with the number of patient-SW sessions, as provided within the oncology department. SW-IP communication, defined as a summary of the IP consultation sent to the patient's SW, was compared to SW-patient communication, defined as the number of psycho-oncology treatment sessions. Of 344 patients referred by their oncology HCP for IP consultation, 91 were referred by an SW and 253 by an oncologist or nurse. IP-to-SW summaries were provided for 150 patients referred by a non-SW HCP (43.6%), and for 91 of SW-referred patients (26.5%). In all, 32 patients referred to the IP had no psycho-oncology interaction with an SW; 58 only one meeting; and 254 with ≥2 interactions, with 119 having >6 sessions. SW-patient interactions were greater with higher rates of IP-SW communication, for both patients referred by an SW (79.1%) and those referred by a non-SW HCP (77.3%) when compared to patients for whom no summary was provided (64.1%; p= 0.02). A greater level of IP-SW communication, measured by the provision of an IP summary to the patient's SW, was found to correlate with a higher rate of SW-patient interactions. The use of a structured two-way referral-summary between IPs and SWs has the potential to advance the SW-patient psycho-oncology interaction, within an integrative supportive cancer care setting. Copyright © 2016 Elsevier Ltd. All rights reserved.

Effective stochastic generator with site-dependent interactions

NASA Astrophysics Data System (ADS)

Khamehchi, Masoumeh; Jafarpour, Farhad H.

2017-11-01

It is known that the stochastic generators of effective processes associated with the unconditioned dynamics of rare events might consist of non-local interactions; however, it can be shown that there are special cases for which these generators can include local interactions. In this paper, we investigate this possibility by considering systems of classical particles moving on a one-dimensional lattice with open boundaries. The particles might have hard-core interactions similar to the particles in an exclusion process, or there can be many arbitrary particles at a single site in a zero-range process. Assuming that the interactions in the original process are local and site-independent, we will show that under certain constraints on the microscopic reaction rules, the stochastic generator of an unconditioned process can be local but site-dependent. As two examples, the asymmetric zero-temperature Glauber model and the A-model with diffusion are presented and studied under the above-mentioned constraints.

An alternative approach to characterize nonlinear site effects

USGS Publications Warehouse

Zhang, R.R.; Hartzell, S.; Liang, J.; Hu, Y.

2005-01-01

This paper examines the rationale of a method of nonstationary processing and analysis, referred to as the Hilbert-Huang transform (HHT), for its application to a recording-based approach in quantifying influences of soil nonlinearity in site response. In particular, this paper first summarizes symptoms of soil nonlinearity shown in earthquake recordings, reviews the Fourier-based approach to characterizing nonlinearity, and offers justifications for the HHT in addressing nonlinearity issues. This study then uses the HHT method to analyze synthetic data and recordings from the 1964 Niigata and 2001 Nisqually earthquakes. In doing so, the HHT-based site response is defined as the ratio of marginal Hilbert amplitude spectra, alternative to the Fourier-based response that is the ratio of Fourier amplitude spectra. With the Fourier-based approach in studies of site response as a reference, this study shows that the alternative HHT-based approach is effective in characterizing soil nonlinearity and nonlinear site response.

The salience of social referents: a field experiment on collective norms and harassment behavior in a school social network.

PubMed

Paluck, Elizabeth Levy; Shepherd, Hana

2012-12-01

Persistent, widespread harassment in schools can be understood as a product of collective school norms that deem harassment, and behavior allowing harassment to escalate, as typical and even desirable. Thus, one approach to reducing harassment is to change students' perceptions of these collective norms. Theory suggests that the public behavior of highly connected and chronically salient actors in a group, called social referents, may provide influential cues for individuals' perception of collective norms. Using repeated, complete social network surveys of a public high school, we demonstrate that changing the public behavior of a randomly assigned subset of student social referents changes their peers' perceptions of school collective norms and their harassment behavior. Social referents exert their influence over peers' perceptions of collective norms through the mechanism of everyday social interaction, particularly interaction that is frequent and personally motivated, in contrast to interaction shaped by institutional channels like shared classes. These findings clarify the development of collective social norms: They depend on certain patterns of and motivations for social interactions within groups across time, and are not static but constantly reshaped and reproduced through these interactions. Understanding this process creates opportunities for changing collective norms and behavior. (PsycINFO Database Record (c) 2012 APA, all rights reserved).

How the Website Usability Elements Impact Performance

NASA Astrophysics Data System (ADS)

Aljukhadar, Muhammad; Senecal, Sylvain

This research builds on the results of a large scale study in which participants performed an informational task on one of 59 websites spanning various industries to examine how the website usability elements (graphical attractiveness, information, interactivity, trust, and ease of use) drive users’ attitudes and intentions toward the website and how these effects vary according to site experience and end product tangibility. Results show that while the effects of site interactivity and graphical attractiveness were more influential for services sites, the effects of site information and trust were stronger for tangibles sites. Alternatively, compared to returning site visitors, first-time visitors perceived the website as less easy to use, needed more time to accomplish the online task, and based positive attitudes and intentions more strongly on the site information and interactivity. The results of a second study performed in a proximate culture largely corroborate these findings.

Framing medical tourism: an examination of appeal, risk, convalescence, accreditation, and interactivity in medical tourism web sites.

PubMed

Mason, Alicia; Wright, Kevin B

2011-02-01

This exploratory study analyzed the content of medical tourism Web sites in an attempt to examine how they convey information about benefits and risks of medical procedures, how they frame credibility, and the degree to which these Web sites include interactive features for consumers. Drawing upon framing theory, the researchers content analyzed a sample of 66 medical tourism Web sites throughout the world. The results indicated that medical tourism Web sites largely promote the benefits of medical procedures while downplaying the risks, and relatively little information regarding the credibility of these services appears. In addition, the presentation of benefits/risks, credibility, and Web site interactivity were found to differ by region and type of facility. The authors discuss the implications of these findings concerning the framing of medical tourism Web site content, future directions for research, and limitations.

Web-based education for postpartum depression: conceptual development and impact.

PubMed

Wisner, Katherine L; Logsdon, M Cynthia; Shanahan, Brian R

2008-12-01

Postpartum depression (PPD) is a major public health problem that occurs in one of every seven women in the first 3 months after birth. Left untreated, PPD can persist for months to years and lead to adverse consequences for both mother and child. Primary care providers have the most medical contact with postpartum women and are well positioned to screen for and identify PPD. However, PPD recognition and treatment is generally not included in physician training, and few continuing education programs on PPD are available. Developed with support from NIMH SBIR contract (# HHSN278200554096C), the Web site MedEdPPD was designed to provide professionals with the tools to successfully engage, screen, diagnose, treat, and refer women with PPD. Resources on the site include CME/CE modules; interactive case studies; classic papers and current literature; provider tools; a comprehensive slide library; events calendar; and resources. MedEdPPD also contains materials for women with PPD, their friends and family members. As of March 2008, the site had over 17,000 visitors who represented both consumers and a broad distribution of health care professional disciplines. The nine CME/CE learning modules on MedEdPPD have been particularly heavily utilized by nurses. The number of repeat and new visitors has increased steadily since the site's launch. User feedback has been consistently positive. Based upon theories of adult education, MedEdPPD offers diverse strategies to facilitate learning. The site promotes education and training in PPD treatment that is flexible, cost-effective, and meets the needs of health care professionals.

Elucidation of the binding sites of sodium dodecyl sulfate to β-lactoglobulin using hydrogen/deuterium exchange mass spectrometry combined with docking simulation.

PubMed

Hu, Wenbing; Liu, Jianan; Luo, Qun; Han, Yumiao; Wu, Kui; Lv, Shuang; Xiong, Shaoxiang; Wang, Fuyi

2011-05-30

Hydrogen/deuterium exchange mass spectrometry (H/DX MS) has become a powerful tool to investigate protein-protein and protein-ligand interactions, but it is still challenging to localize the interaction regions/sites of ligands with pepsin-resistant proteins such as lipocalins. β-Lactoglobulin (BLG), a member of the lipocalin family, can bind a variety of small hydrophobic molecules including retinols, retinoic acids, and long linear fatty acids. However, whether the binding site of linear molecules locates in the external groove or internal cavity of BLG is controversial. In this study we used H/DX MS combined with docking simulation to localize the interaction sites of a tested ligand, sodium dodecyl sulfate (SDS), binding to BLG. H/DX MS results indicated that SDS can bind to both the external and the internal sites in BLG. However, neither of the sites is saturated with SDS, allowing a dynamic ligand exchange to occur between the sites at equilibrium state. Docking studies revealed that SDS forms H-bonds with Lys69 in the internal site and Lys138 and Lys141 in the external site in BLG via the sulfate group, and interacts with the hydrophobic residues valine, leucine, isoleucine and methionine within both of the sites via its hydrocarbon tail, stabilizing the BLG-SDS complex. Copyright © 2011 John Wiley & Sons, Ltd.

Anuran site occupancy and species richness as tools for evaluating restoration of a hydrologically-modified landscape

USGS Publications Warehouse

Walls, Susan; Waddle, J. Hardin; Barichivich, William J.; Bartoszek, Ian A.; Brown, Mary E.; Hefner, J. M.; Schuman, Melinda J.

2014-01-01

A fundamental goal of wetland restoration is to reinstate pre-disturbance hydrological conditions to degraded landscapes, facilitating recolonization by native species and the production of resilient, functional ecosystems. To evaluate restoration success, baseline conditions need to be determined and a reference target needs to be established that will serve as an ecological blueprint in the restoration process. During the summer wet seasons of 2010 and 2011, we used automated recording units to monitor a community of calling anuran amphibians in the Picayune Strand State Forest of Southwest Florida, USA. This area is undergoing hydrological restoration as part of the Comprehensive Everglades Restoration Plan. We compared occurrence of anurans at sites in the restoration area, to nearby locations in relatively undisturbed habitat (reference sites). We assessed the utility of the latter as restoration targets, using a hierarchical model of community species occupancy to estimate the probability of occurrence of anurans in restoration and reference locations. We detected 14 species, 13 of which were significantly more likely to occur in reference areas. All 14 species were estimated by our model to occur at these sites but, across both years, only 8–13 species were estimated to occur at restoration sites. The composition and structure of these habitats within and adjacent to the Picayune Strand State Forest indicate that they are suitable targets for habitat restoration, as measured by amphibian occurrence and species richness. These areas are important sources for recolonization of anuran amphibians as the hydrologically degraded Picayune Strand undergoes restoration to mitigate the effects of overdrainage and habitat loss.

Analysis of Human Proteome Organization Plasma Proteome Project (HUPO PPP) reference specimens using surface enhanced laser desorption/ionization-time of flight (SELDI-TOF) mass spectrometry: multi-institution correlation of spectra and identification of biomarkers.

PubMed

Rai, Alex J; Stemmer, Paul M; Zhang, Zhen; Adam, Bao-Ling; Morgan, William T; Caffrey, Rebecca E; Podust, Vladimir N; Patel, Manisha; Lim, Lih-Yin; Shipulina, Natalia V; Chan, Daniel W; Semmes, O John; Leung, Hon-Chiu Eastwood

2005-08-01

We report on a multicenter analysis of HUPO reference specimens using SELDI-TOF MS. Eight sites submitted data obtained from serum and plasma reference specimen analysis. Spectra from five sites passed preliminary quality assurance tests and were subjected to further analysis. Intralaboratory CVs varied from 15 to 43%. A correlation coefficient matrix generated using data from these five sites demonstrated high level of correlation, with values >0.7 on 37 of 42 spectra. More than 50 peaks were differentially present among the various sample types, as observed on three chip surfaces. Additionally, peaks at approximately 9200 and approximately 15,950 m/z were present only in select reference specimens. Chromatographic fractionation using anion-exchange, membrane cutoff, and reverse phase chromatography, was employed for protein purification of the approximately 9200 m/z peak. It was identified as the haptoglobin alpha subunit after peptide mass fingerprinting and high-resolution MS/MS analysis. The differential expression of this protein was confirmed by Western blot analysis. These pilot studies demonstrate the potential of the SELDI platform for reproducible and consistent analysis of serum/plasma across multiple sites and also for targeted biomarker discovery and protein identification. This approach could be exploited for population-based studies in all phases of the HUPO PPP.

Biomonitoring of the environmental genotoxic potential of emissions from a complex of ceramic industries in Monte Carmelo, Minas Gerais, Brazil, using Tradescantia pallida.

PubMed

Campos, Carlos Fernando; Júnior, Edimar Olegário de Campos; Souto, Henrique Nazareth; Sousa, Eduardo de Freitas; Pereira, Boscolli Barbosa

2016-01-01

The micronucleus (MN) test and analysis of heavy metal biological accumulation in Tradescantia pallida (T. pallida) were bioassays used to assess the genotoxic potential of emissions from a complex of ceramic industries into the atmosphere in a city in Brazil that is considered a national reference source for roof tile production. The ceramic industry emission-exposed T. pallida plants were biomonitored during the dry season, in June, July, and August 2013. In addition to the contaminated monitoring site, a reference site in a peri-urban area was utilized, for comparative purposes. Genotoxicity assessments were determined monthly, while heavy metal bioaccumulation was measured at the end of the total exposure period. The MN frequency was significantly greater in T. pallida plants exposed in the ceramic industry emission monitored area compared to the reference site, and highest MN rates were observed in July and August. With respect to heavy metal bioaccumulation in T. pallida leaves, cadmium (Cd) and chromium (Cr) concentrations were significantly higher in plants at the ceramic industry emission monitoring site. Thus, in relation to the parameters assessed, T. pallida was found to be sensitive to atmospheric contamination by heavy metals attributed to ceramic products emissions generated by the ceramic industry, confirming that this plant species may be employed as a reference organism in biomonitoring studies.

Cellular proteostasis: degradation of misfolded proteins by lysosomes

PubMed Central

Jackson, Matthew P.

2016-01-01

Proteostasis refers to the regulation of the cellular concentration, folding, interactions and localization of each of the proteins that comprise the proteome. One essential element of proteostasis is the disposal of misfolded proteins by the cellular pathways of protein degradation. Lysosomes are an important site for the degradation of misfolded proteins, which are trafficked to this organelle by the pathways of macroautophagy, chaperone-mediated autophagy and endocytosis. Conversely, amyloid diseases represent a failure in proteostasis, in which proteins misfold, forming amyloid deposits that are not degraded effectively by cells. Amyloid may then exacerbate this failure by disrupting autophagy and lysosomal proteolysis. However, targeting the pathways that regulate autophagy and the biogenesis of lysosomes may present approaches that can rescue cells from the deleterious effects of amyloidogenic proteins. PMID:27744333

Substrate strain induced interaction of adatoms on W (110)

NASA Astrophysics Data System (ADS)

Kappus, W.

1980-09-01

The interaction of adatoms due to elastic strains created in an elastically isotropic substrate is investigated. For cases where the adatoms occupy sites with low symmetry, an angular dependent interaction results which falls off as s-3 at large distances. An exact expression is given for the long range interaction in terms of an anisotropy parameter of the force dipole tensor. The short range interaction is calculated by introducing a smooth cutoff. Interactions of adatoms on near neighbour sites on W (110) are given.

RegPrecise 3.0--a resource for genome-scale exploration of transcriptional regulation in bacteria.

PubMed

Novichkov, Pavel S; Kazakov, Alexey E; Ravcheev, Dmitry A; Leyn, Semen A; Kovaleva, Galina Y; Sutormin, Roman A; Kazanov, Marat D; Riehl, William; Arkin, Adam P; Dubchak, Inna; Rodionov, Dmitry A

2013-11-01

Genome-scale prediction of gene regulation and reconstruction of transcriptional regulatory networks in prokaryotes is one of the critical tasks of modern genomics. Bacteria from different taxonomic groups, whose lifestyles and natural environments are substantially different, possess highly diverged transcriptional regulatory networks. The comparative genomics approaches are useful for in silico reconstruction of bacterial regulons and networks operated by both transcription factors (TFs) and RNA regulatory elements (riboswitches). RegPrecise (http://regprecise.lbl.gov) is a web resource for collection, visualization and analysis of transcriptional regulons reconstructed by comparative genomics. We significantly expanded a reference collection of manually curated regulons we introduced earlier. RegPrecise 3.0 provides access to inferred regulatory interactions organized by phylogenetic, structural and functional properties. Taxonomy-specific collections include 781 TF regulogs inferred in more than 160 genomes representing 14 taxonomic groups of Bacteria. TF-specific collections include regulogs for a selected subset of 40 TFs reconstructed across more than 30 taxonomic lineages. Novel collections of regulons operated by RNA regulatory elements (riboswitches) include near 400 regulogs inferred in 24 bacterial lineages. RegPrecise 3.0 provides four classifications of the reference regulons implemented as controlled vocabularies: 55 TF protein families; 43 RNA motif families; ~150 biological processes or metabolic pathways; and ~200 effectors or environmental signals. Genome-wide visualization of regulatory networks and metabolic pathways covered by the reference regulons are available for all studied genomes. A separate section of RegPrecise 3.0 contains draft regulatory networks in 640 genomes obtained by an conservative propagation of the reference regulons to closely related genomes. RegPrecise 3.0 gives access to the transcriptional regulons reconstructed in bacterial genomes. Analytical capabilities include exploration of: regulon content, structure and function; TF binding site motifs; conservation and variations in genome-wide regulatory networks across all taxonomic groups of Bacteria. RegPrecise 3.0 was selected as a core resource on transcriptional regulation of the Department of Energy Systems Biology Knowledgebase, an emerging software and data environment designed to enable researchers to collaboratively generate, test and share new hypotheses about gene and protein functions, perform large-scale analyses, and model interactions in microbes, plants, and their communities.

Nest success, cause-specific nest failure, and hatchability of aquatic birds at selenium-contaminated Kesterson Reservoir and a reference site

USGS Publications Warehouse

Ohlendorf, Harry M.; Hothem, Roger L.; Welsh, Daniel

1989-01-01

During 1983-1985, we studied the reproductive success of several species of aquatic birds (coots, ducks, shorebirds, and grebes) nesting at two sites in Merced County, California: a selenium-contaminated site (Kesterson Reservoir) and a nearby reference site (Volta Wildlife Area). We used a computer program (MICROMORT) developed for the analysis of radiotelemetry data (Heisey and Fuller 1985) to estimate nest success and cause-specific failure rates, and then compared these parameters and hatchability between sites and among years. Nest success and causes of failure varied by species, site, and year. The most important causes of nest failure were usually predation, desertion, and water-level changes. However, embryotoxicosis (mortality, deformity, and lack of embryonic development) was the most important cause of nest failure in Eared Grebes (Podiceps nigricollis) at Kesterson Reservoir. Embryotoxicosis also reduced the hatchability of eggs of all other species at Kesterson in one or more years; embryonic mortality occurred rarely at Volta, and abnormalities were not observed.

Problems in archaeomagnetic reference curves elaboration in the prehistoric past.

NASA Astrophysics Data System (ADS)

Avramova, M.; Kovacheva, M.; Boyadziev, Y.

2012-04-01

Most important task of archaeomagnetic studies is the construction of the geomagnetic field secular variations in the past for a given territory. The obtained reference curves would be precise only when a large number of well-dated archaeological sites from different time periods are included as input data. Sofia Palaeomagnetic laboratory is the first one in the Balkans to accumulate a large number of data spanning the time interval of 3000 BP to 8000 BP. Many archaeological sites in Bulgaria are multilevel settlements with clear stratigraphy. Commonly the prehistoric sites are dated according to the relative chronology, the type of archaeological artifacts found and 14C dates, the latter being not always available. The biggest difficulty is that usually the radiocarbon dates are not well constrained, often contradictory to the vertical stratigraphy. The transformation of conventional 14C dates to absolute dates BC depends a lot on which part of dendrochronological calibration curve are they related. Besides, multiple dating intervals are often obtained and the calibrated intervals are usually very large (from 100 to 300 and more years). However, when archaeological discoveries of multilevel prehistoric sites are combined with archaeomagnetic investigations the corresponding archaeomagnetic profiles can be obtained. Currently we have archaeomagnetic data for fifteen prehistoric multilevel sites - two of them are Neolithic, nine - Eneolithic and four are from the Bronze Age. The next step is to juxtapose these stratigraphic profiles with the absolute scale of time having in mind that not all sites and layers have 14C dates. Thanks to abundance of 14C dates for most of Bulgarian prehistoric sites, multilayer sites connected with the absolute chronology exist and can be used as reference profiles. The time frames of each horizon for such reference site are based on series of 14C dates (not single measurements), the analysis of the thickness of layers, type of material dated (perennial or annual) and cultural features. An example for such reference profile is the multilevel site Yunatzite from the Early Bronze Age. The comparison of archaeomagnetic profile Yunatzite with another archaeomagnetically studied Early Bronze Age multilevel site Djadovo shows very good agreement. Comparisons of other archaeomagnetic profiles available for Bulgaria related to the same epoch or sub-epoch will be presented. The expected correspondence can help the refinement of chronology of sites having only stratigraphic profiles. In our opinion the observed discrepancies between the local PSVCs for a given geographical region might be due mainly to the above described difficulties for elaboration of these curves in the prehistory. The further refinement and updating of existing archaeomagnetic databases will help considerably the elaboration of the newest geomagnetic field models. Acknowledgement: A partial financial support is from the Project "The archaeomagnetism - a key for solving fundamental problems in geophysics and archaeology", granted from the Bulgarian National Science Fund.

Myths on Bi-direction Communication of Web 2.0 Based Social Networks: Is Social Network Truly Interactive?

DTIC Science & Technology

2011-03-10

more and more social interactions are happening on the on-line. Especially recent uptake of the social network sites (SNSs), such as Facebook (http...results give overviews on social interactions on a popular social network site . As each twitter account has different characteristics based on...the public and individuals post their private stories on their blogs and share their interests using social network sites . On the other hand, people

Role of Electrostatics in Protein-RNA Binding: The Global vs the Local Energy Landscape.

PubMed

Ghaemi, Zhaleh; Guzman, Irisbel; Gnutt, David; Luthey-Schulten, Zaida; Gruebele, Martin

2017-09-14

U1A protein-stem loop 2 RNA association is a basic step in the assembly of the spliceosomal U1 small nuclear ribonucleoprotein. Long-range electrostatic interactions due to the positive charge of U1A are thought to provide high binding affinity for the negatively charged RNA. Short range interactions, such as hydrogen bonds and contacts between RNA bases and protein side chains, favor a specific binding site. Here, we propose that electrostatic interactions are as important as local contacts in biasing the protein-RNA energy landscape toward a specific binding site. We show by using molecular dynamics simulations that deletion of two long-range electrostatic interactions (K22Q and K50Q) leads to mutant-specific alternative RNA bound states. One of these states preserves short-range interactions with aromatic residues in the original binding site, while the other one does not. We test the computational prediction with experimental temperature-jump kinetics using a tryptophan probe in the U1A-RNA binding site. The two mutants show the distinct predicted kinetic behaviors. Thus, the stem loop 2 RNA has multiple binding sites on a rough RNA-protein binding landscape. We speculate that the rough protein-RNA binding landscape, when biased to different local minima by electrostatics, could be one way that protein-RNA interactions evolve toward new binding sites and novel function.

Cone arrestin binding to JNK3 and Mdm2: conformational preference and localization of interaction sites

PubMed Central

Song, Xiufeng; Gurevich, Eugenia V.; Gurevich, Vsevolod V.

2008-01-01

Arrestins are multi-functional regulators of G protein-coupled receptors. Receptor-bound arrestins interact with >30 remarkably diverse proteins and redirect the signaling to G protein-independent pathways. The functions of free arrestins are poorly understood, and the interaction sites of the non-receptor arrestin partners are largely unknown. In this study, we show that cone arrestin, the least studied member of the family, binds c-Jun N-terminal kinase (JNK3) and Mdm2 and regulates their subcellular distribution. Using arrestin mutants with increased or reduced structural flexibility, we demonstrate that arrestin in all conformations binds JNK3 comparably, whereas Mdm2 preferentially binds cone arrestin ‘frozen’ in the basal state. To localize the interaction sites, we expressed separate N- and C-domains of cone and rod arrestins and found that individual domains bind JNK3 and remove it from the nucleus as efficiently as full-length proteins. Thus, the arrestin binding site for JNK3 includes elements in both domains with the affinity of partial sites on individual domains sufficient for JNK3 relocalization. N-domain of rod arrestin binds Mdm2, which localizes its main interaction site to this region. Comparable binding of JNK3 and Mdm2 to four arrestin subtypes allowed us to identify conserved residues likely involved in these interactions. PMID:17680991

Distribution of sewage indicated by Clostridium perfringens at a deep-water disposal site after cessation of sewage disposal.

PubMed

Hill, R T; Straube, W L; Palmisano, A C; Gibson, S L; Colwell, R R

1996-05-01

Clostridium perfringens, a marker of domestic sewage contamination, was enumerated in sediment samples obtained from the vicinity of the 106-Mile Site 1 month and 1 year after cessation of sewage disposal at this site. C. perfringens counts in sediments collected at the disposal site and from stations 26 nautical miles (ca. 48 km) and 50 nautical miles (ca. 92 km) to the southwest of the site were, in general, more than 10-fold higher than counts from an uncontaminated reference site. C. perfringens counts at the disposal site were not significantly different between 1992 and 1993, suggesting that sewage sludge had remained in the benthic environment at this site. At stations where C. perfringens counts were elevated (i.e., stations other than the reference station), counts were generally higher in the top 1 cm and decreased down to 5 cm. In some cases, C. perfringens counts in the bottom 4 or 5 cm showed a trend of higher counts in 1993 than in 1992, suggesting bioturbation. We conclude that widespread sludge contamination of the benthic environment has persisted for at least 1 year after cessation of ocean sewage disposal at the 106-Mile Site.

Drinking water treatment response following a Colorado wildfire.

PubMed

Hohner, Amanda K; Cawley, Kaelin; Oropeza, Jill; Summers, R Scott; Rosario-Ortiz, Fernando L

2016-11-15

Wildfires can greatly alter the vegetation, soils, and hydrologic processes of watersheds serving as drinking water supplies, which may negatively influence source water quality and treatment. To address wildfire impacts on treatment, a drinking water intake below a burned watershed and an upstream, unburned reference site were monitored following the High Park wildfire (2012) in the Cache la Poudre watershed of northern Colorado, USA. Turbidity, nutrients, dissolved organic matter (DOM) character, coagulation treatability, and disinfection byproduct formation were evaluated and compared to pre-fire data. Post-fire paired spatial differences between the treatment plant intake and reference site for turbidity, nitrogen, and phosphorus increased by an order of magnitude compared to pre-fire differences. Fluorescence index (FI) values were significantly higher at the intake compared to the reference site (Δ = 0.04), and higher than pre-fire years, suggesting the wildfire altered the DOM character of the river. Total trihalomethane (TTHM) and haloacetonitrile (HAN4) formation at the intake were 10.1 μg L -1 and 0.91 μg L -1 higher than the reference site. Post-fire water was amenable to conventional treatment at a 10 mg L -1 higher average alum dose than reference samples. The intake was also monitored following rainstorms. Post-rainstorm samples showed the maximum observed FI values (1.52), HAN4 (3.4 μg mg C -1 ) and chloropicrin formation yields (3.6 μg mg C -1 ), whereas TTHM and haloacetic acid yields were not elevated. Several post-rainstorm samples presented treatment challenges, and even at high alum doses (65 mg L -1 ), showed minimal dissolved organic carbon removal (<10%). The degraded water quality of the post-rainstorm samples is likely attributed to the combined effects of runoff from precipitation and greater erosion following wildfire. Wildfire impacts cannot be separated from rainfall effects due to the lack of post-rainstorm samples from the reference site. Results suggest for this study region, wildfire may have consequences for influent water quality, coagulant dosing, and DBP speciation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Observed Interactions Indicate Protective Effects of Relationships with Parents for Referred Adolescents

ERIC Educational Resources Information Center

Willemen, Agnes M.; Schuengel, Carlo; Koot, Hans M.

2011-01-01

This study examined whether the quality of parent-adolescent interactions moderate the association between stressful life events and internalizing and externalizing problems in referred adolescents (N = 101, M age 13.41 years, SD = 1.81). Adolescents and their parents reported on psychological problems at the time of referral and 4 years later. At…

Nuclear facility decommissioning and site remedial actions: A selected bibliography: Volume 8

DOE Office of Scientific and Technical Information (OSTI.GOV)

Owen, P.T.; Michelson, D.C.; Knox, N.P.

1987-09-01

The 553 abstracted references on nuclear facility decommissioning, uranium mill tailings management, and site remedial actions constitute the eighth in a series of reports. Foreign and domestic literature of all types - technical reports, progress reports, journal articles, symposia proceedings, theses, books, patents, legislation, and research project descriptions - has been included. The bibliography contains scientific, technical, economic, regulatory, and legal information pertinent to the US Department of energy's remedial action program. Major chapters are Surplus Facilities Management Program, Nuclear Facilities Decommissioning, Formerly Utilized Sites Remedial Action Program, Facilities Contaminated with Naturally Occurring Radionuclides, Uranium Mill Tailings Remedial Action Program,more » Uranium Mill Tailings Management, Technical Measurements Center, and General Remedial Action Program Studies. Chapter sections for chapters 1, 2, 5, and 6 include Design, Planning, and Regulations; Environmental Studies and Site Surveys; Health, Safety, and Biomedical Studies; Decontamination Studies; Dismantlement and Demolition; Site Stabilization and Reclamation; Waste Disposal; Remedial Action Experience; and General Studies. Within these categories, references are arranged alphabetically by first author. Those references having no individual author are listed by corporate affiliation or by publication description. Indexes are provided for author, corporate affiliation, title word, publication description, geographic location, and keywords. The appendix contains a list of frequently used acronyms and abbreviations.« less

Human-Robot Teams for Unknown and Uncertain Environments

NASA Technical Reports Server (NTRS)

Fong, Terry

2015-01-01

Man-robot interaction is the study of interactions between humans and robots. It is often referred as HRI by researchers. Human-robot interaction is a multidisciplinary field with contributions from human-computer interaction, artificial intelligence.

75 FR 44250 - Proposed Administrative Settlement Agreement Under Section 122 of the Comprehensive Environmental...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-07-28

... Dump No. 5 Site located in Jersey City, Hudson County, NJ AGENCY: Environmental Protection Agency... certain response costs incurred by EPA at the Turnpike Dump No. 5 Site (``Site'') located in Jersey City.... ADDRESSES: Comments should reference the Turnpike Dump No. 5 Site, EPA Index No. II-CERCLA-02-2010-2015 and...

78 FR 940 - Proposed Administrative Cost Recovery Settlement Under Section 122(h) of the Comprehensive...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-07

... Liability Act, as Amended, Former W&J Lanyon Zinc Works Superfund Site, Pittsburg, Crawford County, KS... compromise of past response costs concerning the Former W&J Lanyon Zinc Works Superfund Site (the ``Site... 66219, (913) 551-7567. Requests should reference the Former W&J Lanyon Zinc Works Superfund Site, EPA...

Embodied Interaction Priority: Other's Body Part Affects Numeral-Space Mappings.

PubMed

You, Xuqun; Zhang, Yu; Zhu, Rongjuan; Guo, Yu

2018-01-01

Traditionally, the spatial-numerical association of response codes (SNARC) effect was presented in two-choice condition, in which only one individual reacted to both even (small) and odd (large) numbers. Few studies explored SNARC effect in a social situation. Moreover, there are many reference frames involved in SNARC effect, and it has not yet been investigated which reference frame is dominated when two participants perform the go-nogo task together. In the present study, we investigated which reference frame plays a primary role in SNARC effect when allocentric and egocentric reference frames were consistent or inconsistent in social settings. Furthermore, we explored how two actors corepresent number-space mapping interactively. Results of the two experiments demonstrated that egocentric reference frame was at work primarily when two reference frames were consistent and inconsistent. This shows that body-centered coordinate frames influence number-space mapping in social settings, and one actor may represent another actor's action and tasks.

76 FR 58403 - Prohibitions-Developed Recreation Sites

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-21

... animal'' to refer to a dog that has been individually trained to do work or perform tasks for the benefit of an individual with a disability. Accordingly, the references to ``seeing eye dog'' are being... implementing Title II of the ADA use the term ``service animal'' to refer to a dog that has been individually...

Occurrence of Organic Wastewater Compounds in the Tinkers Creek Watershed and Two Other Tributaries to the Cuyahoga River, Northeast Ohio

USGS Publications Warehouse

Tertuliani, J.S.; Alvarez, D.A.; Furlong, E.T.; Meyer, M.T.; Zaugg, S.D.; Koltun, G.F.

2008-01-01

The U.S. Geological Survey - in cooperation with the Ohio Water Development Authority; National Park Service; Cities of Aurora, Bedford, Bedford Heights, Solon, and Twinsburg; and Portage and Summit Counties - and in collaboration with the Ohio Environmental Protection Agency, did a study to determine the occurrence and distribution of organic wastewater compounds (OWCs) in the Tinkers Creek watershed in northeastern Ohio. In the context of this report, OWCs refer to a wide range of compounds such as antibiotics, prescription and nonprescription pharmaceuticals, personal-care products, household and industrial compounds (for example, antimicrobials, fragrances, surfactants, fire retardants, and so forth) and a variety of other chemicals. Canisters containing polar organic integrative sampler (POCIS) and semipermeable membrane device (SPMD) media were deployed instream for a 28-day period in Mayand June 2006 at locations upstream and downstream from seven wastewater-treatment-plant (WWTP) outfalls in the Tinkers Creek watershed, at a site on Tinkers Creek downstream from all WWTP discharges, and at one reference site each in two nearby watersheds (Yellow Creek and Furnace Run) that drain to the Cuyahoga River. Streambed-sediment samples also were collected at each site when the canisters were retrieved. POCIS and SPMDs are referred to as 'passive samplers' because they sample compounds that they are exposed to without use of mechanical or moving parts. OWCs detected in POCIS and SPMD extracts are referred to in this report as 'detections in water' because both POCIS and SPMDs provided time-weighted measures of concentration in the stream over the exposure period. Streambed sediments also reflect exposure to OWCs in the stream over a long period of time and provide another OWC exposure pathway for aquatic organisms. Four separate laboratory methods were used to analyze for 32 antibiotic, 20 pharmaceutical, 57 to 66 wastewater, and 33 hydrophobic compounds. POCIS and streambed-sediment extracts were analyzed by both the pharmaceutical and wastewater methods. POCIS extracts also were analyzed by the antibiotic method, and SPMD extracts were analyzed by the hydrophobic-compound method. Analytes associated with a given laboratory method are referred to in aggregate by the method name (for example, antibiotic-method analytes are referred to as 'antibiotic compounds') even though some analytes associated with the method may not be strictly classified as such. In addition, some compounds were included in the analyte list for more than one laboratory method. For a given sample matrix, individual compounds detected by more than one analytical method are included independently in counts for each method. A total of 12 antibiotic, 20 pharmaceutical, 41 wastewater, and 22 hydrophobic compounds were detected in water at one or more sites. Eight pharmaceutical and 37 wastewater compounds were detected in streambed sediments. The numbers of detections at reference sites tended to be in the low range of detection counts observed in the Tinkers Creek watershed for a given analytical method. Also, the total numbers of compounds detected in water and sediment at the reference sites were less than the total numbers of compounds detected at sites in the Tinkers Creek watershed. With the exception of hydrophobic compounds, it was common at most sites to have more compounds detected in samples collected downstream from WWTP outfalls than in corresponding samples collected upstream from the outfalls. This was particularly true for antibiotic, pharmaceutical, and wastewater compounds in water. In contrast, it was common to have more hydrophobic compounds detected in samples collected upstream from WWTP outfalls than downstream. Caffeine, fluoranthene, N,N-diethyl-meta-toluamide (DEET), phenanthrene, and pyrene were detected in water at all sites in the Tinkers Creek watershed, irrespective of whether the site was upstream or downs

Sequence variability of the respiratory syncytial virus (RSV) fusion gene among contemporary and historical genotypes of RSV/A and RSV/B

PubMed Central

Hause, Anne M.; Henke, David M.; Avadhanula, Vasanthi; Shaw, Chad A.; Tapia, Lorena I.

2017-01-01

Background The fusion (F) protein of RSV is the major vaccine target. This protein undergoes a conformational change from pre-fusion to post-fusion. Both conformations share antigenic sites II and IV. Pre-fusion F has unique antigenic sites p27, ø, α2α3β3β4, and MPE8; whereas, post-fusion F has unique antigenic site I. Our objective was to determine the antigenic variability for RSV/A and RSV/B isolates from contemporary and historical genotypes compared to a historical RSV/A strain. Methods The F sequences of isolates from GenBank, Houston, and Chile (N = 1,090) were used for this analysis. Sequences were compared pair-wise to a reference sequence, a historical RSV/A Long strain. Variability (calculated as %) was defined as changes at each amino acid (aa) position when compared to the reference sequence. Only aa at antigenic sites with variability ≥5% were reported. Results A total of 1,090 sequences (822 RSV/A and 268 RSV/B) were analyzed. When compared to the reference F, those domains with the greatest number of non-synonymous changes included the signal peptide, p27, heptad repeat domain 2, antigenic site ø, and the transmembrane domain. RSV/A subgroup had 7 aa changes in the antigenic sites: site I (N = 1), II (N = 1), p27 (N = 4), α2α3β3β4(AM14) (N = 1), ranging in frequency from 7–91%. In comparison, RSV/B had 19 aa changes in antigenic sites: I (N = 3), II (N = 1), p27 (N = 9), ø (N = 4), α2α3β3β4(AM14) (N = 1), and MPE8 (N = 1), ranging in frequency from 79–100%. Discussion Although antigenic sites of RSV F are generally well conserved, differences are observed when comparing the two subgroups to the reference RSV/A Long strain. Further, these discrepancies are accented in the antigenic sites in pre-fusion F of RSV/B isolates, often occurring with a frequency of 100%. This could be of importance if a monovalent F protein from the historical GA1 genotype of RSV/A is used for vaccine development. PMID:28414749

Sequence variability of the respiratory syncytial virus (RSV) fusion gene among contemporary and historical genotypes of RSV/A and RSV/B.

PubMed

Hause, Anne M; Henke, David M; Avadhanula, Vasanthi; Shaw, Chad A; Tapia, Lorena I; Piedra, Pedro A

2017-01-01

The fusion (F) protein of RSV is the major vaccine target. This protein undergoes a conformational change from pre-fusion to post-fusion. Both conformations share antigenic sites II and IV. Pre-fusion F has unique antigenic sites p27, ø, α2α3β3β4, and MPE8; whereas, post-fusion F has unique antigenic site I. Our objective was to determine the antigenic variability for RSV/A and RSV/B isolates from contemporary and historical genotypes compared to a historical RSV/A strain. The F sequences of isolates from GenBank, Houston, and Chile (N = 1,090) were used for this analysis. Sequences were compared pair-wise to a reference sequence, a historical RSV/A Long strain. Variability (calculated as %) was defined as changes at each amino acid (aa) position when compared to the reference sequence. Only aa at antigenic sites with variability ≥5% were reported. A total of 1,090 sequences (822 RSV/A and 268 RSV/B) were analyzed. When compared to the reference F, those domains with the greatest number of non-synonymous changes included the signal peptide, p27, heptad repeat domain 2, antigenic site ø, and the transmembrane domain. RSV/A subgroup had 7 aa changes in the antigenic sites: site I (N = 1), II (N = 1), p27 (N = 4), α2α3β3β4(AM14) (N = 1), ranging in frequency from 7-91%. In comparison, RSV/B had 19 aa changes in antigenic sites: I (N = 3), II (N = 1), p27 (N = 9), ø (N = 4), α2α3β3β4(AM14) (N = 1), and MPE8 (N = 1), ranging in frequency from 79-100%. Although antigenic sites of RSV F are generally well conserved, differences are observed when comparing the two subgroups to the reference RSV/A Long strain. Further, these discrepancies are accented in the antigenic sites in pre-fusion F of RSV/B isolates, often occurring with a frequency of 100%. This could be of importance if a monovalent F protein from the historical GA1 genotype of RSV/A is used for vaccine development.

Glacial-Interglacial, Orbital and Millennial-Scale Climate Variability for the Last Glacial Cycle at Shackleton Site U1385 based on Dinoflagellate Cysts

NASA Astrophysics Data System (ADS)

Datema, M.

2015-12-01

The Shackleton Site (IODP Expedition 339 Site U1385), located off the West-Portuguese Margin, preserves a continuous high-fidelity record of millennial-scale climate variability for the last several glacial cycles (~1.4 Myr) that can be correlated precisely to patterns observed in polar ice cores. In addition, rapid delivery of terrestrial material to the deep-sea environment allows the correlation of these marine records to European terrestrial climate records. This unique marine-ice-terrestrial linkage makes the Shackleton Site the ideal reference section for studying Quaternary abrupt climate change. The main objective of studying Site U1385 is to establish a marine reference section of Pleistocene climate change. We generated (sub)millennial-scale (~600 year interval) dinoflagellate cyst (dinocyst) assemblage records from Shackleton Site U1385 (IODP Expedition 339) to reconstruct sea surface temperature (SST) and productivity/upwelling over the last 152 kyrs. In addition, our approach allows for detailed land-sea correlations, because we also counted assemblages of pollen and spores from higher plants. Dinocyst SST and upwelling proxies, as well as warm/cold pollen proxies from Site U1385 show glacial-interglacial, orbital and stadial-interstadial climate variability and correlate very well to Uk'37, planktic foraminifer δ18O and Ca/Ti proxies of previously drilled Shackleton Sites and Greenland Ice Core δ18O. The palynological proxies capture (almost) all Dansgaard-Oeschger events of the last glacial cycle, also before ~70 ka, where millennial-scale variability is overprinted by precession. We compare the performance and results of the palynology of Site U1385 to proxies of previously drilled Shackleton Sites and conclude that palynology strengthens the potential of this site to form a multi-proxy reference section for millennial scale climate variability across the Pleistocene-Holocene. Finally, we will present a long-term paleoceanographic perspective down to ~150 ka.

Metals in agricultural produce associated with acid-mine drainage in Mount Morgan (Queensland, Australia).

PubMed

Vicente-Beckett, Victoria A; McCauley, Gaylene J Taylor; Duivenvoorden, Leo J

2016-01-01

Acid-mine drainage (AMD) into the Dee River from the historic gold and copper mine in Mount Morgan, Queensland (Australia) has been of concern to farmers in the area since 1925. This study sought to determine the levels of AMD-related metals and sulfur in agricultural produce grown near the mine-impacted Dee River, compare these with similar produce grown in reference fields (which had no known AMD influence), and assess any potential health risk using relevant Australian or US guidelines. Analyses of lucerne (Medicago sativa; also known as alfalfa) from five Dee fields showed the following average concentrations (mg/kg dry basis): Cd < 1, Cu 11, Fe 106, Mn 52, Pb < 5, Zn 25 and S 3934; similar levels were found in lucerne hay (used as cattle feed) from two Dee fields. All lucerne and lucerne hay data were generally comparable with levels found in the lucerne reference fields, suggesting no AMD influence; the levels were within the US National Research Council (US NRC) guidelines for maximum tolerable cattle dietary intake. Pasture grass (also cattle feed) from two fields in the Dee River floodplains gave mean concentrations (mg/kg dry) of Cd 0.14, Cu 12, Fe 313, Mn 111, Pb 1.4, Zn 86 and S 2450. All metal levels from the Dee and from reference sites were below the US NRC guidelines for maximum tolerable cattle dietary intake; however, the average Cd, Cu and Fe levels in Dee samples were significantly greater than the corresponding levels in the pasture grass reference sites, suggesting AMD influence in the Dee samples. The average levels in the edible portions of mandarin oranges (Citrus reticulata) from Dee sites (mg/kg wet weight) were Cd 0.011, Cu 0.59, Fe 2.2, Mn 0.56, Pb 0.18, S 91 and Zn 0.96. Cd and Zn were less than or close to, average Fe and Mn levels were at most twice, Cd 1.8 or 6.5 times, and Pb 8.5 or 72 times the maximum levels in raw oranges reported in the US total diet study (TDS) or the Australian TDS, respectively. Average Cd, Fe, Mn, Pb and Zn levels in the citrus reference samples were found to exceed the maximum reported in one or both TDS surveys. Cu, Fe, Mn, Pb and Zn plant-soil transfer factor (TF) values were < 1 for all agricultural samples from both Dee and reference sites, suggesting relatively poor transfer of these metals from soil to plant. In the case of Cd, TF values for Dee pasture grass and citrus fruit samples were 0.14 and 0.73, respectively; lucerne and lucerne hay from both Dee and reference sites gave TF = 10, suggesting some potential risk to cattle, although this conclusion is tentative because Cd levels were close to or less than the detection limit. TF values for S in lucerne, lucerne hay, pasture grass and mandarin oranges from Dee sites were 18, 14, 3 and 3.6, respectively, indicating that S in soil was readily available to plant or fruit. Sulfur in pasture grass and citrus fruit (TF = 11 for both) was apparently more bioavailable at the reference sites than at the Dee sites (TF = 3.0 for pasture grass; TF = 3.6 for citrus fruit).

Nucleolin forms a specific complex with a fragment of the viral (minus) strand of minute virus of mice DNA.

PubMed Central

Barrijal, S; Perros, M; Gu, Z; Avalosse, B L; Belenguer, P; Amalric, F; Rommelaere, J

1992-01-01

Nucleolin, a major nucleolar protein, forms a specific complex with the genome (a single-stranded DNA molecule of minus polarity) of parvovirus MVMp in vitro. By means of South-western blotting experiments, we mapped the binding site to a 222-nucleotide motif within the non-structural transcription unit, referred to as NUBE (nucleolin-binding element). The specificity of the interaction was confirmed by competitive gel retardation assays. DNaseI and nuclease S1 probing showed that NUBE folds into a secondary structure, in agreement with a computer-assisted conformational prediction. The whole NUBE may be necessary for the interaction with nucleolin, as suggested by the failure of NUBE subfragments to bind the protein and by the nuclease footprinting experiments. The present work extends the previously reported ability of nucleolin to form a specific complex with ribosomal RNA, to a defined DNA substrate. Considering the tropism of MVMp DNA replication for host cell nucleoli, these data raise the possibility that nucleolin may contribute to the regulation of the parvoviral life-cycle. Images PMID:1408821

Transitioning NWChem to the Next Generation of Manycore Machines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bylaska, Eric J.; Apra, E; Kowalski, Karol

The NorthWest chemistry (NWChem) modeling software is a popular molecular chemistry simulation software that was designed from the start to work on massively parallel processing supercomputers [1-3]. It contains an umbrella of modules that today includes self-consistent eld (SCF), second order Møller-Plesset perturbation theory (MP2), coupled cluster (CC), multiconguration self-consistent eld (MCSCF), selected conguration interaction (CI), tensor contraction engine (TCE) many body methods, density functional theory (DFT), time-dependent density functional theory (TDDFT), real-time time-dependent density functional theory, pseudopotential plane-wave density functional theory (PSPW), band structure (BAND), ab initio molecular dynamics (AIMD), Car-Parrinello molecular dynamics (MD), classical MD, hybrid quantum mechanicsmore » molecular mechanics (QM/MM), hybrid ab initio molecular dynamics molecular mechanics (AIMD/MM), gauge independent atomic orbital nuclear magnetic resonance (GIAO NMR), conductor like screening solvation model (COSMO), conductor-like screening solvation model based on density (COSMO-SMD), and reference interaction site model (RISM) solvation models, free energy simulations, reaction path optimization, parallel in time, among other capabilities [4]. Moreover, new capabilities continue to be added with each new release.« less

Computer-Aided Drug Design Methods.

PubMed

Yu, Wenbo; MacKerell, Alexander D

2017-01-01

Computational approaches are useful tools to interpret and guide experiments to expedite the antibiotic drug design process. Structure-based drug design (SBDD) and ligand-based drug design (LBDD) are the two general types of computer-aided drug design (CADD) approaches in existence. SBDD methods analyze macromolecular target 3-dimensional structural information, typically of proteins or RNA, to identify key sites and interactions that are important for their respective biological functions. Such information can then be utilized to design antibiotic drugs that can compete with essential interactions involving the target and thus interrupt the biological pathways essential for survival of the microorganism(s). LBDD methods focus on known antibiotic ligands for a target to establish a relationship between their physiochemical properties and antibiotic activities, referred to as a structure-activity relationship (SAR), information that can be used for optimization of known drugs or guide the design of new drugs with improved activity. In this chapter, standard CADD protocols for both SBDD and LBDD will be presented with a special focus on methodologies and targets routinely studied in our laboratory for antibiotic drug discoveries.

Measurement of cross relaxation between two selected nuclei by synchronous nutation of magnetization in nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Burghardt, Irene; Konrat, Robert; Boulat, Benoit; Vincent, Sébastien J. F.; Bodenhausen, Geoffrey

1993-01-01

A novel technique is described that allows one to measure cross-relaxation rates (Overhauser effects) between two selected nuclei in high-resolution NMR. The two chosen sites are irradiated simultaneously with the sidebands of an amplitude-modulated radio-frequency field, so that their magnetization vectors are forced to undergo a simultaneous motion, which is referred to as ``synchronous nutation.'' From the time-dependence observed for different initial conditions, one may derive cross-relaxation rates, and hence determine internuclear distances. The scalar interactions between the selected spins and other spins belonging to the same coupling network are effectively decoupled. Furthermore, cross relaxation to other spins in the environment does not affect the transient response of the selected spins, which are therefore in effect isolated from their environment in terms of dipolar interactions. The method is particularly suitable to study cases where normal Overhauser effects are perturbed by spin-diffusion effects due to the presence of further spins. The technique is applied to the protein bovine pancreatic trypsin inhibitor.

Augmenting the access grid using augmented reality

NASA Astrophysics Data System (ADS)

Li, Ying

2012-01-01

The Access Grid (AG) targets an advanced collaboration environment, with which multi-party group of people from remote sites can collaborate over high-performance networks. However, current AG still employs VIC (Video Conferencing Tool) to offer only pure video for remote communication, while most AG users expect to collaboratively refer and manipulate the 3D geometric models of grid services' results in live videos of AG session. Augmented Reality (AR) technique can overcome the deficiencies with its characteristics of combining virtual and real, real-time interaction and 3D registration, so it is necessary for AG to utilize AR to better assist the advanced collaboration environment. This paper introduces an effort to augment the AG by adding support for AR capability, which is encapsulated in the node service infrastructure, named as Augmented Reality Service (ARS). The ARS can merge the 3D geometric models of grid services' results and real video scene of AG into one AR environment, and provide the opportunity for distributed AG users to interactively and collaboratively participate in the AR environment with better experience.

Phone, Email and Video Interactions with Characters in an Epidemiology Game: Towards Authenticity

NASA Astrophysics Data System (ADS)

Ney, Muriel; Gonçalves, Celso; Blacheff, Nicolas; Schwartz, Claudine; Bosson, Jean-Luc

A key concern in game-based learning is the level of authenticity that the game requires in order to have an accurate match of what the learners can expect in the real world with what they need to learn. In this paper, we show how four challenges to the designer of authentic games have been addressed in a game for an undergraduate course in a medical school. We focus in particular on the system of interaction with different characters of the game, namely, the patients and a number of professionals. Students use their personal phone and email application, as well as various web sites. First, we analyze the authenticity of the game through four attributes, authenticity of the character, of the content of the feedback, of the mode and channel of communication and of the constraints. Second, the perceived authenticity (by students) is analyzed. The later is threefold and defined by an external authenticity (perceived likeness with a real life reference), an internal authenticity (perceived internal coherence of the proposed situations) and a didactical authenticity (perceived relevance with respect to learning goals).

Quantum return probability of a system of N non-interacting lattice fermions

NASA Astrophysics Data System (ADS)

Krapivsky, P. L.; Luck, J. M.; Mallick, K.

2018-02-01

We consider N non-interacting fermions performing continuous-time quantum walks on a one-dimensional lattice. The system is launched from a most compact configuration where the fermions occupy neighboring sites. We calculate exactly the quantum return probability (sometimes referred to as the Loschmidt echo) of observing the very same compact state at a later time t. Remarkably, this probability depends on the parity of the fermion number—it decays as a power of time for even N, while for odd N it exhibits periodic oscillations modulated by a decaying power law. The exponent also slightly depends on the parity of N, and is roughly twice smaller than what it would be in the continuum limit. We also consider the same problem, and obtain similar results, in the presence of an impenetrable wall at the origin constraining the particles to remain on the positive half-line. We derive closed-form expressions for the amplitudes of the power-law decay of the return probability in all cases. The key point in the derivation is the use of Mehta integrals, which are limiting cases of the Selberg integral.

Structural characterization of framework-gas interactions in the metal-organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction.

PubMed

Gonzalez, Miguel I; Mason, Jarad A; Bloch, Eric D; Teat, Simon J; Gagnon, Kevin J; Morrison, Gregory Y; Queen, Wendy L; Long, Jeffrey R

2017-06-01

The crystallographic characterization of framework-guest interactions in metal-organic frameworks allows the location of guest binding sites and provides meaningful information on the nature of these interactions, enabling the correlation of structure with adsorption behavior. Here, techniques developed for in situ single-crystal X-ray diffraction experiments on porous crystals have enabled the direct observation of CO, CH 4 , N 2 , O 2 , Ar, and P 4 adsorption in Co 2 (dobdc) (dobdc 4- = 2,5-dioxido-1,4-benzenedicarboxylate), a metal-organic framework bearing coordinatively unsaturated cobalt(ii) sites. All these molecules exhibit such weak interactions with the high-spin cobalt(ii) sites in the framework that no analogous molecular structures exist, demonstrating the utility of metal-organic frameworks as crystalline matrices for the isolation and structural determination of unstable species. Notably, the Co-CH 4 and Co-Ar interactions observed in Co 2 (dobdc) represent, to the best of our knowledge, the first single-crystal structure determination of a metal-CH 4 interaction and the first crystallographically characterized metal-Ar interaction. Analysis of low-pressure gas adsorption isotherms confirms that these gases exhibit mainly physisorptive interactions with the cobalt(ii) sites in Co 2 (dobdc), with differential enthalpies of adsorption as weak as -17(1) kJ mol -1 (for Ar). Moreover, the structures of Co 2 (dobdc)·3.8N 2 , Co 2 (dobdc)·5.9O 2 , and Co 2 (dobdc)·2.0Ar reveal the location of secondary (N 2 , O 2 , and Ar) and tertiary (O 2 ) binding sites in Co 2 (dobdc), while high-pressure CO 2 , CO, CH 4 , N 2 , and Ar adsorption isotherms show that these binding sites become more relevant at elevated pressures.

AHR-related activities in a creosote-adapted population of adult atlantic killifish, Fundulus heteroclitus, two decades post-EPA superfund status at the Atlantic Wood Site, Portsmouth, VA USA.

PubMed

Wojdylo, Josephine V; Vogelbein, Wolfgang; Bain, Lisa J; Rice, Charles D

2016-08-01

Atlantic killifish, Fundulus heteroclitus, are adapted to creosote-based PAHs at the US EPA Superfund site known as Atlantic Wood (AW) on the southern branch of the Elizabeth River, VA USA. Subsequent to the discovery of the AW population in the early 1990s, these fish were shown to be recalcitrant to CYP1A induction by PAHs under experimental conditions, and even to the time of this study, killifish embryos collected from the AW site are resistant to developmental deformities typically associated with exposure to PAHs in reference fish. Historically, however, 90 +% of the adult killifish at this site have proliferative hepatic lesions including cancer of varying severity. Several PAHs at this site are known to be ligands for the aryl hydrocarbon receptor (AHR). In this study, AHR-related activities in AW fish collected between 2011 and 2013 were re-examined nearly 2 decades after first discovery. This study shows that CYP1A mRNA expression is three-fold higher in intestines of AW killifish compared to a reference population. Using immunohistochemistry, CYP1A staining in intestines was uniformly positive compared to negative staining in reference fish. Livers of AW killifish were examined by IHC to show that CYP1A and AHR2 protein expression reflect lesions-specific patterns, probably representing differences in intrinsic cellular physiology of the spectrum of proliferative lesions comprising the hepatocarcinogenic process. We also found that COX2 mRNA expression levels were higher in AW fish livers compared to those in the reference population, suggesting a state of chronic inflammation. Overall, these findings suggest that adult AW fish are responsive to AHR signaling, and do express CYP1A and AHR2 proteins in intestines at a level above what was observed in the reference population. Copyright © 2016 Elsevier B.V. All rights reserved.

AHR-related Activities in a Creosote-Adapted Population of Adult Atlantic Killifish, Fundulus heteroclitus, Two Decades Post-EPA Superfund Status at the Atlantic Wood Site, Portsmouth, VA USA

PubMed Central

Wojdylo, Josephine V.; Vogelbein, Wolfgang; Bain, Lisa J.; Rice, Charles D.

2016-01-01

Atlantic killifish, Fundulus heteroclitus, are adapted to creosote-based PAHs at the US EPA Superfund site known as Atlantic Wood (AW) on the southern branch of the Elizabeth River, VA USA. Subsequent to the discovery of the AW population in the early 1990s, these fish were shown to be recalcitrant to CYP1A induction by PAHs under experimental conditions, and even to the time of this study, killifish embryos collected from the AW site are resistant to developmental deformities typically associated with exposure to PAHs in reference fish. Historically, however, 90+% of the adult killifish at this site have proliferative hepatic lesions including cancer of varying severity. Several PAHs at this site are known to be ligands for the aryl hydrocarbon receptor (AHR). In this study, AHR-related activities in AW fish collected between 2011–2013 were re-examined nearly 2 decades after first discovery. This study shows that CYP1A mRNA expression is three-fold higher in intestines of AW killifish compared to a reference population. Using immunohistochemistry, CYP1A staining in intestines was uniformly positive compared to negative staining in reference fish. Livers of AW killifish were examined by IHC to show that CYP1A and AHR2 protein expression reflect lesions-specific patterns, probably representing differences in intrinsic cellular physiology of the spectrum of proliferative lesions comprising the hepatocarcinogenic process. We also found that COX2 mRNA expression levels were higher in AW fish livers compared to those in the reference population, suggesting a state of chronic inflammation. Overall, these findings suggest that adult AW fish are responsive to AHR signaling, and do express CYP1A and AHR2 proteins in intestines at a level above what was observed in the reference population. PMID:27262937

5 CFR 2600.102 - Contact information.

Code of Federal Regulations, 2010 CFR

2010-01-01

.... OGE does not have any regional offices. (b) Web site. Information about OGE and its role in the..., educational and reference purposes are available electronically on OGE's Internet Web site (http://www.usoge.gov). The Web site has copies of various Executive orders, statutes, and regulations that together...

5 CFR 2600.102 - Contact information.

Code of Federal Regulations, 2014 CFR

2014-01-01

..., educational and reference purposes are available electronically on OGE's Internet Web site (http://www.usoge.gov). The Web site has copies of various Executive orders, statutes, and regulations that together.... OGE does not have any regional offices. (b) Web site. Information about OGE and its role in the...

5 CFR 2600.102 - Contact information.

Code of Federal Regulations, 2012 CFR

2012-01-01

..., educational and reference purposes are available electronically on OGE's Internet Web site (http://www.usoge.gov). The Web site has copies of various Executive orders, statutes, and regulations that together.... OGE does not have any regional offices. (b) Web site. Information about OGE and its role in the...

PHOTOACTIVATED TOXICITY IN AMPHIPODS COLLECTED FROM POLYCYCLIC AROMATIC HYDROCARBON-CONTAMINATED SITES

EPA Science Inventory

The risk of photo-activated PAH toxicity in contaminated aquatic systems has not been well characterized. To better indicate this potential, amphipods (Gammarus spp.) were collected from two PAH contaminated sites (Hog Island and USX), as well as a reference site (Chipmunk Cove)...

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.

PubMed

Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C; Joyce, Kevin P; Kovalenko, Andriy

2016-11-01

Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing ([Formula: see text] for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining [Formula: see text] compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to [Formula: see text]. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple [Formula: see text] correction improved agreement with experiment from [Formula: see text] to [Formula: see text], despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling

NASA Astrophysics Data System (ADS)

Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C.; Joyce, Kevin P.; Kovalenko, Andriy

2016-11-01

Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing (R=0.98 for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining R=0.73 compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to R=0.93. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple pK_{ {a}} correction improved agreement with experiment from R=0.54 to R=0.66, despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

Simulation of a cellulose fiber in ionic liquid suggests a synergistic approach to dissolution

DOE PAGES

Mostofian, Barmak; Smith, Jeremy C.; Cheng, Xiaolin

2013-08-11

Ionic liquids dissolve cellulose in a more efficient and environmentally acceptable way than conventional methods in aqueous solution. An understanding of how ionic liquids act on cellulose is essential for improving pretreatment conditions and thus detailed knowledge of the interactions between the cations, anions and cellulose is necessary. Here in this study, to explore ionic liquid effects, we perform all-atom molecular dynamics simulations of a cellulose microfibril in 1-butyl-3-methylimidazolium chloride and analyze site–site interactions and cation orientations at the solute–solvent interface. The results indicate that Cl - anions predominantly interact with cellulose surface hydroxyl groups but with differences between chainsmore » of neighboring cellulose layers, referred to as center and origin chains; Cl- binds to C3-hydroxyls on the origin chains but to C2- and C6-hydroxyls on the center chains, thus resulting in a distinct pattern along glucan chains of the hydrophilic fiber surfaces. In particular, Cl - binding disrupts intrachain O3H–O5 hydrogen bonds on the origin chains but not those on the center chains. In contrast, Bmim + cations stack preferentially on the hydrophobic cellulose surface, governed by non-polar interactions with cellulose. Complementary to the polar interactions between Cl - and cellulose, the stacking interaction between solvent cation rings and cellulose pyranose rings can compensate the interaction between stacked cellulose layers, thus stabilizing detached cellulose chains. Moreover, a frequently occurring intercalation of Bmim + on the hydrophilic surface is observed, which by separating cellulose layers can also potentially facilitate the initiation of fiber disintegration. The results provide a molecular description why ionic liquids are ideal cellulose solvents, the concerted action of anions and cations on the hydrophobic and hydrophilic surfaces being key to the efficient dissolution of the amphiphilic carbohydrate.« less

Traveling reference spectroradiometer for routine quality assurance of spectral solar ultraviolet irradiance measurements.

PubMed

Gröbner, Julian; Schreder, Josef; Kazadzis, Stelios; Bais, Alkiviadis F; Blumthaler, Mario; Görts, Peter; Tax, Rick; Koskela, Tapani; Seckmeyer, Gunther; Webb, Ann R; Rembges, Diana

2005-09-01

A transportable reference spectroradiometer for measuring spectral solar ultraviolet irradiance has been developed and validated. The expanded uncertainty of solar irradiance measurements with this reference spectroradiometer, based on the described methodology, is 8.8% to 4.6%, depending on the wavelength and the solar zenith angle. The accuracy of the spectroradiometer was validated by repeated site visits to two European UV monitoring sites as well as by regular comparisons with the reference spectroradiometer of the European Reference Centre for UV radiation measurements in Ispra, Italy. The spectral solar irradiance measurements of the Quality Assurance of Spectral Ultraviolet Measurements in Europe through the Development of a Transportable Unit (QASUME) spectroradiometer and these three spectroradiometers have agreed to better than 6% during the ten intercomparison campaigns held from 2002 to 2004. If the differences in irradiance scales of as much as 2% are taken into account, the agreement is of the order of 4% over the wavelength range of 300-400 nm.

Electrostatic steering and ionic tethering in enzyme–ligand binding: Insights from simulations

PubMed Central

Wade, Rebecca C.; Gabdoulline, Razif R.; Lüdemann, Susanna K.; Lounnas, Valère

1998-01-01

To bind at an enzyme’s active site, a ligand must diffuse or be transported to the enzyme’s surface, and, if the binding site is buried, the ligand must diffuse through the protein to reach it. Although the driving force for ligand binding is often ascribed to the hydrophobic effect, electrostatic interactions also influence the binding process of both charged and nonpolar ligands. First, electrostatic steering of charged substrates into enzyme active sites is discussed. This is of particular relevance for diffusion-influenced enzymes. By comparing the results of Brownian dynamics simulations and electrostatic potential similarity analysis for triose-phosphate isomerases, superoxide dismutases, and β-lactamases from different species, we identify the conserved features responsible for the electrostatic substrate-steering fields. The conserved potentials are localized at the active sites and are the primary determinants of the bimolecular association rates. Then we focus on a more subtle effect, which we will refer to as “ionic tethering.” We explore, by means of molecular and Brownian dynamics simulations and electrostatic continuum calculations, how salt links can act as tethers between structural elements of an enzyme that undergo conformational change upon substrate binding, and thereby regulate or modulate substrate binding. This is illustrated for the lipase and cytochrome P450 enzymes. Ionic tethering can provide a control mechanism for substrate binding that is sensitive to the electrostatic properties of the enzyme’s surroundings even when the substrate is nonpolar. PMID:9600896

New insights into the interaction between pyrrolyl diketoacids and HIV-1 integrase active site and comparison with RNase H.

PubMed

Corona, Angela; di Leva, Francesco Saverio; Rigogliuso, Giuseppe; Pescatori, Luca; Madia, Valentina Noemi; Subra, Frederic; Delelis, Olivier; Esposito, Francesca; Cadeddu, Marta; Costi, Roberta; Cosconati, Sandro; Novellino, Ettore; di Santo, Roberto; Tramontano, Enzo

2016-10-01

HIV-1 integrase (IN) inhibitors are one of the most recent innovations in the treatment of HIV infection. The selection of drug resistance viral strains is however a still open issue requiring constant efforts to identify new anti-HIV-1 drugs. Pyrrolyl diketo acid (DKA) derivatives inhibit HIV-1 replication by interacting with the Mg 2+ cofactors within the HIV-1 IN active site or within the HIV-1 reverse-transcriptase associated ribonuclease H (RNase H) active site. While the interaction mode of pyrrolyl DKAs with the RNase H active site has been recently reported and substantiated by mutagenesis experiments, their interaction within the IN active site still lacks a detailed understanding. In this study, we investigated the binding mode of four pyrrolyl DKAs to the HIV-1 IN active site by molecular modeling coupled with site-directed mutagenesis studies showing that the DKA pyrrolyl scaffold primarily interacts with the IN amino residues P145, Q146 and Q148. Importantly, the tested DKAs demonstrated good effectiveness against HIV-1 Raltegravir resistant Y143A and N155H INs, thus showing an interaction pattern with relevant differences if compared with the first generation IN inhibitors. These data provide precious insights for the design of new HIV inhibitors active on clinically selected Raltegravir resistant variants. Furthermore, this study provides new structural information to modulate IN and RNase H inhibitory activities for development of dual-acting anti-HIV agents. Copyright © 2016 Elsevier B.V. All rights reserved.

A combined source and site-effect study of ground motions generated by an earthquake in Port au Prince (Haiti)

NASA Astrophysics Data System (ADS)

St Fleur, Sadrac; Courboulex, Francoise; Bertrand, Etienne; Deschamps, Anne; Mercier de Lepinay, Bernard; Prepetit, Claude; Hough, Suzan

2013-04-01

We present the preliminary results of a study with the aim of understanding how some combinations of source and site effects can generate extreme ground motions in the city of Port au Prince. For this study, we have used the recordings of several tens of earthquakes with magnitude larger than 3.0 at 3 to 14 stations from three networks: 3 stations of the Canadian Broad-band network (RNCan), 2 stations of the educational French network (SaE) and 9 stations of the accelerometric network (Bureau des Mines et de l'Energie of Port au Prince and US Geological survey). In order to estimate site effects under each station, we have applied classical spectral ratio methods: The H/V (Horizontal/Vertical) method was first used to select a reference station, which was itself used in a site/reference method. Because a true reference station was not available, we have used successively stations HCEA, then station PAPH, then an average value of 3 stations. In the frequency range studied (0.5 - 20 Hz), we found a site-to-reference ratio up to 3 to 8. However, these values present a large variability, depending on the earthquake recordings. This may indicate that the observed amplification from one station to the other depends not only from the local site effect but also from the source. We then used the same earthquake recordings as Empirical Green's Functions (EGF) in order to simulate the ground motions generated by a virtual earthquake. For this simulation, we have used a stochastic EGF summation method. We have worked on the simulation of a magnitude Mw=6.8 using successively 2 smaller events that occurred on the Leogane fault as EGF. The results obtained using the two events are surprisingly very different. Using the first EGF, we obtained almost the same ground motion values at each station in Port au Prince, whereas with the second EGF, the results highlight large differences. The large variability obtained in the results indicates that a particular combination of site and source effects may be responsible of large ground motions, especially at some given sites.

DARC: Mapping Surface Topography by Ray-Casting for Effective Virtual Screening at Protein Interaction Sites.

PubMed

Gowthaman, Ragul; Miller, Sven A; Rogers, Steven; Khowsathit, Jittasak; Lan, Lan; Bai, Nan; Johnson, David K; Liu, Chunjing; Xu, Liang; Anbanandam, Asokan; Aubé, Jeffrey; Roy, Anuradha; Karanicolas, John

2016-05-12

Protein-protein interactions represent an exciting and challenging target class for therapeutic intervention using small molecules. Protein interaction sites are often devoid of the deep surface pockets presented by "traditional" drug targets, and crystal structures reveal that inhibitors typically engage these sites using very shallow binding modes. As a consequence, modern virtual screening tools developed to identify inhibitors of traditional drug targets do not perform as well when they are instead deployed at protein interaction sites. To address the need for novel inhibitors of important protein interactions, here we introduce an alternate docking strategy specifically designed for this regime. Our method, termed DARC (Docking Approach using Ray-Casting), matches the topography of a surface pocket "observed" from within the protein to the topography "observed" when viewing a potential ligand from the same vantage point. We applied DARC to carry out a virtual screen against the protein interaction site of human antiapoptotic protein Mcl-1 and found that four of the top-scoring 21 compounds showed clear inhibition in a biochemical assay. The Ki values for these compounds ranged from 1.2 to 21 μM, and each had ligand efficiency comparable to promising small-molecule inhibitors of other protein-protein interactions. These hit compounds do not resemble the natural (protein) binding partner of Mcl-1, nor do they resemble any known inhibitors of Mcl-1. Our results thus demonstrate the utility of DARC for identifying novel inhibitors of protein-protein interactions.

Differential gene expression in the siphonophore Nanomia bijuga (Cnidaria) assessed with multiple next-generation sequencing workflows.

PubMed

Siebert, Stefan; Robinson, Mark D; Tintori, Sophia C; Goetz, Freya; Helm, Rebecca R; Smith, Stephen A; Shaner, Nathan; Haddock, Steven H D; Dunn, Casey W

2011-01-01

We investigated differential gene expression between functionally specialized feeding polyps and swimming medusae in the siphonophore Nanomia bijuga (Cnidaria) with a hybrid long-read/short-read sequencing strategy. We assembled a set of partial gene reference sequences from long-read data (Roche 454), and generated short-read sequences from replicated tissue samples that were mapped to the references to quantify expression. We collected and compared expression data with three short-read expression workflows that differ in sample preparation, sequencing technology, and mapping tools. These workflows were Illumina mRNA-Seq, which generates sequence reads from random locations along each transcript, and two tag-based approaches, SOLiD SAGE and Helicos DGE, which generate reads from particular tag sites. Differences in expression results across workflows were mostly due to the differential impact of missing data in the partial reference sequences. When all 454-derived gene reference sequences were considered, Illumina mRNA-Seq detected more than twice as many differentially expressed (DE) reference sequences as the tag-based workflows. This discrepancy was largely due to missing tag sites in the partial reference that led to false negatives in the tag-based workflows. When only the subset of reference sequences that unambiguously have tag sites was considered, we found broad congruence across workflows, and they all identified a similar set of DE sequences. Our results are promising in several regards for gene expression studies in non-model organisms. First, we demonstrate that a hybrid long-read/short-read sequencing strategy is an effective way to collect gene expression data when an annotated genome sequence is not available. Second, our replicated sampling indicates that expression profiles are highly consistent across field-collected animals in this case. Third, the impacts of partial reference sequences on the ability to detect DE can be mitigated through workflow choice and deeper reference sequencing.

Differential Gene Expression in the Siphonophore Nanomia bijuga (Cnidaria) Assessed with Multiple Next-Generation Sequencing Workflows

PubMed Central

Siebert, Stefan; Robinson, Mark D.; Tintori, Sophia C.; Goetz, Freya; Helm, Rebecca R.; Smith, Stephen A.; Shaner, Nathan; Haddock, Steven H. D.; Dunn, Casey W.

2011-01-01

We investigated differential gene expression between functionally specialized feeding polyps and swimming medusae in the siphonophore Nanomia bijuga (Cnidaria) with a hybrid long-read/short-read sequencing strategy. We assembled a set of partial gene reference sequences from long-read data (Roche 454), and generated short-read sequences from replicated tissue samples that were mapped to the references to quantify expression. We collected and compared expression data with three short-read expression workflows that differ in sample preparation, sequencing technology, and mapping tools. These workflows were Illumina mRNA-Seq, which generates sequence reads from random locations along each transcript, and two tag-based approaches, SOLiD SAGE and Helicos DGE, which generate reads from particular tag sites. Differences in expression results across workflows were mostly due to the differential impact of missing data in the partial reference sequences. When all 454-derived gene reference sequences were considered, Illumina mRNA-Seq detected more than twice as many differentially expressed (DE) reference sequences as the tag-based workflows. This discrepancy was largely due to missing tag sites in the partial reference that led to false negatives in the tag-based workflows. When only the subset of reference sequences that unambiguously have tag sites was considered, we found broad congruence across workflows, and they all identified a similar set of DE sequences. Our results are promising in several regards for gene expression studies in non-model organisms. First, we demonstrate that a hybrid long-read/short-read sequencing strategy is an effective way to collect gene expression data when an annotated genome sequence is not available. Second, our replicated sampling indicates that expression profiles are highly consistent across field-collected animals in this case. Third, the impacts of partial reference sequences on the ability to detect DE can be mitigated through workflow choice and deeper reference sequencing. PMID:21829563

Genome wide re-sequencing of newly developed Rice Lines from common wild rice (Oryza rufipogon Griff.) for the identification of NBS-LRR genes.

PubMed

Liu, Wen; Ghouri, Fozia; Yu, Hang; Li, Xiang; Yu, Shuhong; Shahid, Muhammad Qasim; Liu, Xiangdong

2017-01-01

Common wild rice (Oryza rufipogon Griff.) is an important germplasm for rice breeding, which contains many resistance genes. Re-sequencing provides an unprecedented opportunity to explore the abundant useful genes at whole genome level. Here, we identified the nucleotide-binding site leucine-rich repeat (NBS-LRR) encoding genes by re-sequencing of two wild rice lines (i.e. Huaye 1 and Huaye 2) that were developed from common wild rice. We obtained 128 to 147 million reads with approximately 32.5-fold coverage depth, and uniquely covered more than 89.6% (> = 1 fold) of reference genomes. Two wild rice lines showed high SNP (single-nucleotide polymorphisms) variation rate in 12 chromosomes against the reference genomes of Nipponbare (japonica cultivar) and 93-11 (indica cultivar). InDels (insertion/deletion polymorphisms) count-length distribution exhibited normal distribution in the two lines, and most of the InDels were ranged from -5 to 5 bp. With reference to the Nipponbare genome sequence, we detected a total of 1,209,308 SNPs, 161,117 InDels and 4,192 SVs (structural variations) in Huaye 1, and 1,387,959 SNPs, 180,226 InDels and 5,305 SVs in Huaye 2. A total of 44.9% and 46.9% genes exhibited sequence variations in two wild rice lines compared to the Nipponbare and 93-11 reference genomes, respectively. Analysis of NBS-LRR mutant candidate genes showed that they were mainly distributed on chromosome 11, and NBS domain was more conserved than LRR domain in both wild rice lines. NBS genes depicted higher levels of genetic diversity in Huaye 1 than that found in Huaye 2. Furthermore, protein-protein interaction analysis showed that NBS genes mostly interacted with the cytochrome C protein (Os05g0420600, Os01g0885000 and BGIOSGA038922), while some NBS genes interacted with heat shock protein, DNA-binding activity, Phosphoinositide 3-kinase and a coiled coil region. We explored abundant NBS-LRR encoding genes in two common wild rice lines through genome wide re-sequencing, which proved to be a useful tool to exploit elite NBS-LRR genes in wild rice. The data here provide a foundation for future work aimed at dissecting the genetic basis of disease resistance in rice, and the two wild rice lines will be useful germplasm for the molecular improvement of cultivated rice.

Genome wide re-sequencing of newly developed Rice Lines from common wild rice (Oryza rufipogon Griff.) for the identification of NBS-LRR genes

PubMed Central

Yu, Hang; Li, Xiang; Yu, Shuhong; Shahid, Muhammad Qasim

2017-01-01

Common wild rice (Oryza rufipogon Griff.) is an important germplasm for rice breeding, which contains many resistance genes. Re-sequencing provides an unprecedented opportunity to explore the abundant useful genes at whole genome level. Here, we identified the nucleotide-binding site leucine-rich repeat (NBS-LRR) encoding genes by re-sequencing of two wild rice lines (i.e. Huaye 1 and Huaye 2) that were developed from common wild rice. We obtained 128 to 147 million reads with approximately 32.5-fold coverage depth, and uniquely covered more than 89.6% (> = 1 fold) of reference genomes. Two wild rice lines showed high SNP (single-nucleotide polymorphisms) variation rate in 12 chromosomes against the reference genomes of Nipponbare (japonica cultivar) and 93–11 (indica cultivar). InDels (insertion/deletion polymorphisms) count-length distribution exhibited normal distribution in the two lines, and most of the InDels were ranged from -5 to 5 bp. With reference to the Nipponbare genome sequence, we detected a total of 1,209,308 SNPs, 161,117 InDels and 4,192 SVs (structural variations) in Huaye 1, and 1,387,959 SNPs, 180,226 InDels and 5,305 SVs in Huaye 2. A total of 44.9% and 46.9% genes exhibited sequence variations in two wild rice lines compared to the Nipponbare and 93–11 reference genomes, respectively. Analysis of NBS-LRR mutant candidate genes showed that they were mainly distributed on chromosome 11, and NBS domain was more conserved than LRR domain in both wild rice lines. NBS genes depicted higher levels of genetic diversity in Huaye 1 than that found in Huaye 2. Furthermore, protein-protein interaction analysis showed that NBS genes mostly interacted with the cytochrome C protein (Os05g0420600, Os01g0885000 and BGIOSGA038922), while some NBS genes interacted with heat shock protein, DNA-binding activity, Phosphoinositide 3-kinase and a coiled coil region. We explored abundant NBS-LRR encoding genes in two common wild rice lines through genome wide re-sequencing, which proved to be a useful tool to exploit elite NBS-LRR genes in wild rice. The data here provide a foundation for future work aimed at dissecting the genetic basis of disease resistance in rice, and the two wild rice lines will be useful germplasm for the molecular improvement of cultivated rice. PMID:28700714

[Application of SAS macro to evaluated multiplicative and additive interaction in logistic and Cox regression in clinical practices].

PubMed

Nie, Z Q; Ou, Y Q; Zhuang, J; Qu, Y J; Mai, J Z; Chen, J M; Liu, X Q

2016-05-01

Conditional logistic regression analysis and unconditional logistic regression analysis are commonly used in case control study, but Cox proportional hazard model is often used in survival data analysis. Most literature only refer to main effect model, however, generalized linear model differs from general linear model, and the interaction was composed of multiplicative interaction and additive interaction. The former is only statistical significant, but the latter has biological significance. In this paper, macros was written by using SAS 9.4 and the contrast ratio, attributable proportion due to interaction and synergy index were calculated while calculating the items of logistic and Cox regression interactions, and the confidence intervals of Wald, delta and profile likelihood were used to evaluate additive interaction for the reference in big data analysis in clinical epidemiology and in analysis of genetic multiplicative and additive interactions.

Metagenetic community analysis of microbial eukaryotes illuminates biogeographic patterns in deep-sea and shallow water sediments

PubMed Central

Bik, Holly M.; Sung, Way; De Ley, Paul; Baldwin, James G.; Sharma, Jyotsna; Rocha-Olivares, Axayácatl; Thomas, W. Kelley

2011-01-01

Summary Microbial eukaryotes (nematodes, protists, fungi, etc., loosely referred to as meiofauna) are ubiquitous in marine sediments and likely play pivotal roles in maintaining ecosystem function. Although the deep-sea benthos represents one of the world’s largest habitats, we lack a firm understanding of the biodiversity and community interactions amongst meiobenthic organisms in this ecosystem. Within this vast environment key questions concerning the historical genetic structure of species remain a mystery, yet have profound implications for our understanding of global biodiversity and how we perceive and mitigate the impact of environmental change and anthropogenic disturbance. Using a metagenetic approach, we present an assessment of microbial eukaryote communities across depth (shallow water to abyssal) and ocean basins (deep-sea Pacific and Atlantic). Within the 12 sites examined, our results suggest that some taxa can maintain eurybathic ranges and cosmopolitan deep-sea distributions, but the majority of species appear to be regionally restricted. For OCTUs reporting wide distributions, there appears to be a taxonomic bias towards a small subset of taxa in most phyla; such bias may be driven by specific life history traits amongst these organisms. In addition, low genetic divergence between geographically disparate deep-sea sites suggests either a shorter coalescence time between deep-sea regions or slower rates of evolution across this vast oceanic ecosystem. While high-throughput studies allow for broad assessment of genetic patterns across microbial eukaryote communities, intragenomic variation in rRNA gene copies and the patchy coverage of reference databases currently present substantial challenges for robust taxonomic interpretations of eukaryotic datasets. PMID:21985648

Combined estimation of kappa and shear-wave velocity profile of the Japanese rock reference

NASA Astrophysics Data System (ADS)

Poggi, Valerio; Edwards, Benjamin; Fäh, Donat

2013-04-01

The definition of a common soil or rock reference is a key issue in probabilistic seismic hazard analysis (PSHA), microzonation studies, local site-response analysis and, more generally, when predicted or observed ground motion is compared for sites of different characteristics. A scaling procedure, which accounts for a common reference, is then necessary to avoid bias induced by the differences in the local geology. Nowadays methods requiring the definition of a reference condition generally prescribe the characteristic of a rock reference, calibrated using indirect estimation methods based on geology or on surface proxies. In most cases, a unique average shear-wave velocity value is prescribed (e.g. Vs30 = 800m/s as for class A of the EUROCODE8). Some attempts at defining the whole shape of a reference rock velocity profile have been described, often without a clear physical justification of how such a selection was performed. Moreover, in spite of its relevance in affecting the high-frequency part of the spectrum, the definition of the associated reference attenuation is in most cases missing or, when present, still remains quite uncertain. In this study we propose an approach that is based on the comparison between empirical anelastic amplification functions from spectral modeling of earthquakes and average S-wave velocities computed using the quarter-wavelength approach. The method is an extension of the approach originally proposed by Poggi et al. (2011) for Switzerland, and is here applied to Japan. For the analysis we make use of a selection of 36 stiff-soil and rock sites from the Japanese KiK-net network, for which a measured velocity profile is available. With respect to the previous study, however, we now analyze separately the elastic and anelastic contributions of the estimated empirical amplification. In a first step - which is consistent with the original work - only the elastic part of the amplification spectrum is considered. This procedure allows the retrieval of the shape of the velocity profile that is characterized by no relative amplification within the network. Subsequently, the contribution of intrinsic attenuation is analyzed, disaggregated from the anelastic function by using the frequency independent (and site-dependent) attenuation operator kappa (κ). By comparing the dependency of κ with the quarter-wavelength velocity at selected sites, a frequency-dependent predictive equation is established to model the attenuation characteristics of an arbitrary rock or stiff-soil velocity model, such as the reference model obtained in the first step. The result of this application can be used to model the site-dependent attenuation for any rock and stiff-soil site for which an estimation of the velocity profile or its corresponding quarter-wavelength velocity representation is available. As an additional output of the present study, we also propose a simplified method to estimate kappa from the average velocity estimates over the first 30m (Vs30). We provide an example of such predictions for a range of Vs30 velocities up to 2000m/s.

Essential Genes for In Vitro Growth of the Endophyte Herbaspirillum seropedicae SmR1 as Revealed by Transposon Insertion Site Sequencing.

PubMed

Rosconi, Federico; de Vries, Stefan P W; Baig, Abiyad; Fabiano, Elena; Grant, Andrew J

2016-11-15

The interior of plants contains microorganisms (referred to as endophytes) that are distinct from those present at the root surface or in the surrounding soil. Herbaspirillum seropedicae strain SmR1, belonging to the betaproteobacteria, is an endophyte that colonizes crops, including rice, maize, sugarcane, and sorghum. Different approaches have revealed genes and pathways regulated during the interactions of H. seropedicae with its plant hosts. However, functional genomic analysis of transposon (Tn) mutants has been hampered by the lack of genetic tools. Here we successfully employed a combination of in vivo high-density mariner Tn mutagenesis and targeted Tn insertion site sequencing (Tn-seq) in H. seropedicae SmR1. The analysis of multiple gene-saturating Tn libraries revealed that 395 genes are essential for the growth of H. seropedicae SmR1 in tryptone-yeast extract medium. A comparative analysis with the Database of Essential Genes (DEG) showed that 25 genes are uniquely essential in H. seropedicae SmR1. The Tn mutagenesis protocol developed and the gene-saturating Tn libraries generated will facilitate elucidation of the genetic mechanisms of the H. seropedicae endophytic lifestyle. A focal point in the study of endophytes is the development of effective biofertilizers that could help to reduce the input of agrochemicals in croplands. Besides the ability to promote plant growth, a good biofertilizer should be successful in colonizing its host and competing against the native microbiota. By using a systematic Tn-based gene-inactivation strategy and massively parallel sequencing of Tn insertion sites (Tn-seq), it is possible to study the fitness of thousands of Tn mutants in a single experiment. We have applied the combination of these techniques to the plant-growth-promoting endophyte Herbaspirillum seropedicae SmR1. The Tn mutant libraries generated will enable studies into the genetic mechanisms of H. seropedicae-plant interactions. The approach that we have taken is applicable to other plant-interacting bacteria. Copyright © 2016 Rosconi et al.

DFT investigation of the interaction of gold nanoclusters with poly(amidoamine) PAMAM G0 dendrimer

NASA Astrophysics Data System (ADS)

Camarada, M. B.

2016-06-01

The interaction between PAMAM G0 and gold nanoclusters Aun (n = 2, 4, 6, and 8) was studied theoretically at DFT level. Different coordination sites were explored, including internal and superficial coordination. All stable complexes exhibited external interaction with the amine or carbonyl site, while the core site coordination was not favored. The more stable binding of Aun was registered with the terminal amine group, while the binding at the amide site was relatively weaker. The vertical first ionization potential, electron affinity, Fermi level, and the HOMO-LUMO gap of PAMAM and Aun-PAMAM G0 complexes were also analyzed.

Building a Better Web Site: A Practical Guide to Interactivity for Libraries.

ERIC Educational Resources Information Center

Braun, Linda W.

1998-01-01

Describes selected commercial and academic Web sites providing interactive services (Amazon; Jones Library, Amherst, MA; Pine Crest Lower School, Ft. Lauderdale, FL; Barnes & Noble; Cal State's Information Literacy Tutorials; PBS's techknow site; K.I.D.S. Report), and argues that libraries that stop at links and policy statements miss…

Testing the Effectiveness of Interactive Multimedia for Library-User Education

ERIC Educational Resources Information Center

Markey, Karen; Armstrong, Annie; De Groote, Sandy; Fosmire, Michael; Fuderer, Laura; Garrett, Kelly; Georgas, Helen; Sharp, Linda; Smith, Cheri; Spaly, Michael; Warner, Joni E.

2005-01-01

A test of the effectiveness of interactive multimedia Web sites demonstrates that library users' topic knowledge was significantly greater after visiting the sites than before. Library users want more such sites about library services, their majors, and campus life generally. Librarians describe the roles they want to play on multimedia production…

Adventures in Teaching via Interactive Television.

ERIC Educational Resources Information Center

Lund, Steven; Sanderson, Lee

Since 1991, Arizona Western College has provided interactive television (ITV) college courses to other sites within and outside of Yuma County (Arizona). This method of course delivery reaches students at distant sites not large enough to support a class and also allows teachers at several sites to offer courses to a larger student pool. It makes…

76 FR 56295 - Schools and Libraries Universal Service Support Mechanism and a National Broadband Plan for Our...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-13

... other individuals on social networking Web sites and in chat rooms, and regarding cyberbullying... appropriate online behavior, including interacting with other individuals on social networking Web sites and... behavior, including interacting with other individuals on social networking Web sites and in chat rooms and...

Neuronal growth on L- and D-cysteine self-assembled monolayers reveals neuronal chiral sensitivity.

PubMed

Baranes, Koby; Moshe, Hagay; Alon, Noa; Schwartz, Shmulik; Shefi, Orit

2014-05-21

Studying the interaction between neuronal cells and chiral molecules is fundamental for the design of novel biomaterials and drugs. Chirality influences all biological processes that involve intermolecular interaction. One common method used to study cellular interactions with different enantiomeric targets is the use of chiral surfaces. Based on previous studies that demonstrated the importance of cysteine in the nervous system, we studied the effect of L- and D-cysteine on single neuronal growth. L-Cysteine, which normally functions as a neuromodulator or a neuroprotective antioxidant, causes damage at elevated levels, which may occur post trauma. In this study, we grew adult neurons in culture enriched with L- and D-cysteine as free compounds or as self-assembled monolayers of chiral surfaces and examined the effect on the neuronal morphology and adhesion. Notably, we have found that exposure to the L-cysteine enantiomer inhibited, and even prevented, neuronal attachment more severely than exposure to the D-cysteine enantiomer. Atop the L-cysteine surfaces, neuronal growth was reduced and degenerated. Since the cysteine molecules were attached to the surface via the thiol groups, the neuronal membrane was exposed to the molecular chiral site. Thus, our results have demonstrated high neuronal chiral sensitivity, revealing chiral surfaces as indirect regulators of neuronal cells and providing a reference for studying chiral drugs.

Cultivar evaluation and essential test locations identification for sugarcane breeding in China.

PubMed

Luo, Jun; Pan, Yong-Bao; Xu, Liping; Zhang, Hua; Yuan, Zhaonian; Deng, Zuhu; Chen, Rukai; Que, Youxiong

2014-01-01

The discrepancies across test sites and years, along with the interaction between cultivar and environment, make it difficult to accurately evaluate the differences of the sugarcane cultivars. Using a genotype main effect plus genotype-environment interaction (GGE) Biplot software, the yield performance data of seven sugarcane cultivars in the 8th Chinese National Sugarcane Regional Tests were analyzed to identify cultivars recommended for commercial release. Fn38 produced a high and stable sugar yield. Gn02-70 had the lowest cane yield with high stability. Yz06-407 was a high cane yield cultivar with poor stability in sugar yield. Yz05-51 and Lc03-1137 had an unstable cane yield but relatively high sugar yield. Fn39 produced stable high sugar yield with low and unstable cane production. Significantly different sugar and cane yields were observed across seasons due to strong cultivar-environment interactions. Three areas, Guangxi Chongzuo, Guangxi Baise, and Guangxi Hechi, showed better representativeness of cane yield and sugar content than the other four areas. On the other hand, the areas Guangxi Chongzuo, Yunnan Lincang, and Yunnan Baoshan showed strong discrimination ability, while the areas Guangxi Hechi and Guangxi Liuzhou showed poor discrimination ability. This study provides a reference for cultivar evaluation and essential test locations identification for sugarcane breeding in China.

Structural basis for nuclear import complex dissociation by RanGTP.

PubMed

Lee, Soo Jae; Matsuura, Yoshiyuki; Liu, Sai Man; Stewart, Murray

2005-06-02

Nuclear protein import is mediated mainly by the transport factor importin-beta that binds cytoplasmic cargo, most often via the importin-alpha adaptor, and then transports it through nuclear pore complexes. This active transport is driven by disassembly of the import complex by nuclear RanGTP. The switch I and II loops of Ran change conformation with nucleotide state, and regulate its interactions with nuclear trafficking components. Importin-beta consists of 19 HEAT repeats that are based on a pair of antiparallel alpha-helices (referred to as the A- and B-helices). The HEAT repeats stack to yield two C-shaped arches, linked together to form a helicoidal molecule that has considerable conformational flexibility. Here we present the structure of full-length yeast importin-beta (Kap95p or karyopherin-beta) complexed with RanGTP, which provides a basis for understanding the crucial cargo-release step of nuclear import. We identify a key interaction site where the RanGTP switch I loop binds to the carboxy-terminal arch of Kap95p. This interaction produces a change in helicoidal pitch that locks Kap95p in a conformation that cannot bind importin-alpha or cargo. We suggest an allosteric mechanism for nuclear import complex disassembly by RanGTP.

Cultivar Evaluation and Essential Test Locations Identification for Sugarcane Breeding in China

PubMed Central

Luo, Jun; Xu, Liping; Zhang, Hua; Yuan, Zhaonian; Deng, Zuhu; Chen, Rukai

2014-01-01

The discrepancies across test sites and years, along with the interaction between cultivar and environment, make it difficult to accurately evaluate the differences of the sugarcane cultivars. Using a genotype main effect plus genotype-environment interaction (GGE) Biplot software, the yield performance data of seven sugarcane cultivars in the 8th Chinese National Sugarcane Regional Tests were analyzed to identify cultivars recommended for commercial release. Fn38 produced a high and stable sugar yield. Gn02-70 had the lowest cane yield with high stability. Yz06-407 was a high cane yield cultivar with poor stability in sugar yield. Yz05-51 and Lc03-1137 had an unstable cane yield but relatively high sugar yield. Fn39 produced stable high sugar yield with low and unstable cane production. Significantly different sugar and cane yields were observed across seasons due to strong cultivar-environment interactions. Three areas, Guangxi Chongzuo, Guangxi Baise, and Guangxi Hechi, showed better representativeness of cane yield and sugar content than the other four areas. On the other hand, the areas Guangxi Chongzuo, Yunnan Lincang, and Yunnan Baoshan showed strong discrimination ability, while the areas Guangxi Hechi and Guangxi Liuzhou showed poor discrimination ability. This study provides a reference for cultivar evaluation and essential test locations identification for sugarcane breeding in China. PMID:24982939

Softening of the stiffness of bottle-brush polymers by mutual interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bolisetty, S.; Airaud, C.; Rosenfeldt, S.

2007-04-15

We study bottle-brush macromolecules in a good solvent by small-angle neutron scattering (SANS), static light scattering (SLS), and dynamic light scattering (DLS). These polymers consist of a linear backbone to which long side chains are chemically grafted. The backbone contains about 1600 monomer units (weight average) and every second monomer unit carries side chains with approximately 60 monomer units. The SLS and SANS data extrapolated to infinite dilution lead to the form factor of the polymer that can be described in terms of a wormlike chain with a contour length of 380 nm and a persistence length of 17.5 nm.more » An analysis of the DLS data confirms these model parameters. The scattering intensities taken at finite concentration can be modeled using the polymer reference interaction site model. It reveals a softening of the bottle-brush polymers caused by their mutual interaction. We demonstrate that the persistence decreases from 17.5 nm down to 5 nm upon increasing the concentration from dilute solution to the highest concentration (40.59 g/l) under consideration. The observed softening of the chains is comparable to the theoretically predicted decrease of the electrostatic persistence length of linear polyelectrolyte chains at finite concentrations.« less

Characterisation of a reference site for quantifying uncertainties related to soil sampling.

PubMed

Barbizzi, Sabrina; de Zorzi, Paolo; Belli, Maria; Pati, Alessandra; Sansone, Umberto; Stellato, Luisa; Barbina, Maria; Deluisa, Andrea; Menegon, Sandro; Coletti, Valter

2004-01-01

The paper reports a methodology adopted to face problems related to quality assurance in soil sampling. The SOILSAMP project, funded by the Environmental Protection Agency of Italy (APAT), is aimed at (i) establishing protocols for soil sampling in different environments; (ii) assessing uncertainties associated with different soil sampling methods in order to select the "fit-for-purpose" method; (iii) qualifying, in term of trace elements spatial variability, a reference site for national and international inter-comparison exercises. Preliminary results and considerations are illustrated.

VERSE: a novel approach to detect virus integration in host genomes through reference genome customization.

PubMed

Wang, Qingguo; Jia, Peilin; Zhao, Zhongming

2015-01-01

Fueled by widespread applications of high-throughput next generation sequencing (NGS) technologies and urgent need to counter threats of pathogenic viruses, large-scale studies were conducted recently to investigate virus integration in host genomes (for example, human tumor genomes) that may cause carcinogenesis or other diseases. A limiting factor in these studies, however, is rapid virus evolution and resulting polymorphisms, which prevent reads from aligning readily to commonly used virus reference genomes, and, accordingly, make virus integration sites difficult to detect. Another confounding factor is host genomic instability as a result of virus insertions. To tackle these challenges and improve our capability to identify cryptic virus-host fusions, we present a new approach that detects Virus intEgration sites through iterative Reference SEquence customization (VERSE). To the best of our knowledge, VERSE is the first approach to improve detection through customizing reference genomes. Using 19 human tumors and cancer cell lines as test data, we demonstrated that VERSE substantially enhanced the sensitivity of virus integration site detection. VERSE is implemented in the open source package VirusFinder 2 that is available at http://bioinfo.mc.vanderbilt.edu/VirusFinder/.

n-Dodecyl β-D-maltoside specifically competes with general anesthetics for anesthetic binding sites.

PubMed

Xu, Longhe; Matsunaga, Felipe; Xi, Jin; Li, Min; Ma, Jingyuan; Liu, Renyu

2014-01-01

We recently demonstrated that the anionic detergent sodium dodecyl sulfate (SDS) specifically interacts with the anesthetic binding site in horse spleen apoferritin, a soluble protein which models anesthetic binding sites in receptors. This raises the possibility of other detergents similarly interacting with and occluding such sites from anesthetics, thereby preventing the proper identification of novel anesthetic binding sites. n-Dodecyl β-D-maltoside (DDM) is a non-ionic detergent commonly used during protein-anesthetic studies because of its mild and non-denaturing properties. In this study, we demonstrate that SDS and DDM occupy anesthetic binding sites in the model proteins human serum albumin (HSA) and horse spleen apoferritin and thereby inhibit the binding of the general anesthetics propofol and isoflurane. DDM specifically interacts with HSA (Kd = 40 μM) with a lower affinity than SDS (Kd = 2 μM). DDM exerts all these effects while not perturbing the native structures of either model protein. Computational calculations corroborated the experimental results by demonstrating that the binding sites for DDM and both anesthetics on the model proteins overlapped. Collectively, our results indicate that DDM and SDS specifically interact with anesthetic binding sites and may thus prevent the identification of novel anesthetic sites. Special precaution should be taken when undertaking and interpreting results from protein-anesthetic investigations utilizing detergents like SDS and DDM.

Site index curves for young-growth California white fir on the western slopes of the Sierra Nevada

Treesearch

K. Leroy Dolph

1987-01-01

Site index curves for young-growth California white fir were developed by using stem analysis data from 77 dominant and codominant trees growing in mixed-coniferstands on the western slopes of the Sierra Nevada. Site index reference age is 50 years at breast height. A family of 11 curves is presented for site index estimation. For more precise estimates, the site index...