WorldWideScience

Sample records for cavity sites predictions

  1. CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction.

    Science.gov (United States)

    Xu, Youjun; Wang, Shiwei; Hu, Qiwan; Gao, Shuaishi; Ma, Xiaomin; Zhang, Weilin; Shen, Yihang; Chen, Fangjin; Lai, Luhua; Pei, Jianfeng

    2018-05-10

    CavityPlus is a web server that offers protein cavity detection and various functional analyses. Using protein three-dimensional structural information as the input, CavityPlus applies CAVITY to detect potential binding sites on the surface of a given protein structure and rank them based on ligandability and druggability scores. These potential binding sites can be further analysed using three submodules, CavPharmer, CorrSite, and CovCys. CavPharmer uses a receptor-based pharmacophore modelling program, Pocket, to automatically extract pharmacophore features within cavities. CorrSite identifies potential allosteric ligand-binding sites based on motion correlation analyses between cavities. CovCys automatically detects druggable cysteine residues, which is especially useful to identify novel binding sites for designing covalent allosteric ligands. Overall, CavityPlus provides an integrated platform for analysing comprehensive properties of protein binding cavities. Such analyses are useful for many aspects of drug design and discovery, including target selection and identification, virtual screening, de novo drug design, and allosteric and covalent-binding drug design. The CavityPlus web server is freely available at http://repharma.pku.edu.cn/cavityplus or http://www.pkumdl.cn/cavityplus.

  2. Nest Site Characteristics of Cavity Nesting Birds in Central Missouri

    Science.gov (United States)

    Jeffery D. Brawn; Bernice Tannenbaum; Keith E. Evans

    1984-01-01

    Two study sites in central Missouri oak-hickory forests were searched for nest sites of cavity nesting birds. Researchers located and measured 133 nests of 11 species. Cavity nesting bird habitat selection is affected by both snag characteristics and vegetation structure.

  3. Predictive model for functional consequences of oral cavity tumour resections

    NARCIS (Netherlands)

    van Alphen, M.J.A.; Hageman, T.A.G.; Hageman, Tijmen Antoon Geert; Smeele, L.E.; Balm, Alfonsus Jacobus Maria; Balm, A.J.M.; van der Heijden, Ferdinand; Lemke, H.U.

    2013-01-01

    The prediction of functional consequences after treatment of large oral cavity tumours is mainly based on the size and location of the tumour. However, patient specific factors play an important role in the functional outcome, making the current predictions unreliable and subjective. An objective

  4. Prediction of work piece geometry in electrochemical cavity sinking

    Energy Technology Data Exchange (ETDEWEB)

    Riggs, J B; Muller, R H; Tobias, C W

    1981-01-01

    A computer-implemented model for predicting ECM work piece geometry has been developed and experimentally verified with a commercial ECM machine for cavity sinking in copper and 302-stainless steel with 2N KNO/sub 3/ electrolyte. Constant tool piece feed rates of 7-10 x 10/sup -4/ cm/s, and applied voltages of 11-25 V were used. The model predicts the dependence of work piece geometry on operating conditions and on the electrochemical and physical properties of the metal-electrolyte pair. Comparison of eight equilibrium and six unsteady state experimental cavity profiles in copper showed satisfactory agreement with predictions, as did five equilibrium profiles for cavity sinking in 302-stainless steel.

  5. Lack of nest site limitation in a cavity-nesting bird community

    Science.gov (United States)

    Jeffry R. Waters; Barry R. Noon; Jared Verner

    1990-01-01

    We examined the relationship between nest site availability and density of secondary cavitynesting birds by blocking cavities in an oak-pine (Quercus spp.-Pinus sp. ) woodland. In 1986 and 1987we blocked 67 and 106 cavities, respectively, on a 37-ha plot. The combined density of secondary cavity-nesting birds did not decline...

  6. Predictions of laminar natural convection in heated cavities

    International Nuclear Information System (INIS)

    Winters, K.H.

    1982-06-01

    Several examples of laminar, natural convection in heated cavities are discussed with illustrative calculations. These include convection in a square cavity at high Rayleigh number; in a narrow cavity at moderate aspect ratio; in a rectangular cavity heated from below; in a trapezoidal cavity, and in a rectangular cavity containing a conducting obstruction. The steady equations for the velocity, pressure and temperature are solved in the Boussinesq approximation, using a standard Galerkin formulation of the finite-element method. (author)

  7. Climate Prediction Center - Site Index

    Science.gov (United States)

    Weather Service NWS logo - Click to go to the NWS home page Climate Prediction Center Home Site Map News Means Bulletins Annual Winter Stratospheric Ozone Climate Diagnostics Bulletin (Most Recent) Climate (Hazards Outlook) Climate Assessment: Dec. 1999-Feb. 2000 (Seasonal) Climate Assessment: Mar-May 2000

  8. Temperature characteristics of winter roost-sites for birds and mammals: tree cavities and anthropogenic alternatives

    Science.gov (United States)

    Grüebler, Martin U.; Widmer, Silv; Korner-Nievergelt, Fränzi; Naef-Daenzer, Beat

    2014-07-01

    The microclimate of potential roost-sites is likely to be a crucial determinant in the optimal roost-site selection of endotherms, in particular during the winter season of temperate zones. Available roost-sites for birds and mammals in European high trunk orchards are mainly tree cavities, wood stacks and artificial nest boxes. However, little is known about the microclimatic patterns inside cavities and thermal advantages of using these winter roost-sites. Here, we simultaneously investigate the thermal patterns of winter roost-sites in relation to winter ambient temperature and their insulation capacity. While tree cavities and wood stacks strongly buffered the daily cycle of temperature changes, nest boxes showed low buffering capacity. The buffering effect of tree cavities was stronger at extreme ambient temperatures compared to temperatures around zero. Heat sources inside roosts amplified Δ T (i.e., the difference between inside and outside temperatures), particularly in the closed roosts of nest boxes and tree cavities, and less in the open wood stacks with stronger circulation of air. Positive Δ T due to the installation of a heat source increased in cold ambient temperatures. These results suggest that orchard habitats in winter show a spatiotemporal mosaic of sites providing different thermal benefits varying over time and in relation to ambient temperatures. At cold temperatures tree cavities provide significantly higher thermal benefits than nest boxes or wood stacks. Thus, in winter ecology of hole-using endotherms, the availability of tree cavities may be an important characteristic of winter habitat quality.

  9. Nest-site selection by cavity-nesting birds in relation to postfire salvage logging

    Science.gov (United States)

    Victoria A. Saab; Robin E. Russell; Jonathan G. Dudley

    2009-01-01

    Large wildfire events in coniferous forests of the western United States are often followed by postfire timber harvest. The long-term impacts of postfire timber harvest on fire-associated cavity-nesting bird species are not well documented. We studied nest-site selection by cavity-nesting birds over a 10-year period (1994-2003), representing 1-11 years after fire, on...

  10. Spherical and cylindrical cavity expansion models based prediction of penetration depths of concrete targets.

    Directory of Open Access Journals (Sweden)

    Xiaochao Jin

    Full Text Available The cavity expansion theory is most widely used to predict the depth of penetration of concrete targets. The main purpose of this work is to clarify the differences between the spherical and cylindrical cavity expansion models and their scope of application in predicting the penetration depths of concrete targets. The factors that influence the dynamic cavity expansion process of concrete materials were first examined. Based on numerical results, the relationship between expansion pressure and velocity was established. Then the parameters in the Forrestal's formula were fitted to have a convenient and effective prediction of the penetration depth. Results showed that both the spherical and cylindrical cavity expansion models can accurately predict the depth of penetration when the initial velocity is lower than 800 m/s. However, the prediction accuracy decreases with the increasing of the initial velocity and diameters of the projectiles. Based on our results, it can be concluded that when the initial velocity is higher than the critical velocity, the cylindrical cavity expansion model performs better than the spherical cavity expansion model in predicting the penetration depth, while when the initial velocity is lower than the critical velocity the conclusion is quite the contrary. This work provides a basic principle for selecting the spherical or cylindrical cavity expansion model to predict the penetration depth of concrete targets.

  11. Artificial Cavities and Nest Site Selection by Puerto Rican Parrots: a Multiscale Assessment

    Directory of Open Access Journals (Sweden)

    Thomas H. White, Jr.

    2006-12-01

    Full Text Available We examined nest site selection by Puerto Rican Parrots, a secondary cavity nester, at several spatial scales using the nest entrance as the central focal point relative to 20 habitat and spatial variables. The Puerto Rican Parrot is unique in that, since 2001, all known nesting in the wild has occurred in artificial cavities, which also provided us with an opportunity to evaluate nest site selection without confounding effects of the actual nest cavity characteristics. Because of the data limitations imposed by the small population size of this critically endangered endemic species, we employed a distribution-free statistical simulation approach to assess site selection relative to characteristics of used and unused nesting sites. Nest sites selected by Puerto Rican Parrots were characterized by greater horizontal and vertical visibility from the nest entrance, greater density of mature sierra palms, and a more westerly and leeward orientation of nest entrances than unused sites. Our results suggest that nest site selection in this species is an adaptive response to predation pressure, to which the parrots respond by selecting nest sites offering advantages in predator detection and avoidance at all stages of the nesting cycle. We conclude that identifying and replicating the “nest gestalt” of successful nesting sites may facilitate conservation efforts for this and other endangered avian species.

  12. SitesIdentify: a protein functional site prediction tool

    Directory of Open Access Journals (Sweden)

    Doig Andrew J

    2009-11-01

    Full Text Available Abstract Background The rate of protein structures being deposited in the Protein Data Bank surpasses the capacity to experimentally characterise them and therefore computational methods to analyse these structures have become increasingly important. Identifying the region of the protein most likely to be involved in function is useful in order to gain information about its potential role. There are many available approaches to predict functional site, but many are not made available via a publicly-accessible application. Results Here we present a functional site prediction tool (SitesIdentify, based on combining sequence conservation information with geometry-based cleft identification, that is freely available via a web-server. We have shown that SitesIdentify compares favourably to other functional site prediction tools in a comparison of seven methods on a non-redundant set of 237 enzymes with annotated active sites. Conclusion SitesIdentify is able to produce comparable accuracy in predicting functional sites to its closest available counterpart, but in addition achieves improved accuracy for proteins with few characterised homologues. SitesIdentify is available via a webserver at http://www.manchester.ac.uk/bioinformatics/sitesidentify/

  13. Exploiting protein flexibility to predict the location of allosteric sites

    Directory of Open Access Journals (Sweden)

    Panjkovich Alejandro

    2012-10-01

    Full Text Available Abstract Background Allostery is one of the most powerful and common ways of regulation of protein activity. However, for most allosteric proteins identified to date the mechanistic details of allosteric modulation are not yet well understood. Uncovering common mechanistic patterns underlying allostery would allow not only a better academic understanding of the phenomena, but it would also streamline the design of novel therapeutic solutions. This relatively unexplored therapeutic potential and the putative advantages of allosteric drugs over classical active-site inhibitors fuel the attention allosteric-drug research is receiving at present. A first step to harness the regulatory potential and versatility of allosteric sites, in the context of drug-discovery and design, would be to detect or predict their presence and location. In this article, we describe a simple computational approach, based on the effect allosteric ligands exert on protein flexibility upon binding, to predict the existence and position of allosteric sites on a given protein structure. Results By querying the literature and a recently available database of allosteric sites, we gathered 213 allosteric proteins with structural information that we further filtered into a non-redundant set of 91 proteins. We performed normal-mode analysis and observed significant changes in protein flexibility upon allosteric-ligand binding in 70% of the cases. These results agree with the current view that allosteric mechanisms are in many cases governed by changes in protein dynamics caused by ligand binding. Furthermore, we implemented an approach that achieves 65% positive predictive value in identifying allosteric sites within the set of predicted cavities of a protein (stricter parameters set, 0.22 sensitivity, by combining the current analysis on dynamics with previous results on structural conservation of allosteric sites. We also analyzed four biological examples in detail, revealing

  14. Prediction of glycosylation sites using random forests

    Directory of Open Access Journals (Sweden)

    Hirst Jonathan D

    2008-11-01

    Full Text Available Abstract Background Post translational modifications (PTMs occur in the vast majority of proteins and are essential for function. Prediction of the sequence location of PTMs enhances the functional characterisation of proteins. Glycosylation is one type of PTM, and is implicated in protein folding, transport and function. Results We use the random forest algorithm and pairwise patterns to predict glycosylation sites. We identify pairwise patterns surrounding glycosylation sites and use an odds ratio to weight their propensity of association with modified residues. Our prediction program, GPP (glycosylation prediction program, predicts glycosylation sites with an accuracy of 90.8% for Ser sites, 92.0% for Thr sites and 92.8% for Asn sites. This is significantly better than current glycosylation predictors. We use the trepan algorithm to extract a set of comprehensible rules from GPP, which provide biological insight into all three major glycosylation types. Conclusion We have created an accurate predictor of glycosylation sites and used this to extract comprehensible rules about the glycosylation process. GPP is available online at http://comp.chem.nottingham.ac.uk/glyco/.

  15. The importance of illumination in nest site choice and nest characteristics of cavity nesting birds.

    Science.gov (United States)

    Podkowa, Paweł; Surmacki, Adrian

    2017-05-02

    Light has a significant impact on many aspects of avian biology, physiology and behaviour. An increasing number of studies show that illumination may positively influences birds' offspring fitness by e.g. acceleration of embryo development, stimulation of skeleton growth or regulation of circadian rhythm. Because nest cavities have especially low illumination, suitable light levels may be especially important for species which nest there. We may therefore expect that birds breeding in relatively dim conditions should prefer brighter nest sites and/or evolve behavioral mechanisms to secure sufficient light levels in the nest. Using nest boxes with modified internal illumination, we experimentally tested whether light regime is a cue for nest site selection of secondary cavity-nesting species. Additionally, we investigated whether nest building strategies are tuned to internal illumination. Our results demonstrate that, nest boxes with elevated illumination were chosen twice as often as dark nest boxes. Moreover, birds built higher nests in dark nest boxes than birds in boxes with elevated illumination, which suggests a mechanism of compensating for low light conditions. Our results provide the first experimental support for the idea that nest site choice and nest building behaviour in cavity-nesting birds are influenced by ambient illumination.

  16. Prediction of multipactor in the iris region of rf deflecting mode cavities

    Directory of Open Access Journals (Sweden)

    G. Burt

    2011-12-01

    Full Text Available Multipactor is a major cause of field limitation in many superconducting rf cavities. Multipacting is a particular issue for deflecting mode cavities as the typical behavior is not well studied, understood, or parametrized. In this paper an approximate analytical model for the prediction of multipactor in the iris region of deflecting mode cavities is developed. This new but simple model yields a clear explanation on the broad range of rf field levels over which the multipactor can occur. The principle multipactors under investigation here are two-point multipactors associated with cyclotron motion in the cavity’s rf magnetic field. The predictions from the model are compared to numerical simulations and good agreement is obtained. The results are also compared to experimental results previously reported by KEK and are also found in good agreement.

  17. Dynamics of water molecules in the active-site cavity of human cytochromes P450

    DEFF Research Database (Denmark)

    Rydberg, Patrik; Rod, Thomas Holm; Olsen, Lars

    2007-01-01

    We have studied the dynamics of water molecules in six crystal structures of four human cytochromes P450, 2A6, 2C8, 2C9, and 3A4, with molecular dynamics simulations. In the crystal structures, only a few water molecules are seen and the reported sizes of the active-site cavity vary a lot....... In the simulations, the cavities are completely filled with water molecules, although with approximately 20% lower density than in bulk water. The 2A6 protein differs from the other three in that it has a very small cavity with only two water molecules and no exchange with the surroundings. The other three proteins...... channels, through which there is a quite frequent exchange of water molecules (one molecule is exchanged every 30-200 ps), except in 2A6. Most of the channels are observed also in the crystal structures, but two to three channels in each protein open only during the simulations. There are no water...

  18. Characterization of Microbial Communities in Subsurface Nuclear Blast Cavities of the Nevada Test Site

    Energy Technology Data Exchange (ETDEWEB)

    Moser, Duane P.; Bruckner, Jim; Fisher, Jen; Czerwinski, Ken; Russell, Charles E.; Zavarin, Mavrik

    2010-09-01

    This U.S. Department of Energy (DOE) Environmental Remediation Sciences Project (ERSP) was designed to test fundamental hypotheses concerning the existence and nature of indigenous microbial populations of Nevada Test Site subsurface nuclear test/detonation cavities. Now called Subsurface Biogeochemical Research (SBR), this program’s Exploratory Research (ER) element, which funded this research, is designed to support high risk, high potential reward projects. Here, five cavities (GASCON, CHANCELLOR, NASH, ALEMAN, and ALMENDRO) and one tunnel (U12N) were sampled using bailers or pumps. Molecular and cultivation-based techniques revealed bacterial signatures at five sites (CHANCELLOR may be lifeless). SSU rRNA gene libraries contained diverse and divergent microbial sequences affiliated with known metal- and sulfur-cycling microorganisms, organic compound degraders, microorganisms from deep mines, and bacteria involved in selenate reduction and arsenite oxidation. Close relatives of Desulforudis audaxviator, a microorganism thought to subsist in the terrestrial deep subsurface on H2 and SO42- produced by radiochemical reactions, was detected in the tunnel waters. NTS-specific media formulations were used to culture and quantify nitrate-, sulfate-, iron-reducing, fermentative, and methanogenic microorganisms. Given that redox manipulations mediated by microorganisms can impact the mobility of DOE contaminants, our results should have implications for management strategies at this and other DOE sites.

  19. Characterization of microbial communities in subsurface nuclear blast cavities of the Nevada Test Site

    Energy Technology Data Exchange (ETDEWEB)

    Moser, Duane P; Czerwinski, Ken; Russell, Charles E; Zavarin, Mavrik

    2010-07-13

    This US Department of Energy (DOE) Environmental Remediation Sciences Project (ERSP) was designed to test fundamental hypotheses concerning the existence and nature of indigenous microbial populations of Nevada Test Site subsurface nuclear test/detonation cavities. Now called Subsurface Biogeochemical Research (SBR), this program's Exploratory Research (ER) element, which funded this research, is designed to support high risk, high potential reward projects. Here, five cavities (GASCON, CHANCELLOR, NASH, ALEMAN, and ALMENDRO) and one tunnel (U12N) were sampled using bailers or pumps. Molecular and cultivation-based techniques revealed bacterial signatures at five sites (CHANCELLOR may be lifeless). SSU rRNA gene libraries contained diverse and divergent microbial sequences affiliated with known metal- and sulfur-cycling microorganisms, organic compound degraders, microorganisms from deep mines, and bacteria involved in selenate reduction and arsenite oxidation. Close relatives of Desulforudis audaxviator, a microorganism thought to subsist in the terrestrial deep subsurface on H2 and SO42- produced by radiochemical reactions, was detected in the tunnel waters. NTS-specific media formulations were used to culture and quantify nitrate-, sulfate-, iron-reducing, fermentative, and methanogenic microorganisms. Given that redox manipulations mediated by microorganisms can impact the mobility of DOE contaminants, our results should have implications for management strategies at this and other DOE sites.

  20. Characterization of Microbial Communities in Subsurface Nuclear Blast Cavities of the Nevada Test Site

    International Nuclear Information System (INIS)

    Moser, Duane P.; Bruckner, Jim; Fisher, Jen; Czerwinski, Ken; Russell, Charles E.; Zavarin, Mavrik

    2010-01-01

    This U.S. Department of Energy (DOE) Environmental Remediation Sciences Project (ERSP) was designed to test fundamental hypotheses concerning the existence and nature of indigenous microbial populations of Nevada Test Site subsurface nuclear test/detonation cavities. Now called Subsurface Biogeochemical Research (SBR), this program's Exploratory Research (ER) element, which funded this research, is designed to support high risk, high potential reward projects. Here, five cavities (GASCON, CHANCELLOR, NASH, ALEMAN, and ALMENDRO) and one tunnel (U12N) were sampled using bailers or pumps. Molecular and cultivation-based techniques revealed bacterial signatures at five sites (CHANCELLOR may be lifeless). SSU rRNA gene libraries contained diverse and divergent microbial sequences affiliated with known metal- and sulfur-cycling microorganisms, organic compound degraders, microorganisms from deep mines, and bacteria involved in selenate reduction and arsenite oxidation. Close relatives of Desulforudis audaxviator, a microorganism thought to subsist in the terrestrial deep subsurface on H 2 and SO 4 2- produced by radiochemical reactions, was detected in the tunnel waters. NTS-specific media formulations were used to culture and quantify nitrate-, sulfate-, iron-reducing, fermentative, and methanogenic microorganisms. Given that redox manipulations mediated by microorganisms can impact the mobility of DOE contaminants, our results should have implications for management strategies at this and other DOE sites.

  1. Prediction of the Lorentz Force Detuning and Pressure Sensitivity for a Pillbox Cavity

    Energy Technology Data Exchange (ETDEWEB)

    Parise, M. [Fermilab

    2018-04-23

    The Lorentz Force Detuning (LFD) and the pressure sensitivity are two critical concerns during the design of a Superconducting Radio Frequency (SRF) cavity resonator. The mechanical deformation of the bare Niobium cavity walls, due to the electromagnetic fields and fluctuation of the external pressure in the Helium bath, can dynamically and statically detune the frequency of the cavity and can cause beam phase errors. The frequency shift can be compensated by additional RF power, that is required to maintain the accelerating gradient, or by sophisticated tuning mechanisms and control-compensation algorithms. Passive stiffening is one of the simplest and most effective tools that can be used during the early design phase, capable of satisfying the Radio Frequency (RF) requisites. This approach requires several multiphysics simulations as well as a deep mechanical and RF knowledge of the phenomena involved. In this paper, is presented a new numerical model for a pillbox cavity that can predict the frequency shifts caused by the LFD and external pressure. This method allows to greatly reduce the computational effort, which is necessary to meet the RF requirements and to keep track of the frequency shifts without using the time consuming multiphysics simulations.

  2. Text mining improves prediction of protein functional sites.

    Directory of Open Access Journals (Sweden)

    Karin M Verspoor

    Full Text Available We present an approach that integrates protein structure analysis and text mining for protein functional site prediction, called LEAP-FS (Literature Enhanced Automated Prediction of Functional Sites. The structure analysis was carried out using Dynamics Perturbation Analysis (DPA, which predicts functional sites at control points where interactions greatly perturb protein vibrations. The text mining extracts mentions of residues in the literature, and predicts that residues mentioned are functionally important. We assessed the significance of each of these methods by analyzing their performance in finding known functional sites (specifically, small-molecule binding sites and catalytic sites in about 100,000 publicly available protein structures. The DPA predictions recapitulated many of the functional site annotations and preferentially recovered binding sites annotated as biologically relevant vs. those annotated as potentially spurious. The text-based predictions were also substantially supported by the functional site annotations: compared to other residues, residues mentioned in text were roughly six times more likely to be found in a functional site. The overlap of predictions with annotations improved when the text-based and structure-based methods agreed. Our analysis also yielded new high-quality predictions of many functional site residues that were not catalogued in the curated data sources we inspected. We conclude that both DPA and text mining independently provide valuable high-throughput protein functional site predictions, and that integrating the two methods using LEAP-FS further improves the quality of these predictions.

  3. Text Mining Improves Prediction of Protein Functional Sites

    Science.gov (United States)

    Cohn, Judith D.; Ravikumar, Komandur E.

    2012-01-01

    We present an approach that integrates protein structure analysis and text mining for protein functional site prediction, called LEAP-FS (Literature Enhanced Automated Prediction of Functional Sites). The structure analysis was carried out using Dynamics Perturbation Analysis (DPA), which predicts functional sites at control points where interactions greatly perturb protein vibrations. The text mining extracts mentions of residues in the literature, and predicts that residues mentioned are functionally important. We assessed the significance of each of these methods by analyzing their performance in finding known functional sites (specifically, small-molecule binding sites and catalytic sites) in about 100,000 publicly available protein structures. The DPA predictions recapitulated many of the functional site annotations and preferentially recovered binding sites annotated as biologically relevant vs. those annotated as potentially spurious. The text-based predictions were also substantially supported by the functional site annotations: compared to other residues, residues mentioned in text were roughly six times more likely to be found in a functional site. The overlap of predictions with annotations improved when the text-based and structure-based methods agreed. Our analysis also yielded new high-quality predictions of many functional site residues that were not catalogued in the curated data sources we inspected. We conclude that both DPA and text mining independently provide valuable high-throughput protein functional site predictions, and that integrating the two methods using LEAP-FS further improves the quality of these predictions. PMID:22393388

  4. Nest-site competition between invasive and native cavity nesting birds and its implication for conservation.

    Science.gov (United States)

    Charter, Motti; Izhaki, Ido; Ben Mocha, Yitzchak; Kark, Salit

    2016-10-01

    Nesting cavities are often a limited resource that multiple species use. There is an ongoing discussion on whether invasive cavity nesting birds restrict the availability of this key limited resource. While the answer to this question has important conservation implications, little experimental work has been done to examine it. Here, we aimed to experimentally test whether alien cavity nesting birds affect the occupancy of cavities and the resulting breeding success of native cavity breeders in a large urban park located in Tel Aviv, Israel. Over three breeding seasons, we manipulated the entry size of nest boxes and compared the occupancy and breeding success of birds in nest boxes of two treatments. These included nest boxes with large-entrance and small-entrance holes. The large-entrance holes allowed access for both the native and invasive birds (the two main aliens in the park are the common mynas and rose-ringed parakeets). The smaller-entrance boxes, on the other hand, allowed only the smaller sized native cavity breeders (great tits and house sparrows) to enter the boxes but prevented the alien species from entering. We found that the large-entrance nest boxes were occupied by five different bird species, comprising three natives (great tit, house sparrow, Scops owl) and two invasive species (common myna, rose-ringed parakeet) while the small-entrance boxes were only occupied by the two native species. The alien common mynas and rose-ringed parakeets occupied 77.5% of the large-entrance nest boxes whereas native species, mainly great tits, occupied less than 9% of the large-entrance boxes and 36.5% of the small-entrance boxes. When examining the occupancy of those cavities that were not occupied by the aliens, natives occupied both the small and large-entrance nest boxes equally. Three quarters (78%) of the great tits breeding in the large-entrance boxes were usurped by common mynas during the breeding season and as a result breeding success was

  5. Nest-site habitat of cavity-nesting birds at the San Joaquin Experimental Range

    Science.gov (United States)

    Kathryn L. Purcell; Jared. Verner

    2008-01-01

    Detailed information about the nesting habitats of birds, including those needed for successful nesting, can provide a better understanding of the ecological factors that permit coexistence of different species and may aid in conservation efforts. From 1989 through 1994, we studied the nesting habitat of secondary cavity-nesting birds in oak woodlands at the San...

  6. Temperature dependence of the hydrated electron's excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models

    Science.gov (United States)

    Zho, Chen-Chen; Farr, Erik P.; Glover, William J.; Schwartz, Benjamin J.

    2017-08-01

    We use one-electron non-adiabatic mixed quantum/classical simulations to explore the temperature dependence of both the ground-state structure and the excited-state relaxation dynamics of the hydrated electron. We compare the results for both the traditional cavity picture and a more recent non-cavity model of the hydrated electron and make definite predictions for distinguishing between the different possible structural models in future experiments. We find that the traditional cavity model shows no temperature-dependent change in structure at constant density, leading to a predicted resonance Raman spectrum that is essentially temperature-independent. In contrast, the non-cavity model predicts a blue-shift in the hydrated electron's resonance Raman O-H stretch with increasing temperature. The lack of a temperature-dependent ground-state structural change of the cavity model also leads to a prediction of little change with temperature of both the excited-state lifetime and hot ground-state cooling time of the hydrated electron following photoexcitation. This is in sharp contrast to the predictions of the non-cavity model, where both the excited-state lifetime and hot ground-state cooling time are expected to decrease significantly with increasing temperature. These simulation-based predictions should be directly testable by the results of future time-resolved photoelectron spectroscopy experiments. Finally, the temperature-dependent differences in predicted excited-state lifetime and hot ground-state cooling time of the two models also lead to different predicted pump-probe transient absorption spectroscopy of the hydrated electron as a function of temperature. We perform such experiments and describe them in Paper II [E. P. Farr et al., J. Chem. Phys. 147, 074504 (2017)], and find changes in the excited-state lifetime and hot ground-state cooling time with temperature that match well with the predictions of the non-cavity model. In particular, the experiments

  7. Prediction of Underground Cavity Roof Collapse using the Hoek–Brown Failure Criterion

    DEFF Research Database (Denmark)

    Suchowerska, A. M.; Merifield, R. S.; Carter, J. P.

    2012-01-01

    Preventing roof collapse in underground cavities is a challenge to geotechnical engineering. In this study, three independent methods have been used to evaluate the roof collapse of underground rectangular cavities for a range of geometries and rock properties. The rock mass strength has been des...

  8. A preliminary study on sentinel lymph node biopsy. Feasibility and predictive ability in oral cavity cancer

    International Nuclear Information System (INIS)

    Chikamatsu, Kazuaki; Kamada, Hideo; Ninomiya, Hiroshi; Takahashi, Katsumasa; Sakurai, Tsutomu; Oriuchi, Noboru; Furuya, Nobuhiko

    2004-01-01

    The main factor that affects the prognosis of patients with head and neck cancer (HNC) is regional lymph node metastases. For this reason, the accurate evaluation of neck metastases is required for neck management. This study investigates the sentinel lymph node identification and the accuracy of the histopathology of the sentinel lymph node in patients with HNC. Eleven patients with histologically proven oral squamous cell carcinoma accessible to radiocolloid injection were enrolled in this study. Using both lymphoscintigraphy and a handheld gamma probe, the sentinel lymph node could be identified in all 11 patients. Subsequently, the sentinel lymph nodes and the neck dissection specimen were examined for lymph node involvement due to tumor. The histopathology of sentinel lymph nodes was consistent with the pathological N classification in all 11 patients. Furthermore, the histopathology of sentinel lymph nodes was superior to physical examination, computed tomography (CT), magnetic resonance imaging (MRI) and positron emission tomography (PET) scan. The results of this study indicate that sentinel lymph node identification is technically feasible and predicts cervical metastases in patients with oral cavity cancer. This may be a useful diagnostic technique for identifying lymph node disease in staging lymph node dissection. (author)

  9. Prediction of break-out sound from a rectangular cavity via an elastically mounted panel.

    Science.gov (United States)

    Wang, Gang; Li, Wen L; Du, Jingtao; Li, Wanyou

    2016-02-01

    The break-out sound from a cavity via an elastically mounted panel is predicted in this paper. The vibroacoustic system model is derived based on the so-called spectro-geometric method in which the solution over each sub-domain is invariably expressed as a modified Fourier series expansion. Unlike the traditional modal superposition methods, the continuity of the normal velocities is faithfully enforced on the interfaces between the flexible panel and the (interior and exterior) acoustic media. A fully coupled vibro-acoustic system is obtained by taking into account the strong coupling between the vibration of the elastic panel and the sound fields on the both sides. The typical time-consuming calculations of quadruple integrals encountered in determining the sound power radiation from a panel has been effectively avoided by reducing them, via discrete cosine transform, into a number of single integrals which are subsequently calculated analytically in a closed form. Several numerical examples are presented to validate the system model, understand the effects on the sound transmissions of panel mounting conditions, and demonstrate the dependence on the size of source room of the "measured" transmission loss.

  10. Cavities in bromeliad stolons used as nest sites by Euglossa cordata (Hymenoptera, Euglossini

    Directory of Open Access Journals (Sweden)

    Samuel Boff

    2018-02-01

    Full Text Available Herein, we describe nests of the orchid bee Euglossa cordata that were constructed in cavities of Aechmea distichantha (Bromeliaceae stolons. We present data about nest and cell size, number of adults and brood, and analyses of larval provisions. The presence of E. cordata carcasses embedded in the resin of nest partitions indicates that these nests were used by multiple generations. Based on larval provisioning, E. cordata is polylectic and relies heavily on a few plant species.

  11. Cavity quantum electrodynamics studies with site-controlled InGaAs quantum dots integrated into high quality microcavities

    DEFF Research Database (Denmark)

    Reitzenstein, S.; Schneider, C.; Albert, F.

    2011-01-01

    Semiconductor quantum dots (QDs) are fascinating nanoscopic structures for photonics and future quantum information technology. However, the random position of self-organized QDs inhibits a deterministic coupling in devices relying on cavity quantum electrodynamics (cQED) effects which complicates......, e.g., the large scale fabrication of quantum light sources. As a result, large efforts focus on the growth and the device integration of site-controlled QDs. We present the growth of low density arrays of site-controlled In(Ga)As QDs where shallow etched nanoholes act as nucleation sites...... linewidth, the oscillator strength and the quantum efficiency. A stacked growth of strain coupled SCQDs forming on wet chemically etched nanoholes provide the smallest linewidth with an average value of 210 μeV. Using time resolved photoluminescence studies on samples with a varying thickness of the capping...

  12. Positive-Unlabeled Learning for Pupylation Sites Prediction

    Directory of Open Access Journals (Sweden)

    Ming Jiang

    2016-01-01

    Full Text Available Pupylation plays a key role in regulating various protein functions as a crucial posttranslational modification of prokaryotes. In order to understand the molecular mechanism of pupylation, it is important to identify pupylation substrates and sites accurately. Several computational methods have been developed to identify pupylation sites because the traditional experimental methods are time-consuming and labor-sensitive. With the existing computational methods, the experimentally annotated pupylation sites are used as the positive training set and the remaining nonannotated lysine residues as the negative training set to build classifiers to predict new pupylation sites from the unknown proteins. However, the remaining nonannotated lysine residues may contain pupylation sites which have not been experimentally validated yet. Unlike previous methods, in this study, the experimentally annotated pupylation sites were used as the positive training set whereas the remaining nonannotated lysine residues were used as the unlabeled training set. A novel method named PUL-PUP was proposed to predict pupylation sites by using positive-unlabeled learning technique. Our experimental results indicated that PUL-PUP outperforms the other methods significantly for the prediction of pupylation sites. As an application, PUL-PUP was also used to predict the most likely pupylation sites in nonannotated lysine sites.

  13. Four-Phase Dendritic Model for the Prediction of Macrosegregation, Shrinkage Cavity, and Porosity in a 55-Ton Ingot

    Science.gov (United States)

    Ge, Honghao; Ren, Fengli; Li, Jun; Han, Xiujun; Xia, Mingxu; Li, Jianguo

    2017-03-01

    A four-phase dendritic model was developed to predict the macrosegregation, shrinkage cavity, and porosity during solidification. In this four-phase dendritic model, some important factors, including dendritic structure for equiaxed crystals, melt convection, crystals sedimentation, nucleation, growth, and shrinkage of solidified phases, were taken into consideration. Furthermore, in this four-phase dendritic model, a modified shrinkage criterion was established to predict shrinkage porosity (microporosity) of a 55-ton industrial Fe-3.3 wt pct C ingot. The predicted macrosegregation pattern and shrinkage cavity shape are in a good agreement with experimental results. The shrinkage cavity has a significant effect on the formation of positive segregation in hot top region, which generally forms during the last stage of ingot casting. The dendritic equiaxed grains also play an important role on the formation of A-segregation. A three-dimensional laminar structure of A-segregation in industrial ingot was, for the first time, predicted by using a 3D case simulation.

  14. Photon correlations in a two-site nonlinear cavity system under coherent drive and dissipation

    International Nuclear Information System (INIS)

    Ferretti, Sara; Andreani, Lucio Claudio; Tuereci, Hakan E.; Gerace, Dario

    2010-01-01

    We calculate the normalized second-order correlation function for a system of two tunnel-coupled photonic resonators, each one exhibiting a single-photon nonlinearity of the Kerr type. We employ a full quantum formulation: The master equation for the model, which takes into account both a coherent continuous drive and radiative as well as nonradiative dissipation channels, is solved analytically in steady state through a perturbative approach, and the results are compared to exact numerical simulations. The degree of second-order coherence displays values between 0 and 1, and divides the diagram identified by the two energy scales of the system - the tunneling and the nonlinear Kerr interaction - into two distinct regions separated by a crossover. When the tunneling term dominates over the nonlinear one, the system state is delocalized over both cavities, and the emitted light is coherent. In the opposite limit, photon blockade sets in, and the system shows an insulatorlike state with photons locked on each cavity, identified by antibunching of emitted light.

  15. A grammar inference approach for predicting kinase specific phosphorylation sites.

    Science.gov (United States)

    Datta, Sutapa; Mukhopadhyay, Subhasis

    2015-01-01

    Kinase mediated phosphorylation site detection is the key mechanism of post translational mechanism that plays an important role in regulating various cellular processes and phenotypes. Many diseases, like cancer are related with the signaling defects which are associated with protein phosphorylation. Characterizing the protein kinases and their substrates enhances our ability to understand the mechanism of protein phosphorylation and extends our knowledge of signaling network; thereby helping us to treat such diseases. Experimental methods for predicting phosphorylation sites are labour intensive and expensive. Also, manifold increase of protein sequences in the databanks over the years necessitates the improvement of high speed and accurate computational methods for predicting phosphorylation sites in protein sequences. Till date, a number of computational methods have been proposed by various researchers in predicting phosphorylation sites, but there remains much scope of improvement. In this communication, we present a simple and novel method based on Grammatical Inference (GI) approach to automate the prediction of kinase specific phosphorylation sites. In this regard, we have used a popular GI algorithm Alergia to infer Deterministic Stochastic Finite State Automata (DSFA) which equally represents the regular grammar corresponding to the phosphorylation sites. Extensive experiments on several datasets generated by us reveal that, our inferred grammar successfully predicts phosphorylation sites in a kinase specific manner. It performs significantly better when compared with the other existing phosphorylation site prediction methods. We have also compared our inferred DSFA with two other GI inference algorithms. The DSFA generated by our method performs superior which indicates that our method is robust and has a potential for predicting the phosphorylation sites in a kinase specific manner.

  16. A Grammar Inference Approach for Predicting Kinase Specific Phosphorylation Sites

    Science.gov (United States)

    Datta, Sutapa; Mukhopadhyay, Subhasis

    2015-01-01

    Kinase mediated phosphorylation site detection is the key mechanism of post translational mechanism that plays an important role in regulating various cellular processes and phenotypes. Many diseases, like cancer are related with the signaling defects which are associated with protein phosphorylation. Characterizing the protein kinases and their substrates enhances our ability to understand the mechanism of protein phosphorylation and extends our knowledge of signaling network; thereby helping us to treat such diseases. Experimental methods for predicting phosphorylation sites are labour intensive and expensive. Also, manifold increase of protein sequences in the databanks over the years necessitates the improvement of high speed and accurate computational methods for predicting phosphorylation sites in protein sequences. Till date, a number of computational methods have been proposed by various researchers in predicting phosphorylation sites, but there remains much scope of improvement. In this communication, we present a simple and novel method based on Grammatical Inference (GI) approach to automate the prediction of kinase specific phosphorylation sites. In this regard, we have used a popular GI algorithm Alergia to infer Deterministic Stochastic Finite State Automata (DSFA) which equally represents the regular grammar corresponding to the phosphorylation sites. Extensive experiments on several datasets generated by us reveal that, our inferred grammar successfully predicts phosphorylation sites in a kinase specific manner. It performs significantly better when compared with the other existing phosphorylation site prediction methods. We have also compared our inferred DSFA with two other GI inference algorithms. The DSFA generated by our method performs superior which indicates that our method is robust and has a potential for predicting the phosphorylation sites in a kinase specific manner. PMID:25886273

  17. Site and stand analysis for growth prediction of Eucalyptus grandis ...

    African Journals Online (AJOL)

    The integration of site information with that of tree growth is of special importance in Zululand, where sustainable supply of timber is essential for local processing and export commitments. Site prediction growth models need to be based on easily attainable input variables that are suitable for operational implementation by ...

  18. Variable context Markov chains for HIV protease cleavage site prediction.

    Science.gov (United States)

    Oğul, Hasan

    2009-06-01

    Deciphering the knowledge of HIV protease specificity and developing computational tools for detecting its cleavage sites in protein polypeptide chain are very desirable for designing efficient and specific chemical inhibitors to prevent acquired immunodeficiency syndrome. In this study, we developed a generative model based on a generalization of variable order Markov chains (VOMC) for peptide sequences and adapted the model for prediction of their cleavability by certain proteases. The new method, called variable context Markov chains (VCMC), attempts to identify the context equivalence based on the evolutionary similarities between individual amino acids. It was applied for HIV-1 protease cleavage site prediction problem and shown to outperform existing methods in terms of prediction accuracy on a common dataset. In general, the method is a promising tool for prediction of cleavage sites of all proteases and encouraged to be used for any kind of peptide classification problem as well.

  19. Pripper: prediction of caspase cleavage sites from whole proteomes

    Directory of Open Access Journals (Sweden)

    Salmi Jussi

    2010-06-01

    Full Text Available Abstract Background Caspases are a family of proteases that have central functions in programmed cell death (apoptosis and inflammation. Caspases mediate their effects through aspartate-specific cleavage of their target proteins, and at present almost 400 caspase substrates are known. There are several methods developed to predict caspase cleavage sites from individual proteins, but currently none of them can be used to predict caspase cleavage sites from multiple proteins or entire proteomes, or to use several classifiers in combination. The possibility to create a database from predicted caspase cleavage products for the whole genome could significantly aid in identifying novel caspase targets from tandem mass spectrometry based proteomic experiments. Results Three different pattern recognition classifiers were developed for predicting caspase cleavage sites from protein sequences. Evaluation of the classifiers with quality measures indicated that all of the three classifiers performed well in predicting caspase cleavage sites, and when combining different classifiers the accuracy increased further. A new tool, Pripper, was developed to utilize the classifiers and predict the caspase cut sites from an arbitrary number of input sequences. A database was constructed with the developed tool, and it was used to identify caspase target proteins from tandem mass spectrometry data from two different proteomic experiments. Both known caspase cleavage products as well as novel cleavage products were identified using the database demonstrating the usefulness of the tool. Pripper is not restricted to predicting only caspase cut sites, but it gives the possibility to scan protein sequences for any given motif(s and predict cut sites once a suitable cut site prediction model for any other protease has been developed. Pripper is freely available and can be downloaded from http://users.utu.fi/mijopi/Pripper. Conclusions We have developed Pripper, a tool for

  20. Predictive Temperature Equations for Three Sites at the Grand Canyon

    Science.gov (United States)

    McLaughlin, Katrina Marie Neitzel

    Climate data collected at a number of automated weather stations were used to create a series of predictive equations spanning from December 2009 to May 2010 in order to better predict the temperatures along hiking trails within the Grand Canyon. The central focus of this project is how atmospheric variables interact and can be combined to predict the weather in the Grand Canyon at the Indian Gardens, Phantom Ranch, and Bright Angel sites. Through the use of statistical analysis software and data regression, predictive equations were determined. The predictive equations are simple or multivariable best fits that reflect the curvilinear nature of the data. With data analysis software curves resulting from the predictive equations were plotted along with the observed data. Each equation's reduced chi2 was determined to aid the visual examination of the predictive equations' ability to reproduce the observed data. From this information an equation or pair of equations was determined to be the best of the predictive equations. Although a best predictive equation for each month and season was determined for each site, future work may refine equations to result in a more accurate predictive equation.

  1. A systems biology approach to transcription factor binding site prediction.

    Directory of Open Access Journals (Sweden)

    Xiang Zhou

    2010-03-01

    Full Text Available The elucidation of mammalian transcriptional regulatory networks holds great promise for both basic and translational research and remains one the greatest challenges to systems biology. Recent reverse engineering methods deduce regulatory interactions from large-scale mRNA expression profiles and cross-species conserved regulatory regions in DNA. Technical challenges faced by these methods include distinguishing between direct and indirect interactions, associating transcription regulators with predicted transcription factor binding sites (TFBSs, identifying non-linearly conserved binding sites across species, and providing realistic accuracy estimates.We address these challenges by closely integrating proven methods for regulatory network reverse engineering from mRNA expression data, linearly and non-linearly conserved regulatory region discovery, and TFBS evaluation and discovery. Using an extensive test set of high-likelihood interactions, which we collected in order to provide realistic prediction-accuracy estimates, we show that a careful integration of these methods leads to significant improvements in prediction accuracy. To verify our methods, we biochemically validated TFBS predictions made for both transcription factors (TFs and co-factors; we validated binding site predictions made using a known E2F1 DNA-binding motif on E2F1 predicted promoter targets, known E2F1 and JUND motifs on JUND predicted promoter targets, and a de novo discovered motif for BCL6 on BCL6 predicted promoter targets. Finally, to demonstrate accuracy of prediction using an external dataset, we showed that sites matching predicted motifs for ZNF263 are significantly enriched in recent ZNF263 ChIP-seq data.Using an integrative framework, we were able to address technical challenges faced by state of the art network reverse engineering methods, leading to significant improvement in direct-interaction detection and TFBS-discovery accuracy. We estimated the accuracy

  2. Human Splice-Site Prediction with Deep Neural Networks.

    Science.gov (United States)

    Naito, Tatsuhiko

    2018-04-18

    Accurate splice-site prediction is essential to delineate gene structures from sequence data. Several computational techniques have been applied to create a system to predict canonical splice sites. For classification tasks, deep neural networks (DNNs) have achieved record-breaking results and often outperformed other supervised learning techniques. In this study, a new method of splice-site prediction using DNNs was proposed. The proposed system receives an input sequence data and returns an answer as to whether it is splice site. The length of input is 140 nucleotides, with the consensus sequence (i.e., "GT" and "AG" for the donor and acceptor sites, respectively) in the middle. Each input sequence model is applied to the pretrained DNN model that determines the probability that an input is a splice site. The model consists of convolutional layers and bidirectional long short-term memory network layers. The pretraining and validation were conducted using the data set tested in previously reported methods. The performance evaluation results showed that the proposed method can outperform the previous methods. In addition, the pattern learned by the DNNs was visualized as position frequency matrices (PFMs). Some of PFMs were very similar to the consensus sequence. The trained DNN model and the brief source code for the prediction system are uploaded. Further improvement will be achieved following the further development of DNNs.

  3. Foraging habitat quality constrains effectiveness of artificial nest-site provisioning in reversing population declines in a colonial cavity nester.

    Directory of Open Access Journals (Sweden)

    Inês Catry

    Full Text Available Among birds, breeding numbers are mainly limited by two resources of major importance: food supply and nest-site availability. Here, we investigated how differences in land-use and nest-site availability affected the foraging behaviour, breeding success and population trends of the colonial cavity-dependent lesser kestrel Falco naumanni inhabiting two protected areas. Both areas were provided with artificial nests to increase nest-site availability. The first area is a pseudo-steppe characterized by traditional extensive cereal cultivation, whereas the second area is a previous agricultural zone now abandoned or replaced by forested areas. In both areas, lesser kestrels selected extensive agricultural habitats, such as fallows and cereal fields, and avoided scrubland and forests. In the second area, tracked birds from one colony travelled significantly farther distances (6.2 km ± 1.7 vs. 1.8 km ± 0.4 and 1.9 km ± 0.6 and had significant larger foraging-ranges (144 km(2 vs. 18.8 and 14.8 km(2 when compared to the birds of two colonies in the extensive agricultural area. Longer foraging trips were reflected in lower chick feeding rates, lower fledging success and reduced chick fitness. Availability and occupation of artificial nests was high in both areas but population followed opposite trends, with a positive increment recorded exclusively in the first area with a large proportion of agricultural areas. Progressive habitat loss around the studied colony in the second area (suitable habitat decreased from 32% in 1990 to only 7% in 2002 is likely the main driver of the recorded population decline and suggests that the effectiveness of bird species conservation based on nest-site provisioning is highly constrained by habitat quality in the surrounding areas. Therefore, the conservation of cavity-dependent species may be enhanced firstly by finding the best areas of remaining habitat and secondly by increasing the carrying capacity of high

  4. Possible salt mine and brined cavity sites for radioactive waste disposal in the northeastern southern peninsula of Michigan

    International Nuclear Information System (INIS)

    Landes, K.K.; Bourne, H.L.

    1976-01-01

    A reconnaissance report on the possibilities for disposal of radioactive waste covers Michigan only, and is more detailed than an earlier one involving the northeastern states. Revised ''ground rules'' for pinpointing both mine and dissolved salt cavern sites for waste disposal include environmental, geologic, and economic factors. The Michigan basin is a structural bowl of Paleozoic sediments resting on downwarped Precambrian rocks. The center of the bowl is in Clare and Gladwin Counties, a short distance north of the middle of the Southern Peninsula. The strata dip toward this central area, and some stratigraphic sequences, including especially the salt-containing Silurian section, increase considerably in thickness in that direction. Lesser amounts of salt are also present in the north central part of the Lower Peninsula. Michigan has been an oil and gas producing state since 1925 and widespread exploration has had two effects on the selection of waste disposal sites: (1) large areas are leased for oil and gas; and (2) the borehole concentrations, whether producing wells, dry holes, or industrial brine wells that penetrated the salt section, should be avoided. Two types of nuclear waste, low level and high level, can be stored in man-made openings in salt beds. The storage facilities are created by (1) the development of salt mines where the depths are less than 3000 ft, and (2) cavities produced by pumping water into a salt bed, and bringing brine back out. The high level waste disposal must be confined to mines of limited depth, but the low level wastes can be accommodated in brine cavities at any depth. Seven potential prospects have been investigated and are described in detail

  5. Primary Tumor Site as a Predictor of Treatment Outcome for Definitive Radiotherapy of Advanced-Stage Oral Cavity Cancers

    International Nuclear Information System (INIS)

    Lin, Chien-Yu; Wang, Hung-Ming; Kang, Chung-Jan; Lee, Li-Yu; Huang, Shiang-Fu; Fan, Kang-Hsing; Chen, Eric Yen-Chao

    2010-01-01

    Purpose: To evaluate the outcome of definitive radiotherapy (RT) for oral cavity cancers and to assess prognostic factors. Methods and Materials: Definitive RT was performed on 115 patients with oral cavity cancers at Stages III, IVA, and IVB, with a distribution of 6%, 47%, and 47%, respectively. The median dose of RT was 72Gy (range, 62-76Gy). Cisplatin-based chemotherapy was administered to 95% of the patients. Eleven patients underwent salvage surgery after RT failure. Results: Eight-eight (76.5%) patients responded partially and 23 (20%) completely; of the patients who responded, 18% and 57%, respectively, experienced a durable effect of treatment. The 3-year overall survival, disease-specific survival, and progression-free survival were 22%, 27%, and 25%, respectively. The 3-year PFS rates based on the primary tumor sites were as follows: Group I (buccal, mouth floor, and gum) 51%, Group II (retromolar and hard palate) 18%, and Group III (tongue and lip) 6% (p < 0.0001). The 3-year progression-free survival was 41% for N0 patients and 19% for patients with N+ disease (p = 0.012). The T stage and RT technique did not affect survival. The patients who underwent salvage surgery demonstrated better 3-year overall survival and disease-specific survival (53% vs. 19%, p = 0.015 and 53% vs. 24%, p = 0.029, respectively). Subsite group, N+, and salvage surgery were the only significant prognostic factors for survival after multivariate analysis. Conclusion: The primary tumor site and neck stage are prognostic predictors in advanced-stage oral cancer patients who received radical RT. The primary tumor extension and RT technique did not influence survival.

  6. Effect of Curved Radial Vane Cavity Arrangements on Predicted Inter-Turbine Burner (ITB) Performance

    Science.gov (United States)

    2007-06-01

    in the cavity, and the vaporization, mixing of fuel and air, and combustion amount of unburned fuel shedding out of the becomes very challenging ...the payoff UUC/ITB concepts becomes critical. UCC/ITB was provided to define the geometry and served flamy hco de wih a ane as the staring point for...for the development and equations for mass, momentum, energy, chemical species, modification of the computer- aided design models, as and turbulence were

  7. Fast dynamics perturbation analysis for prediction of protein functional sites

    Directory of Open Access Journals (Sweden)

    Cohn Judith D

    2008-01-01

    Full Text Available Abstract Background We present a fast version of the dynamics perturbation analysis (DPA algorithm to predict functional sites in protein structures. The original DPA algorithm finds regions in proteins where interactions cause a large change in the protein conformational distribution, as measured using the relative entropy Dx. Such regions are associated with functional sites. Results The Fast DPA algorithm, which accelerates DPA calculations, is motivated by an empirical observation that Dx in a normal-modes model is highly correlated with an entropic term that only depends on the eigenvalues of the normal modes. The eigenvalues are accurately estimated using first-order perturbation theory, resulting in a N-fold reduction in the overall computational requirements of the algorithm, where N is the number of residues in the protein. The performance of the original and Fast DPA algorithms was compared using protein structures from a standard small-molecule docking test set. For nominal implementations of each algorithm, top-ranked Fast DPA predictions overlapped the true binding site 94% of the time, compared to 87% of the time for original DPA. In addition, per-protein recall statistics (fraction of binding-site residues that are among predicted residues were slightly better for Fast DPA. On the other hand, per-protein precision statistics (fraction of predicted residues that are among binding-site residues were slightly better using original DPA. Overall, the performance of Fast DPA in predicting ligand-binding-site residues was comparable to that of the original DPA algorithm. Conclusion Compared to the original DPA algorithm, the decreased run time with comparable performance makes Fast DPA well-suited for implementation on a web server and for high-throughput analysis.

  8. A GIS approach for predicting prehistoric site locations.

    Energy Technology Data Exchange (ETDEWEB)

    Kuiper, J. A.; Wescott, K. L.

    1999-08-04

    Use of geographic information system (GIS)-based predictive mapping to locate areas of high potential for prehistoric archaeological sites is becoming increasingly popular among archaeologists. Knowledge of the environmental variables influencing activities of original inhabitants is used to produce GIS layers representing the spatial distribution of those variables. The GIS layers are then analyzed to identify locations where combinations of environmental variables match patterns observed at known prehistoric sites. Presented are the results of a study to locate high-potential areas for prehistoric sites in a largely unsurveyed area of 39,000 acres in the Upper Chesapeake Bay region, including details of the analysis process. The project used environmental data from over 500 known sites in other parts of the region and the results corresponded well with known sites in the study area.

  9. Transcription factor binding sites prediction based on modified nucleosomes.

    Directory of Open Access Journals (Sweden)

    Mohammad Talebzadeh

    Full Text Available In computational methods, position weight matrices (PWMs are commonly applied for transcription factor binding site (TFBS prediction. Although these matrices are more accurate than simple consensus sequences to predict actual binding sites, they usually produce a large number of false positive (FP predictions and so are impoverished sources of information. Several studies have employed additional sources of information such as sequence conservation or the vicinity to transcription start sites to distinguish true binding regions from random ones. Recently, the spatial distribution of modified nucleosomes has been shown to be associated with different promoter architectures. These aligned patterns can facilitate DNA accessibility for transcription factors. We hypothesize that using data from these aligned and periodic patterns can improve the performance of binding region prediction. In this study, we propose two effective features, "modified nucleosomes neighboring" and "modified nucleosomes occupancy", to decrease FP in binding site discovery. Based on these features, we designed a logistic regression classifier which estimates the probability of a region as a TFBS. Our model learned each feature based on Sp1 binding sites on Chromosome 1 and was tested on the other chromosomes in human CD4+T cells. In this work, we investigated 21 histone modifications and found that only 8 out of 21 marks are strongly correlated with transcription factor binding regions. To prove that these features are not specific to Sp1, we combined the logistic regression classifier with the PWM, and created a new model to search TFBSs on the genome. We tested the model using transcription factors MAZ, PU.1 and ELF1 and compared the results to those using only the PWM. The results show that our model can predict Transcription factor binding regions more successfully. The relative simplicity of the model and capability of integrating other features make it a superior method

  10. Cofactor-binding sites in proteins of deviating sequence: comparative analysis and clustering in torsion angle, cavity, and fold space.

    Science.gov (United States)

    Stegemann, Björn; Klebe, Gerhard

    2012-02-01

    Small molecules are recognized in protein-binding pockets through surface-exposed physicochemical properties. To optimize binding, they have to adopt a conformation corresponding to a local energy minimum within the formed protein-ligand complex. However, their conformational flexibility makes them competent to bind not only to homologous proteins of the same family but also to proteins of remote similarity with respect to the shape of the binding pockets and folding pattern. Considering drug action, such observations can give rise to unexpected and undesired cross reactivity. In this study, datasets of six different cofactors (ADP, ATP, NAD(P)(H), FAD, and acetyl CoA, sharing an adenosine diphosphate moiety as common substructure), observed in multiple crystal structures of protein-cofactor complexes exhibiting sequence identity below 25%, have been analyzed for the conformational properties of the bound ligands, the distribution of physicochemical properties in the accommodating protein-binding pockets, and the local folding patterns next to the cofactor-binding site. State-of-the-art clustering techniques have been applied to group the different protein-cofactor complexes in the different spaces. Interestingly, clustering in cavity (Cavbase) and fold space (DALI) reveals virtually the same data structuring. Remarkable relationships can be found among the different spaces. They provide information on how conformations are conserved across the host proteins and which distinct local cavity and fold motifs recognize the different portions of the cofactors. In those cases, where different cofactors are found to be accommodated in a similar fashion to the same fold motifs, only a commonly shared substructure of the cofactors is used for the recognition process. Copyright © 2011 Wiley Periodicals, Inc.

  11. XenoSite: accurately predicting CYP-mediated sites of metabolism with neural networks.

    Science.gov (United States)

    Zaretzki, Jed; Matlock, Matthew; Swamidass, S Joshua

    2013-12-23

    Understanding how xenobiotic molecules are metabolized is important because it influences the safety, efficacy, and dose of medicines and how they can be modified to improve these properties. The cytochrome P450s (CYPs) are proteins responsible for metabolizing 90% of drugs on the market, and many computational methods can predict which atomic sites of a molecule--sites of metabolism (SOMs)--are modified during CYP-mediated metabolism. This study improves on prior methods of predicting CYP-mediated SOMs by using new descriptors and machine learning based on neural networks. The new method, XenoSite, is faster to train and more accurate by as much as 4% or 5% for some isozymes. Furthermore, some "incorrect" predictions made by XenoSite were subsequently validated as correct predictions by revaluation of the source literature. Moreover, XenoSite output is interpretable as a probability, which reflects both the confidence of the model that a particular atom is metabolized and the statistical likelihood that its prediction for that atom is correct.

  12. Predicting protein amidation sites by orchestrating amino acid sequence features

    Science.gov (United States)

    Zhao, Shuqiu; Yu, Hua; Gong, Xiujun

    2017-08-01

    Amidation is the fourth major category of post-translational modifications, which plays an important role in physiological and pathological processes. Identifying amidation sites can help us understanding the amidation and recognizing the original reason of many kinds of diseases. But the traditional experimental methods for predicting amidation sites are often time-consuming and expensive. In this study, we propose a computational method for predicting amidation sites by orchestrating amino acid sequence features. Three kinds of feature extraction methods are used to build a feature vector enabling to capture not only the physicochemical properties but also position related information of the amino acids. An extremely randomized trees algorithm is applied to choose the optimal features to remove redundancy and dependence among components of the feature vector by a supervised fashion. Finally the support vector machine classifier is used to label the amidation sites. When tested on an independent data set, it shows that the proposed method performs better than all the previous ones with the prediction accuracy of 0.962 at the Matthew's correlation coefficient of 0.89 and area under curve of 0.964.

  13. Polyadenylation site prediction using PolyA-iEP method.

    Science.gov (United States)

    Kavakiotis, Ioannis; Tzanis, George; Vlahavas, Ioannis

    2014-01-01

    This chapter presents a method called PolyA-iEP that has been developed for the prediction of polyadenylation sites. More precisely, PolyA-iEP is a method that recognizes mRNA 3'ends which contain polyadenylation sites. It is a modular system which consists of two main components. The first exploits the advantages of emerging patterns and the second is a distance-based scoring method. The outputs of the two components are finally combined by a classifier. The final results reach very high scores of sensitivity and specificity.

  14. Seismic Hazard Assessment in Site Evaluation for Nuclear Installations: Ground Motion Prediction Equations and Site Response

    International Nuclear Information System (INIS)

    2016-07-01

    The objective of this publication is to provide the state-of-the-art practice and detailed technical elements related to ground motion evaluation by ground motion prediction equations (GMPEs) and site response in the context of seismic hazard assessments as recommended in IAEA Safety Standards Series No. SSG-9, Seismic Hazards in Site Evaluation for Nuclear Installations. The publication includes the basics of GMPEs, ground motion simulation, selection and adjustment of GMPEs, site characterization, and modelling of site response in order to improve seismic hazard assessment. The text aims at delineating the most important aspects of these topics (including current practices, criticalities and open problems) within a coherent framework. In particular, attention has been devoted to filling conceptual gaps. It is written as a reference text for trained users who are responsible for planning preparatory seismic hazard analyses for siting of all nuclear installations and/or providing constraints for anti-seismic design and retrofitting of existing structures

  15. Combining specificity determining and conserved residues improves functional site prediction

    Directory of Open Access Journals (Sweden)

    Gelfand Mikhail S

    2009-06-01

    Full Text Available Abstract Background Predicting the location of functionally important sites from protein sequence and/or structure is a long-standing problem in computational biology. Most current approaches make use of sequence conservation, assuming that amino acid residues conserved within a protein family are most likely to be functionally important. Most often these approaches do not consider many residues that act to define specific sub-functions within a family, or they make no distinction between residues important for function and those more relevant for maintaining structure (e.g. in the hydrophobic core. Many protein families bind and/or act on a variety of ligands, meaning that conserved residues often only bind a common ligand sub-structure or perform general catalytic activities. Results Here we present a novel method for functional site prediction based on identification of conserved positions, as well as those responsible for determining ligand specificity. We define Specificity-Determining Positions (SDPs, as those occupied by conserved residues within sub-groups of proteins in a family having a common specificity, but differ between groups, and are thus likely to account for specific recognition events. We benchmark the approach on enzyme families of known 3D structure with bound substrates, and find that in nearly all families residues predicted by SDPsite are in contact with the bound substrate, and that the addition of SDPs significantly improves functional site prediction accuracy. We apply SDPsite to various families of proteins containing known three-dimensional structures, but lacking clear functional annotations, and discusse several illustrative examples. Conclusion The results suggest a better means to predict functional details for the thousands of protein structures determined prior to a clear understanding of molecular function.

  16. A Mechanism-Based Model for the Prediction of the Metabolic Sites of Steroids Mediated by Cytochrome P450 3A4

    Directory of Open Access Journals (Sweden)

    Zi-Ru Dai

    2015-06-01

    Full Text Available Early prediction of xenobiotic metabolism is essential for drug discovery and development. As the most important human drug-metabolizing enzyme, cytochrome P450 3A4 has a large active cavity and metabolizes a broad spectrum of substrates. The poor substrate specificity of CYP3A4 makes it a huge challenge to predict the metabolic site(s on its substrates. This study aimed to develop a mechanism-based prediction model based on two key parameters, including the binding conformation and the reaction activity of ligands, which could reveal the process of real metabolic reaction(s and the site(s of modification. The newly established model was applied to predict the metabolic site(s of steroids; a class of CYP3A4-preferred substrates. 38 steroids and 12 non-steroids were randomly divided into training and test sets. Two major metabolic reactions, including aliphatic hydroxylation and N-dealkylation, were involved in this study. At least one of the top three predicted metabolic sites was validated by the experimental data. The overall accuracy for the training and test were 82.14% and 86.36%, respectively. In summary, a mechanism-based prediction model was established for the first time, which could be used to predict the metabolic site(s of CYP3A4 on steroids with high predictive accuracy.

  17. Development of METAL-ACTIVE SITE and ZINCCLUSTER tool to predict active site pockets.

    Science.gov (United States)

    Ajitha, M; Sundar, K; Arul Mugilan, S; Arumugam, S

    2018-03-01

    The advent of whole genome sequencing leads to increasing number of proteins with known amino acid sequences. Despite many efforts, the number of proteins with resolved three dimensional structures is still low. One of the challenging tasks the structural biologists face is the prediction of the interaction of metal ion with any protein for which the structure is unknown. Based on the information available in Protein Data Bank, a site (METALACTIVE INTERACTION) has been generated which displays information for significant high preferential and low-preferential combination of endogenous ligands for 49 metal ions. User can also gain information about the residues present in the first and second coordination sphere as it plays a major role in maintaining the structure and function of metalloproteins in biological system. In this paper, a novel computational tool (ZINCCLUSTER) is developed, which can predict the zinc metal binding sites of proteins even if only the primary sequence is known. The purpose of this tool is to predict the active site cluster of an uncharacterized protein based on its primary sequence or a 3D structure. The tool can predict amino acids interacting with a metal or vice versa. This tool is based on the occurrence of significant triplets and it is tested to have higher prediction accuracy when compared to that of other available techniques. © 2017 Wiley Periodicals, Inc.

  18. A resonance shift prediction based on the Boltzmann-Ehrenfest principle for cylindrical cavities with a rigid sphere.

    Science.gov (United States)

    Santillan, Arturo O; Cutanda-Henríquez, Vicente

    2008-11-01

    An investigation on the resonance frequency shift for a plane-wave mode in a cylindrical cavity produced by a rigid sphere is reported in this paper. This change of the resonance frequency has been previously considered as a cause of oscillational instabilities in single-mode acoustic levitation devices. It is shown that the use of the Boltzmann-Ehrenfest principle of adiabatic invariance allows the derivation of an expression for the resonance frequency shift in a simpler and more direct way than a method based on a Green's function reported in literature. The position of the sphere can be any point along the axis of the cavity. Obtained predictions of the resonance frequency shift with the deduced equation agree quite well with numerical simulations based on the boundary element method. The results are also confirmed by experiments. The equation derived from the Boltzmann-Ehrenfest principle appears to be more general, and for large spheres, it gives a better approximation than the equation previously reported.

  19. Predicting on-site environmental impacts of municipal engineering works

    International Nuclear Information System (INIS)

    Gangolells, Marta; Casals, Miquel; Forcada, Núria; Macarulla, Marcel

    2014-01-01

    The research findings fill a gap in the body of knowledge by presenting an effective way to evaluate the significance of on-site environmental impacts of municipal engineering works prior to the construction stage. First, 42 on-site environmental impacts of municipal engineering works were identified by means of a process-oriented approach. Then, 46 indicators and their corresponding significance limits were determined on the basis of a statistical analysis of 25 new-build and remodelling municipal engineering projects. In order to ensure the objectivity of the assessment process, direct and indirect indicators were always based on quantitative data from the municipal engineering project documents. Finally, two case studies were analysed and found to illustrate the practical use of the proposed model. The model highlights the significant environmental impacts of a particular municipal engineering project prior to the construction stage. Consequently, preventive actions can be planned and implemented during on-site activities. The results of the model also allow a comparison of proposed municipal engineering projects and alternatives with respect to the overall on-site environmental impact and the absolute importance of a particular environmental aspect. These findings are useful within the framework of the environmental impact assessment process, as they help to improve the identification and evaluation of on-site environmental aspects of municipal engineering works. The findings may also be of use to construction companies that are willing to implement an environmental management system or simply wish to improve on-site environmental performance in municipal engineering projects. -- Highlights: • We present a model to predict the environmental impacts of municipal engineering works. • It highlights significant on-site environmental impacts prior to the construction stage. • Findings are useful within the environmental impact assessment process. • They also

  20. Predicting on-site environmental impacts of municipal engineering works

    Energy Technology Data Exchange (ETDEWEB)

    Gangolells, Marta, E-mail: marta.gangolells@upc.edu; Casals, Miquel, E-mail: miquel.casals@upc.edu; Forcada, Núria, E-mail: nuria.forcada@upc.edu; Macarulla, Marcel, E-mail: marcel.macarulla@upc.edu

    2014-01-15

    The research findings fill a gap in the body of knowledge by presenting an effective way to evaluate the significance of on-site environmental impacts of municipal engineering works prior to the construction stage. First, 42 on-site environmental impacts of municipal engineering works were identified by means of a process-oriented approach. Then, 46 indicators and their corresponding significance limits were determined on the basis of a statistical analysis of 25 new-build and remodelling municipal engineering projects. In order to ensure the objectivity of the assessment process, direct and indirect indicators were always based on quantitative data from the municipal engineering project documents. Finally, two case studies were analysed and found to illustrate the practical use of the proposed model. The model highlights the significant environmental impacts of a particular municipal engineering project prior to the construction stage. Consequently, preventive actions can be planned and implemented during on-site activities. The results of the model also allow a comparison of proposed municipal engineering projects and alternatives with respect to the overall on-site environmental impact and the absolute importance of a particular environmental aspect. These findings are useful within the framework of the environmental impact assessment process, as they help to improve the identification and evaluation of on-site environmental aspects of municipal engineering works. The findings may also be of use to construction companies that are willing to implement an environmental management system or simply wish to improve on-site environmental performance in municipal engineering projects. -- Highlights: • We present a model to predict the environmental impacts of municipal engineering works. • It highlights significant on-site environmental impacts prior to the construction stage. • Findings are useful within the environmental impact assessment process. • They also

  1. Lymph node ratio predicts the benefit of post-operative radiotherapy in oral cavity cancer

    International Nuclear Information System (INIS)

    Urban, Damien; Gluck, Iris; Pfeffer, M. Raphael; Symon, Zvi; Lawrence, Yaacov R.

    2013-01-01

    Background: The standard treatment for non-metastatic oral cavity squamous cell carcinoma (OCSCC) is surgical resection followed by post-operative radiotherapy (PORT) with/without chemotherapy in high risk patients. Given the substantial toxicity of PORT we assessed lymph node ratio (LNR) as a predictor of PORT benefit. Design: By using the Surveillance, Epidemiology and End Results (SEER) database, we analyzed all node positive OCSCC patients diagnosed between 1988 and 2007 who underwent neck dissection. LNR was categorized into three groups: <6%, 6–12.5% and >12.5%. Results: In 3091 subjects identified, median survival was 32, 25 and 16 months for LNR Groups 1, 2 and 3, respectively. On multivariate analysis, survival was associated with age, race, grade, tumor size, nodal stage, extra-capsular extension, use of PORT and LNR. When stratified by LNR group, PORT was associated with a survival benefit only in Group 3 (LNR > 12.5%): 2 year survival 25% vs 37%. No benefit to PORT was seen when the LNR ⩽ 12.5%: 2 year survival 51% vs 54%. Conclusion: A low LNR is associated with extended survival in LN positive OCSCC. The survival benefit associated with PORT in this disease appears to be limited to those with a LNR > 12.5%. Validation is required prior to the clinical implementation of our findings

  2. Prediction of the flooding process at the Ronneburg site - results of an integrated approach

    International Nuclear Information System (INIS)

    Paul, M.; Saenger, H.-J.; Snagowski, S.; Maerten, H.; Eckart, M.

    1998-01-01

    The flooding process of the Ronneburg uranium mine (WISMUT) was initiated at the turn of the year 1997 to 1998. In order to prepare the flooding process and to derive and optimize technological measures an integrated modelling approach was chosen which includes several coupled modules. The most important issues to be answered are: (1) prediction of the flooding time (2) prediction of the groundwater level at the post-flooding stage, assessment of amount, location and quality of flooding waters entering the receiving streams at the final stage (3) water quality prediction within the mine during the flooding process (4) definition of technological measures and assessment of their efficiency A box model which includes the three-dimensional distribution of the cavity volume in the mine represents the model core. The model considers the various types of dewatered cavity volumes for each mine level / mining field and the degree of vertical and horizontal connection between the mining fields. Different types of open mine space as well as the dewatered geological pore and joint volume are considered taking into account the contour of the depression cone prior to flooding and the characteristics of the different rock types. Based on the mine water balance and the flooding technology the model predicts the rise of the water table over time during the flooding process for each mine field separately. In order to predict the mine water quality and the efficiency of in-situ water treatment the box model was linked to a geochemical model (PHREEQC). A three-dimensional flow model is used to evaluate the post-flooding situation at the Ronneburg site. This model is coupled to the box model. The modelling results of various flooding scenarios show that a prediction of the post-flooding geohydraulic situation is possible despite of uncertainties concerning the input parameters which still exist. The post-flooding water table in the central part of the Ronneburg mine will be 270 m

  3. Assessment of Mars Exploration Rover Landing Site Predictions

    Science.gov (United States)

    Golombek, M. P.

    2005-05-01

    Comprehensive analyses of remote sensing data during the 3-year effort to select the Mars Exploration Rover landing sites at Gusev crater and Meridiani Planum correctly predicted the safe and trafficable surfaces explored by the two rovers. Gusev crater was predicted to be a relatively low relief surface that was comparably dusty, but less rocky than the Viking landing sites. Available data for Meridiani Planum indicated a very flat plain composed of basaltic sand to granules and hematite that would look completely unlike any of the existing landing sites with a dark, low albedo surface, little dust and very few rocks. Orbital thermal inertia measurements of 315 J m-2 s-0.5 K-1 at Gusev suggested surfaces dominated by duricrust to cemented soil-like materials or cohesionless sand or granules, which is consistent with observed soil characteristics and measured thermal inertias from the surface. THEMIS thermal inertias along the traverse at Gusev vary from 285 at the landing site to 330 around Bonneville rim and show systematic variations that can be related to the observed increase in rock abundance (5-30%). Meridiani has an orbital bulk inertia of ~200, similar to measured surface inertias that correspond to observed surfaces dominated by 0.2 mm sand size particles. Rock abundance derived from orbital thermal differencing techniques suggested that Meridiani Planum would have very low rock abundance, consistent with the rock free plain traversed by Opportunity. Spirit landed in an 8% orbital rock abundance pixel, consistent with the measured 7% of the surface covered by rocks >0.04 m diameter at the landing site, which is representative of the plains away from craters. The orbital albedo of the Spirit traverse varies from 0.19 to 0.30, consistent with surface measurements in and out of dust devil tracks. Opportunity is the first landing in a low albedo portion of Mars as seen from orbit, which is consistent with the dark, dust-free surface and measured albedos. The

  4. MetWAMer: eukaryotic translation initiation site prediction

    Directory of Open Access Journals (Sweden)

    Brendel Volker

    2008-09-01

    Full Text Available Abstract Background Translation initiation site (TIS identification is an important aspect of the gene annotation process, requisite for the accurate delineation of protein sequences from transcript data. We have developed the MetWAMer package for TIS prediction in eukaryotic open reading frames of non-viral origin. MetWAMer can be used as a stand-alone, third-party tool for post-processing gene structure annotations generated by external computational programs and/or pipelines, or directly integrated into gene structure prediction software implementations. Results MetWAMer currently implements five distinct methods for TIS prediction, the most accurate of which is a routine that combines weighted, signal-based translation initiation site scores and the contrast in coding potential of sequences flanking TISs using a perceptron. Also, our program implements clustering capabilities through use of the k-medoids algorithm, thereby enabling cluster-specific TIS parameter utilization. In practice, our static weight array matrix-based indexing method for parameter set lookup can be used with good results in data sets exhibiting moderate levels of 5'-complete coverage. Conclusion We demonstrate that improvements in statistically-based models for TIS prediction can be achieved by taking the class of each potential start-methionine into account pending certain testing conditions, and that our perceptron-based model is suitable for the TIS identification task. MetWAMer represents a well-documented, extensible, and freely available software system that can be readily re-trained for differing target applications and/or extended with existing and novel TIS prediction methods, to support further research efforts in this area.

  5. Sites of origin of oral cavity cancer in nonsmokers vs smokers: possible evidence of dental trauma carcinogenesis and its importance compared with human papillomavirus.

    Science.gov (United States)

    Perry, Brendan J; Zammit, Andrew P; Lewandowski, Andrew W; Bashford, Julia J; Dragovic, Adrian S; Perry, Emily J; Hayatbakhsh, Reza; Perry, Christopher F L

    2015-01-01

    The relatively high and possibly rising incidence of mouth squamous cell carcinoma in nonsmokers, especially women, without obvious cause has been noted by previous authors. Is chronic dental trauma and irritation a carcinogen, and what is its importance compared with human papillomavirus (HPV) oropharyngeal cancer in nonsmokers? To determine whether oral cavity cancers occurred more commonly at sites of dental trauma and how the position of these cancers varied between nonsmokers lacking major identified carcinogens and smokers. If these cancers occurred more frequently at sites of chronic trauma, especially in nonsmokers, it would suggest chronic dental trauma as a possible carcinogen. A retrospective analysis of 881 patients with oral cavity or oropharyngeal cancers seen through a tertiary referral hospital between 2001 and 2011 was performed. Patient medical records were analyzed to determine the location of the tumor within the oral cavity and oropharynx and how it relates to patient demographics, smoking and alcohol histories, and comorbidities. Dental histories were also sought, including use of dentures. Nonsmokers comprised 87 of 390 patients with mouth cancer (22%) and 48 of 334 patients with oropharyngeal cancer (14%). Female nonsmoking patients included 53 with oral cancer (61%) but only 12 with oropharyngeal squamous cell carcinoma (25%). Oral cancers occurred on the lateral tongue, a potential site of chronic dental trauma, in 57 nonsmokers (66%) compared with 107 smokers/ex-smokers (33%) (P Oral cavity cancers occur predominantly at sites of potential dental and denture trauma, especially in nonsmokers without other risk factors. Recognizing teeth irritation as a potential carcinogen would have an impact on prevention and treatment strategies.

  6. The prevalence of squamous cell carcinoma in different sites of oral cavity at our Rural Health Care Centre in Loni, Maharashtra – a retrospective 10-year study

    Science.gov (United States)

    Dadhich, Anuj; Saluja, Harish; Bawane, Shilpa; Sachdeva, Shivani

    2017-01-01

    Aim of the study Oral cancer ranks in the top three of all cancers in India and is quickly becoming a global health priority. More than 90% of oral and oropharyngeal cancers are squamous cell carcinoma. The purpose of this study was to document its incidence depending upon the involvement of different sites of oral cavity, and its variation with age and gender. Material and methods Histopathologically proven oral squamous cell carcinoma cases were collected from the department of oral and maxillofacial surgery RDC, PIMS. The cases were systematically grouped under three headings: anatomical sub-site of oral cavity, age group, and gender, which were analysed to calculate the prevalence of oral cancer. The study was undertaken after obtaining approval from the institutional Ethical Committee board. Results Among the different sites of oral cavity, the highest incidence (31.47%) of oral squamous cell carcinoma was seen for buccal mucosa in our study. The most affected age group (39.50%) were patients above 50 years old, predominantly involving males. Conclusions The population in this study were mostly from remote areas, among which a high rate of occurrence of oral cancer was encountered because the people were of low socio-economic class, had a casual attitude towards their health, high rate of tobacco consumption, and limited health care facilities. This study provides valuable data of the prevalence of oral cancer among the rural population. PMID:28947890

  7. The prevalence of squamous cell carcinoma in different sites of oral cavity at our Rural Health Care Centre in Loni, Maharashtra – a retrospective 10-year study

    Directory of Open Access Journals (Sweden)

    Parul Tandon

    2017-06-01

    Full Text Available Aim of the study : Oral cancer ranks in the top three of all cancers in India and is quickly becoming a global health priority. More than 90% of oral and oropharyngeal cancers are squamous cell carcinoma. The purpose of this study was to document its incidence depending upon the involvement of different sites of oral cavity, and its variation with age and gender. Material and methods : Histopathologically proven oral squamous cell carcinoma cases were collected from the department of oral and maxillofacial surgery RDC, PIMS. The cases were systematically grouped under three headings: anatomical sub-site of oral cavity, age group, and gender, which were analysed to calculate the prevalence of oral cancer. The study was undertaken after obtaining approval from the institutional Ethical Committee board. Results : Among the different sites of oral cavity, the highest incidence (31.47% of oral squamous cell carcinoma was seen for buccal mucosa in our study. The most affected age group (39.50% were patients above 50 years old, predominantly involving males. Conclusions : The population in this study were mostly from remote areas, among which a high rate of occurrence of oral cancer was encountered because the people were of low socio-economic class, had a casual attitude towards their health, high rate of tobacco consumption, and limited health care facilities. This study provides valuable data of the prevalence of oral cancer among the rural population.

  8. Site characterization and validation. Stage 2 - Preliminary predictions

    International Nuclear Information System (INIS)

    Olsson, O.; Black, J.H.; Gale, J.E.; Holmes, D.C.

    1989-05-01

    The Site Characterization and Validation (SCV) project is designed to assess how well we can characterize a volume of rock prior to using it as a repository. The programme of work focuses on the validation of the techniques used in site characterization. The SCV project contains 5 stages of work arranged in two 'cycles' of data-gathering, prediction, and validation. The first stage of work has included drilling of 6 boreholes (N2, N3, N4, W1, W2 and V3) and measurements of geology, fracture characteristics, stess, single borehole geophysical logging, radar, seismics and hydrogeology. The rock at the SCV site is granite with small lithological variations. Based essentially on radar and seismic results 5 'fracture zones' have been identified, named GA, GB, GC, GH and GI. They all extend acroos the entire SCV site. They aer basically in in two groups (GA, GB, GC and GH, GI). The first group are aligned N40 degree E with a dip of 35 degree to the south. The second group are aligned approximately N10 degree W dipping 60 degree E. From the stochastic analysis of the joint data it was possible to identify three main fracture orientation clusters. The orientation of two of these clusters agree roughly with orientation of the main features. Cluster B has roughly the same orientation as GH and GI, while features GA, GB and GC have an orientation similar to the more loosely defined cluster C. The orientation of the third cluster (A) is northwest with a dip to northeast. It is found that 94% of all measured hydraulic transmissivity is accounted for by 4% of the tested rock, not all of this 'concentrated' transmissivity is with the major features defined by geophysics. When the hydraulic connections across the site are examied they show that there are several welldefined zones which permit rapid transmission of hydraulic signals. These are essentially from the northeast to the southwest. (66 figs., 21 tabs., 33 refs.)

  9. Method of predicting Splice Sites based on signal interactions

    Directory of Open Access Journals (Sweden)

    Deogun Jitender S

    2006-04-01

    Full Text Available Abstract Background Predicting and proper ranking of canonical splice sites (SSs is a challenging problem in bioinformatics and machine learning communities. Any progress in SSs recognition will lead to better understanding of splicing mechanism. We introduce several new approaches of combining a priori knowledge for improved SS detection. First, we design our new Bayesian SS sensor based on oligonucleotide counting. To further enhance prediction quality, we applied our new de novo motif detection tool MHMMotif to intronic ends and exons. We combine elements found with sensor information using Naive Bayesian Network, as implemented in our new tool SpliceScan. Results According to our tests, the Bayesian sensor outperforms the contemporary Maximum Entropy sensor for 5' SS detection. We report a number of putative Exonic (ESE and Intronic (ISE Splicing Enhancers found by MHMMotif tool. T-test statistics on mouse/rat intronic alignments indicates, that detected elements are on average more conserved as compared to other oligos, which supports our assumption of their functional importance. The tool has been shown to outperform the SpliceView, GeneSplicer, NNSplice, Genio and NetUTR tools for the test set of human genes. SpliceScan outperforms all contemporary ab initio gene structural prediction tools on the set of 5' UTR gene fragments. Conclusion Designed methods have many attractive properties, compared to existing approaches. Bayesian sensor, MHMMotif program and SpliceScan tools are freely available on our web site. Reviewers This article was reviewed by Manyuan Long, Arcady Mushegian and Mikhail Gelfand.

  10. Geospatial Analytics in Retail Site Selection and Sales Prediction.

    Science.gov (United States)

    Ting, Choo-Yee; Ho, Chiung Ching; Yee, Hui Jia; Matsah, Wan Razali

    2018-03-01

    Studies have shown that certain features from geography, demography, trade area, and environment can play a vital role in retail site selection, largely due to the impact they asserted on retail performance. Although the relevant features could be elicited by domain experts, determining the optimal feature set can be intractable and labor-intensive exercise. The challenges center around (1) how to determine features that are important to a particular retail business and (2) how to estimate retail sales performance given a new location? The challenges become apparent when the features vary across time. In this light, this study proposed a nonintervening approach by employing feature selection algorithms and subsequently sales prediction through similarity-based methods. The results of prediction were validated by domain experts. In this study, data sets from different sources were transformed and aggregated before an analytics data set that is ready for analysis purpose could be obtained. The data sets included data about feature location, population count, property type, education status, and monthly sales from 96 branches of a telecommunication company in Malaysia. The finding suggested that (1) optimal retail performance can only be achieved through fulfillment of specific location features together with the surrounding trade area characteristics and (2) similarity-based method can provide solution to retail sales prediction.

  11. Prediction of flow and drawdown for the site characterization and validation site in the Stripa Mine

    International Nuclear Information System (INIS)

    Long, J.C.S.; Mauldon, A.D.; Nelson, K.; Martel, S.; Fuller, P.; and Karasaki, K.

    1992-01-01

    Geophysical and hydrologic data from a location in the Stripa Mine in Sweden, called the Site Characterization and Validation (SCV) block, has been used to create a series of models for flow through the fracture network. The models can be characterized as ''equivalent discontinuum'' models. Equivalent discontinuum models are derived starting from a specified lattice or 6 ''template''. An inverse analysis called ''Simulated Annealing'' is used to make a random search through the elements of the lattice to find a configuration that can reproduce the measured responses. Evidence at Stripa points to hydrology which is dominated by fracture zones. These have been identified and located through extensive characterization efforts. Lattice templates were arranged to lie on the fracture zones identified by Black and Olsson. The fundamental goal of this project was to build a fracture flow model based an initial data set, and use this model to make predictions of the flow behavior during a new test. Then given data from the new test, predict a second test, etc. The first data set was an interference test called C1-2. Both a two-dimensional and a three-dimensional model were annealed to the C1-2 data and use this model to predict the behavior of the Simulated Drift Experiment (SDE). The SDE measured the flow into, and drawdown due to reducing the pressure in a group of 6 parallel boreholes. Then both the C1-2 and SDE data were used to predict the flow into and drawdown due to an excavation, the Validation Drift (VD), made through the boreholes. Finally, all the data was used to predict the hydrologic response to opening another hole, T1

  12. Implosion of the small cavity and large cavity cannonball targets

    International Nuclear Information System (INIS)

    Nishihara, Katsunobu; Yamanaka, Chiyoe.

    1984-01-01

    Recent results of cannonball target implosion research are briefly reviewed with theoretical predictions for GEKKO XII experiments. The cannonball targets are classified into two types according to the cavity size ; small cavity and large cavity. The compression mechanisms of the two types are discussed. (author)

  13. Site investigations, design, construction, operation, shutdown and surveillance of repositories for low- and intermediate-level radioactive wastes in rock cavities

    International Nuclear Information System (INIS)

    1984-01-01

    The report provides an overview and technical guidelines for considerations and for activities to be undertaken for safety assessment, site investigations, design, construction, operation, shutdown and surveillance of repositories for the disposal of low- and intermediate-level radioactive wastes in rock cavities. A generalized sequence of investigations is introduced which proceeds through region and site selection to the stage where the site is confirmed by detailed geoscientific investigations as being suitable for a waste repository. The different procedures and somewhat specific investigative needs with respect to existing mines are dealt with separately. General design, as well as specific requirements with respect to the different stages of design and construction, are dealt with. A review of activities related to the operational and post-operational stages of repositories in rock cavities is presented. The report describes in general terms the procedures related to different stages of disposal operation; also the conditions for shutdown together with essential shutdown and sealing activities and the related safety assessment requirements. Guidance is also given on the surveillance programme which will allow for inspection, testing, maintenance and security of a disposal facility during the operational phase, as well as for the post-operational stage for periods determined as necessary by the national authorities

  14. Dental cavities

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/article/001055.htm Dental cavities To use the sharing features on this page, please enable JavaScript. Dental cavities are holes (or structural damage) in the ...

  15. Red-cockaded woodpecker nest-cavity selection: relationships with cavity age and resin production

    Science.gov (United States)

    Richard N. Conner; Daniel Saenz; D. Craig Rudolph; William G. Ross; David L. Kulhavy

    1998-01-01

    The authors evaluated selection of nest sites by male red-cockaded woodpeckers (Picoides borealis) in Texas relative to the age of the cavity when only cavities excavated by the woodpeckers were available and when both naturally excavated cavities and artificial cavities were available. They also evaluated nest-cavity selection relative to the ability of naturally...

  16. Prediction of nucleosome positioning based on transcription factor binding sites.

    Directory of Open Access Journals (Sweden)

    Xianfu Yi

    Full Text Available BACKGROUND: The DNA of all eukaryotic organisms is packaged into nucleosomes, the basic repeating units of chromatin. The nucleosome consists of a histone octamer around which a DNA core is wrapped and the linker histone H1, which is associated with linker DNA. By altering the accessibility of DNA sequences, the nucleosome has profound effects on all DNA-dependent processes. Understanding the factors that influence nucleosome positioning is of great importance for the study of genomic control mechanisms. Transcription factors (TFs have been suggested to play a role in nucleosome positioning in vivo. PRINCIPAL FINDINGS: Here, the minimum redundancy maximum relevance (mRMR feature selection algorithm, the nearest neighbor algorithm (NNA, and the incremental feature selection (IFS method were used to identify the most important TFs that either favor or inhibit nucleosome positioning by analyzing the numbers of transcription factor binding sites (TFBSs in 53,021 nucleosomal DNA sequences and 50,299 linker DNA sequences. A total of nine important families of TFs were extracted from 35 families, and the overall prediction accuracy was 87.4% as evaluated by the jackknife cross-validation test. CONCLUSIONS: Our results are consistent with the notion that TFs are more likely to bind linker DNA sequences than the sequences in the nucleosomes. In addition, our results imply that there may be some TFs that are important for nucleosome positioning but that play an insignificant role in discriminating nucleosome-forming DNA sequences from nucleosome-inhibiting DNA sequences. The hypothesis that TFs play a role in nucleosome positioning is, thus, confirmed by the results of this study.

  17. Site-specific data confirm arsenic exposure predicted by the U.S. Environmental Protection Agency.

    OpenAIRE

    Walker, S; Griffin, S

    1998-01-01

    The EPA uses an exposure assessment model to estimate daily intake to chemicals of potential concern. At the Anaconda Superfund site in Montana, the EPA exposure assessment model was used to predict total and speciated urinary arsenic concentrations. Predicted concentrations were then compared to concentrations measured in children living near the site. When site-specific information on concentrations of arsenic in soil, interior dust, and diet, site-specific ingestion rates, and arsenic abso...

  18. Prediction of occult lymph node metastasis in squamous cell carcinoma of the oral cavity and the oropharynx using peritumoral Prospero homeobox protein 1 lymphatic nuclear quantification.

    Science.gov (United States)

    Mermod, Maxime; Bongiovanni, Massimo; Petrova, Tatiana V; Dubikovskaya, Elena A; Simon, Christian; Tolstonog, Genrich; Monnier, Yan

    2016-09-01

    The use of lymphatic vessel density as a predictor of occult lymph node metastasis (OLNM) in head and neck squamous cell carcinoma (HNSCC) has never been reported. Staining of the specific lymphatic endothelial cells nuclear marker, PROX1, as an indicator of lymphatic vessel density was determined by counting the number of positive cells in squamous cell carcinomas (SCCs) of the oral cavity and the oropharynx with clinically negative necks. Correlation with histopathological data was established. Peritumoral PROX1 lymphatic nuclear count significantly correlated with the detection of OLNM in multivariate analysis (p oral cavity and the oropharynx allows accurate prediction of occult lymph node metastasis. © 2016 Wiley Periodicals, Inc. Head Neck 38: 1407-1415, 2016. © 2016 Wiley Periodicals, Inc.

  19. Aeroacoustic power generated by a compact axisymmetric cavity: Prediction of self-sustained osciallation and influence of depth

    NARCIS (Netherlands)

    Nakiboglu, G.; Manders, H.B.M.; Hirschberg, Abraham

    2012-01-01

    Aeroacoustic power generation due to a self-sustained oscillation by an axisymmetric compact cavity exposed to a low-Mach-number grazing flow is studied both experimentally and numerically. The feedback effect is produced by the velocity fluctuations resulting from a coupling with acoustic standing

  20. Establishing a predictive maintenance program at the Hanford Site

    International Nuclear Information System (INIS)

    Winslow, R.W.

    1994-05-01

    This document contains information about a new Predictive Maintenance Program being developed and implemented at the Hanford Reservation. Details of the document include: background on persons developing the program, history of predictive maintenance, implementation of new program, engineering task analysis, network development and new software, issues to be resolved, benefits expected, and appendix gives information about the symposium from which this paper is based

  1. A survey of cavity-nesting bees and wasps in loblolly pine stands of the Savannah River Site, Aiken County, South Carolina.

    Energy Technology Data Exchange (ETDEWEB)

    Horn, S.; Hanula, J., L.

    2004-03-10

    Horn, Scott, and James L. Hanula. 2004. A survey of cavity-nesting bees and wasps in loblolly pine stands of the Savannah River Site, Aiken County, South Carolina. 39(3): 464-469. Abstract: In recent years concern over widespread losses in biodiversity has grown to include a possible decline of many native pollinators, primarily bees. Factors such as habitat fragmentation, agricultural practices, use of pesticides, the introduction of invasive species, or changes in land use may negatively impact these vital organisims. Most reported studies show that human impacts on pollinators are overwhelmingly negative. Reductions in pollinator populations may profoundly impact plant population dynamics and ecosystem function. Little baseline data exists on the diversity and relative abundance of bees and wasps in southern forests. The objective of this study was to develop a simple, effective method of surveying cavity-nesting bees and wasps and to determine species diversity in mature forests of loblolly pine, the most widely planted tree species in the southern United States.

  2. Predicting on-site environmental impacts of municipal engineering works

    OpenAIRE

    Gangolells Solanellas, Marta; Casals Casanova, Miquel; Forcada Matheu, Núria; Macarulla Martí, Marcel

    2014-01-01

    The research findings fill a gap in the body of knowledge by presenting an effective way to evaluate the significance of on-site environmental impacts of municipal engineering works prior to the construction stage. First, 42 on-site environmental impacts of municipal engineering works were identified by means of a process-oriented approach. Then, 46 indicators and their corresponding significance limits were determined on the basis of a statistical analysis of 25 new-build and remodelling mun...

  3. FACTORS PREDICTING CONSUMERS' ASSESSMENT OF ADVERTISEMENTS ON SOCIAL NETWORKING SITES

    OpenAIRE

    Hossam Deraz; Gabriel Baffour Awuah; Desalegn Abraha Gebrekidan

    2015-01-01

    Marketers act on social networking sites (SNSs) in order to be more efficient in merchandising their products and/or services. Even so, the scope of the published studies regarding the assessment of advertisements on social networking sites (SNAs) is limited. Consequently, the present study aimed to consider credibility and interactivity, in addition to information, entertainment and irritation values, as main factors for consumers’ assessment of SNAs, as perceived by SNSs’ users. An analysis...

  4. Musite, a tool for global prediction of general and kinase-specific phosphorylation sites.

    Science.gov (United States)

    Gao, Jianjiong; Thelen, Jay J; Dunker, A Keith; Xu, Dong

    2010-12-01

    Reversible protein phosphorylation is one of the most pervasive post-translational modifications, regulating diverse cellular processes in various organisms. High throughput experimental studies using mass spectrometry have identified many phosphorylation sites, primarily from eukaryotes. However, the vast majority of phosphorylation sites remain undiscovered, even in well studied systems. Because mass spectrometry-based experimental approaches for identifying phosphorylation events are costly, time-consuming, and biased toward abundant proteins and proteotypic peptides, in silico prediction of phosphorylation sites is potentially a useful alternative strategy for whole proteome annotation. Because of various limitations, current phosphorylation site prediction tools were not well designed for comprehensive assessment of proteomes. Here, we present a novel software tool, Musite, specifically designed for large scale predictions of both general and kinase-specific phosphorylation sites. We collected phosphoproteomics data in multiple organisms from several reliable sources and used them to train prediction models by a comprehensive machine-learning approach that integrates local sequence similarities to known phosphorylation sites, protein disorder scores, and amino acid frequencies. Application of Musite on several proteomes yielded tens of thousands of phosphorylation site predictions at a high stringency level. Cross-validation tests show that Musite achieves some improvement over existing tools in predicting general phosphorylation sites, and it is at least comparable with those for predicting kinase-specific phosphorylation sites. In Musite V1.0, we have trained general prediction models for six organisms and kinase-specific prediction models for 13 kinases or kinase families. Although the current pretrained models were not correlated with any particular cellular conditions, Musite provides a unique functionality for training customized prediction models

  5. Prediction and experimental verification of performance of box type solar cooker - Part I. Cooking vessel with central cylindrical cavity

    International Nuclear Information System (INIS)

    Reddy, Avala Raji; Rao, A.V. Narasimha

    2007-01-01

    The performance of conventional box type solar cookers can be improved by better designs of cooking vessels with proper understanding of the heat flow to the material to be cooked. An attempt has been made in this article to arrive at a mathematical model to understand the heat flow process to the cooking vessel and thereby to the food material. The mathematical model considers a double glazed hot box type solar cooker loaded with two different types of vessels, kept either on the floor of the cooker or on lugs. The performance of the cooking vessel with a central cylindrical cavity is compared with that of a conventional cylindrical cooking vessel. It is found from the experiments and modeling that the cooking vessel with a central cylindrical cavity on lugs results in a higher temperature of the thermic fluid than that of a conventional vessel on the floor or on lugs. The average improvement of performance of the vessel with a central cylindrical cavity kept on lugs is found to be 5.9% and 2.4% more than that of a conventional cylindrical vessel on the floor and on lugs, respectively

  6. Predicting lodgepole pine site index from climatic parameters in Alberta.

    Science.gov (United States)

    Robert A. Monserud; Shongming Huang; Yuqing. Yang

    2006-01-01

    We sought to evaluate the impact of climatic variables on site productivity of lodgepole pine (Pinus contorta var. latifolia Engelm.) for the province of Alberta. Climatic data were obtained from the Alberta Climate Model, which is based on 30-year normals from the provincial weather station network. Mapping methods were based...

  7. NetAcet: prediction of N-terminal acetylation sites

    DEFF Research Database (Denmark)

    Kiemer, Lars; Bendtsen, Jannick Dyrløv; Blom, Nikolaj

    2005-01-01

    Summary: We present here a neural network based method for prediction of N-terminal acetylation-by far the most abundant post-translational modification in eukaryotes. The method was developed on a yeast dataset for N-acetyltransferase A (NatA) acetylation, which is the type of N-acetylation for ......Summary: We present here a neural network based method for prediction of N-terminal acetylation-by far the most abundant post-translational modification in eukaryotes. The method was developed on a yeast dataset for N-acetyltransferase A (NatA) acetylation, which is the type of N...

  8. Predicting sumoylation sites using support vector machines based on various sequence features, conformational flexibility and disorder.

    Science.gov (United States)

    Yavuz, Ahmet Sinan; Sezerman, Osman Ugur

    2014-01-01

    Sumoylation, which is a reversible and dynamic post-translational modification, is one of the vital processes in a cell. Before a protein matures to perform its function, sumoylation may alter its localization, interactions, and possibly structural conformation. Abberations in protein sumoylation has been linked with a variety of disorders and developmental anomalies. Experimental approaches to identification of sumoylation sites may not be effective due to the dynamic nature of sumoylation, laborsome experiments and their cost. Therefore, computational approaches may guide experimental identification of sumoylation sites and provide insights for further understanding sumoylation mechanism. In this paper, the effectiveness of using various sequence properties in predicting sumoylation sites was investigated with statistical analyses and machine learning approach employing support vector machines. These sequence properties were derived from windows of size 7 including position-specific amino acid composition, hydrophobicity, estimated sub-window volumes, predicted disorder, and conformational flexibility. 5-fold cross-validation results on experimentally identified sumoylation sites revealed that our method successfully predicts sumoylation sites with a Matthew's correlation coefficient, sensitivity, specificity, and accuracy equal to 0.66, 73%, 98%, and 97%, respectively. Additionally, we have showed that our method compares favorably to the existing prediction methods and basic regular expressions scanner. By using support vector machines, a new, robust method for sumoylation site prediction was introduced. Besides, the possible effects of predicted conformational flexibility and disorder on sumoylation site recognition were explored computationally for the first time to our knowledge as an additional parameter that could aid in sumoylation site prediction.

  9. Predicting proteasomal cleavage sites: a comparison of available methods

    DEFF Research Database (Denmark)

    Saxova, P.; Buus, S.; Brunak, Søren

    2003-01-01

    -terminal, in particular, of CTL epitopes is cleaved precisely by the proteasome, whereas the N-terminal is produced with an extension, and later trimmed by peptidases in the cytoplasm and in the endoplasmic reticulum. Recently, three publicly available methods have been developed for prediction of the specificity...

  10. Expansion of access tunnels and active-site cavities influence activity of haloalkane dehalogenases in organic cosolvents.

    Science.gov (United States)

    Stepankova, Veronika; Khabiri, Morteza; Brezovsky, Jan; Pavelka, Antonin; Sykora, Jan; Amaro, Mariana; Minofar, Babak; Prokop, Zbynek; Hof, Martin; Ettrich, Rudiger; Chaloupkova, Radka; Damborsky, Jiri

    2013-05-10

    The use of enzymes for biocatalysis can be significantly enhanced by using organic cosolvents in the reaction mixtures. Selection of the cosolvent type and concentration range for an enzymatic reaction is challenging and requires extensive empirical testing. An understanding of protein-solvent interaction could provide a theoretical framework for rationalising the selection process. Here, the behaviour of three model enzymes (haloalkane dehalogenases) was investigated in the presence of three representative organic cosolvents (acetone, formamide, and isopropanol). Steady-state kinetics assays, molecular dynamics simulations, and time-resolved fluorescence spectroscopy were used to elucidate the molecular mechanisms of enzyme-solvent interactions. Cosolvent molecules entered the enzymes' access tunnels and active sites, enlarged their volumes with no change in overall protein structure, but surprisingly did not act as competitive inhibitors. At low concentrations, the cosolvents either enhanced catalysis by lowering K(0.5) and increasing k(cat), or caused enzyme inactivation by promoting substrate inhibition and decreasing k(cat). The induced activation and inhibition of the enzymes correlated with expansion of the active-site pockets and their occupancy by cosolvent molecules. The study demonstrates that quantitative analysis of the proportions of the access tunnels and active-sites occupied by organic solvent molecules provides the valuable information for rational selection of appropriate protein-solvent pair and effective cosolvent concentration. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Thermal conditions within tree cavities in ponderosa pine (Pinus ponderosa) forests: potential implications for cavity users

    Science.gov (United States)

    Vierling, Kerri T.; Lorenz, Teresa J.; Cunningham, Patrick; Potterf, Kelsi

    2017-11-01

    Tree cavities provide critical roosting and breeding sites for multiple species, and thermal environments in these cavities are important to understand. Our objectives were to (1) describe thermal characteristics in cavities between June 3 and August 9, 2014, and (2) investigate the environmental factors that influence cavity temperatures. We placed iButtons in 84 different cavities in ponderosa pine (Pinus ponderosa) forests in central Washington, and took hourly measurements for at least 8 days in each cavity. Temperatures above 40 °C are generally lethal to developing avian embryos, and 18% of the cavities had internal temperatures of ≥ 40 °C for at least 1 h of each day. We modeled daily maximum cavity temperature, the amplitude of daily cavity temperatures, and the difference between the mean internal cavity and mean ambient temperatures as a function of several environmental variables. These variables included canopy cover, tree diameter at cavity height, cavity volume, entrance area, the hardness of the cavity body, the hardness of the cavity sill (which is the wood below the cavity entrance which forms the barrier between the cavity and the external environment), and sill width. Ambient temperature had the largest effect size for maximum cavity temperature and amplitude. Larger trees with harder sills may provide more thermally stable cavity environments, and decayed sills were positively associated with maximum cavity temperatures. Summer temperatures are projected to increase in this region, and additional research is needed to determine how the thermal environments of cavities will influence species occupancy, breeding, and survival.

  12. POLYAR, a new computer program for prediction of poly(A sites in human sequences

    Directory of Open Access Journals (Sweden)

    Qamar Raheel

    2010-11-01

    Full Text Available Abstract Background mRNA polyadenylation is an essential step of pre-mRNA processing in eukaryotes. Accurate prediction of the pre-mRNA 3'-end cleavage/polyadenylation sites is important for defining the gene boundaries and understanding gene expression mechanisms. Results 28761 human mapped poly(A sites have been classified into three classes containing different known forms of polyadenylation signal (PAS or none of them (PAS-strong, PAS-weak and PAS-less, respectively and a new computer program POLYAR for the prediction of poly(A sites of each class was developed. In comparison with polya_svm (till date the most accurate computer program for prediction of poly(A sites while searching for PAS-strong poly(A sites in human sequences, POLYAR had a significantly higher prediction sensitivity (80.8% versus 65.7% and specificity (66.4% versus 51.7% However, when a similar sort of search was conducted for PAS-weak and PAS-less poly(A sites, both programs had a very low prediction accuracy, which indicates that our knowledge about factors involved in the determination of the poly(A sites is not sufficient to identify such polyadenylation regions. Conclusions We present a new classification of polyadenylation sites into three classes and a novel computer program POLYAR for prediction of poly(A sites/regions of each of the class. In tests, POLYAR shows high accuracy of prediction of the PAS-strong poly(A sites, though this program's efficiency in searching for PAS-weak and PAS-less poly(A sites is not very high but is comparable to other available programs. These findings suggest that additional characteristics of such poly(A sites remain to be elucidated. POLYAR program with a stand-alone version for downloading is available at http://cub.comsats.edu.pk/polyapredict.htm.

  13. accelerating cavity

    CERN Multimedia

    On the inside of the cavity there is a layer of niobium. Operating at 4.2 degrees above absolute zero, the niobium is superconducting and carries an accelerating field of 6 million volts per metre with negligible losses. Each cavity has a surface of 6 m2. The niobium layer is only 1.2 microns thick, ten times thinner than a hair. Such a large area had never been coated to such a high accuracy. A speck of dust could ruin the performance of the whole cavity so the work had to be done in an extremely clean environment.

  14. Using sequence-specific chemical and structural properties of DNA to predict transcription factor binding sites.

    Directory of Open Access Journals (Sweden)

    Amy L Bauer

    2010-11-01

    Full Text Available An important step in understanding gene regulation is to identify the DNA binding sites recognized by each transcription factor (TF. Conventional approaches to prediction of TF binding sites involve the definition of consensus sequences or position-specific weight matrices and rely on statistical analysis of DNA sequences of known binding sites. Here, we present a method called SiteSleuth in which DNA structure prediction, computational chemistry, and machine learning are applied to develop models for TF binding sites. In this approach, binary classifiers are trained to discriminate between true and false binding sites based on the sequence-specific chemical and structural features of DNA. These features are determined via molecular dynamics calculations in which we consider each base in different local neighborhoods. For each of 54 TFs in Escherichia coli, for which at least five DNA binding sites are documented in RegulonDB, the TF binding sites and portions of the non-coding genome sequence are mapped to feature vectors and used in training. According to cross-validation analysis and a comparison of computational predictions against ChIP-chip data available for the TF Fis, SiteSleuth outperforms three conventional approaches: Match, MATRIX SEARCH, and the method of Berg and von Hippel. SiteSleuth also outperforms QPMEME, a method similar to SiteSleuth in that it involves a learning algorithm. The main advantage of SiteSleuth is a lower false positive rate.

  15. radiofrequency cavity

    CERN Multimedia

    1988-01-01

    The pulse of a particle accelerator. 128 of these radio frequency cavities were positioned around CERN's 27-kilometre LEP ring to accelerate electrons and positrons. The acceleration was produced by microwave electric oscillations at 352 MHz. The electrons and positrons were grouped into bunches, like beads on a string, and the copper sphere at the top stored the microwave energy between the passage of individual bunches. This made for valuable energy savings as it reduced the heat generated in the cavity.

  16. Prediction of site specific ground motion for large earthquake

    International Nuclear Information System (INIS)

    Kamae, Katsuhiro; Irikura, Kojiro; Fukuchi, Yasunaga.

    1990-01-01

    In this paper, we apply the semi-empirical synthesis method by IRIKURA (1983, 1986) to the estimation of site specific ground motion using accelerograms observed at Kumatori in Osaka prefecture. Target earthquakes used here are a comparatively distant earthquake (Δ=95 km, M=5.6) caused by the YAMASAKI fault and a near earthquake (Δ=27 km, M=5.6). The results obtained are as follows. 1) The accelerograms from the distant earthquake (M=5.6) are synthesized using the aftershock records (M=4.3) for 1983 YAMASAKI fault earthquake whose source parameters have been obtained by other authors from the hypocentral distribution of the aftershocks. The resultant synthetic motions show a good agreement with the observed ones. 2) The synthesis for a near earthquake (M=5.6, we call this target earthquake) are made using a small earthquake which occurred in the neighborhood of the target earthquake. Here, we apply two methods for giving the parameters for synthesis. One method is to use the parameters of YAMASAKI fault earthquake which has the same magnitude as the target earthquake, and the other is to use the parameters obtained from several existing empirical formulas. The resultant synthetic motion with the former parameters shows a good agreement with the observed one, but that with the latter does not. 3) We estimate the source parameters from the source spectra of several earthquakes which have been observed in this site. Consequently we find that the small earthquakes (M<4) as Green's functions should be carefully used because the stress drops are not constant. 4) We propose that we should designate not only the magnitudes but also seismic moments of the target earthquake and the small earthquake. (J.P.N.)

  17. An Overview of the Prediction of Protein DNA-Binding Sites

    Directory of Open Access Journals (Sweden)

    Jingna Si

    2015-03-01

    Full Text Available Interactions between proteins and DNA play an important role in many essential biological processes such as DNA replication, transcription, splicing, and repair. The identification of amino acid residues involved in DNA-binding sites is critical for understanding the mechanism of these biological activities. In the last decade, numerous computational approaches have been developed to predict protein DNA-binding sites based on protein sequence and/or structural information, which play an important role in complementing experimental strategies. At this time, approaches can be divided into three categories: sequence-based DNA-binding site prediction, structure-based DNA-binding site prediction, and homology modeling and threading. In this article, we review existing research on computational methods to predict protein DNA-binding sites, which includes data sets, various residue sequence/structural features, machine learning methods for comparison and selection, evaluation methods, performance comparison of different tools, and future directions in protein DNA-binding site prediction. In particular, we detail the meta-analysis of protein DNA-binding sites. We also propose specific implications that are likely to result in novel prediction methods, increased performance, or practical applications.

  18. An overview of the prediction of protein DNA-binding sites.

    Science.gov (United States)

    Si, Jingna; Zhao, Rui; Wu, Rongling

    2015-03-06

    Interactions between proteins and DNA play an important role in many essential biological processes such as DNA replication, transcription, splicing, and repair. The identification of amino acid residues involved in DNA-binding sites is critical for understanding the mechanism of these biological activities. In the last decade, numerous computational approaches have been developed to predict protein DNA-binding sites based on protein sequence and/or structural information, which play an important role in complementing experimental strategies. At this time, approaches can be divided into three categories: sequence-based DNA-binding site prediction, structure-based DNA-binding site prediction, and homology modeling and threading. In this article, we review existing research on computational methods to predict protein DNA-binding sites, which includes data sets, various residue sequence/structural features, machine learning methods for comparison and selection, evaluation methods, performance comparison of different tools, and future directions in protein DNA-binding site prediction. In particular, we detail the meta-analysis of protein DNA-binding sites. We also propose specific implications that are likely to result in novel prediction methods, increased performance, or practical applications.

  19. Prediction of protein-protein interaction sites in sequences and 3D structures by random forests.

    Directory of Open Access Journals (Sweden)

    Mile Sikić

    2009-01-01

    Full Text Available Identifying interaction sites in proteins provides important clues to the function of a protein and is becoming increasingly relevant in topics such as systems biology and drug discovery. Although there are numerous papers on the prediction of interaction sites using information derived from structure, there are only a few case reports on the prediction of interaction residues based solely on protein sequence. Here, a sliding window approach is combined with the Random Forests method to predict protein interaction sites using (i a combination of sequence- and structure-derived parameters and (ii sequence information alone. For sequence-based prediction we achieved a precision of 84% with a 26% recall and an F-measure of 40%. When combined with structural information, the prediction performance increases to a precision of 76% and a recall of 38% with an F-measure of 51%. We also present an attempt to rationalize the sliding window size and demonstrate that a nine-residue window is the most suitable for predictor construction. Finally, we demonstrate the applicability of our prediction methods by modeling the Ras-Raf complex using predicted interaction sites as target binding interfaces. Our results suggest that it is possible to predict protein interaction sites with quite a high accuracy using only sequence information.

  20. PROSPER: an integrated feature-based tool for predicting protease substrate cleavage sites.

    Directory of Open Access Journals (Sweden)

    Jiangning Song

    Full Text Available The ability to catalytically cleave protein substrates after synthesis is fundamental for all forms of life. Accordingly, site-specific proteolysis is one of the most important post-translational modifications. The key to understanding the physiological role of a protease is to identify its natural substrate(s. Knowledge of the substrate specificity of a protease can dramatically improve our ability to predict its target protein substrates, but this information must be utilized in an effective manner in order to efficiently identify protein substrates by in silico approaches. To address this problem, we present PROSPER, an integrated feature-based server for in silico identification of protease substrates and their cleavage sites for twenty-four different proteases. PROSPER utilizes established specificity information for these proteases (derived from the MEROPS database with a machine learning approach to predict protease cleavage sites by using different, but complementary sequence and structure characteristics. Features used by PROSPER include local amino acid sequence profile, predicted secondary structure, solvent accessibility and predicted native disorder. Thus, for proteases with known amino acid specificity, PROSPER provides a convenient, pre-prepared tool for use in identifying protein substrates for the enzymes. Systematic prediction analysis for the twenty-four proteases thus far included in the database revealed that the features we have included in the tool strongly improve performance in terms of cleavage site prediction, as evidenced by their contribution to performance improvement in terms of identifying known cleavage sites in substrates for these enzymes. In comparison with two state-of-the-art prediction tools, PoPS and SitePrediction, PROSPER achieves greater accuracy and coverage. To our knowledge, PROSPER is the first comprehensive server capable of predicting cleavage sites of multiple proteases within a single substrate

  1. Using TESS to predict transcription factor binding sites in DNA sequence.

    Science.gov (United States)

    Schug, Jonathan

    2008-03-01

    This unit describes how to use the Transcription Element Search System (TESS). This Web site predicts transcription factor binding sites (TFBS) in DNA sequence using two different kinds of models of sites, strings and positional weight matrices. The binding of transcription factors to DNA is a major part of the control of gene expression. Transcription factors exhibit sequence-specific binding; they form stronger bonds to some DNA sequences than to others. Identification of a good binding site in the promoter for a gene suggests the possibility that the corresponding factor may play a role in the regulation of that gene. However, the sequences transcription factors recognize are typically short and allow for some amount of mismatch. Because of this, binding sites for a factor can typically be found at random every few hundred to a thousand base pairs. TESS has features to help sort through and evaluate the significance of predicted sites.

  2. Prediction, conservation analysis, and structural characterization of mammalian mucin-type O-glycosylation sites

    DEFF Research Database (Denmark)

    Julenius, Karin; Mølgaard, Anne; Gupta, Ramneek

    2005-01-01

    could be predicted from averaged properties together with the fact that glycosylation sites are not precisely conserved indicates that mucin-type glycosylation in most cases is a bulk property and not a very site-specific one. NetOGlyc 3.1 is made available at www.cbs.dtu.dk/services/netoglyc....

  3. Local temperatures predict breeding phenology but do not result in breeding synchrony among a community of resident cavity-nesting birds.

    Science.gov (United States)

    Drake, Anna; Martin, Kathy

    2018-02-09

    Weather and ecological factors are known to influence breeding phenology and thus individual fitness. We predicted concordance between weather conditions and annual variation in phenology within a community of eight resident, cavity-nesting bird species over a 17-year period. We show that, although clutch initiation dates for six of our eight species are correlated with local daily maximum temperatures, this common driver does not produce a high degree of breeding synchrony due to species-specific responses to conditions during different periods of the preceding winter or spring. These "critical temperature periods" were positively associated with average lay date for each species, although the interval between critical periods and clutch initiation varied from 4-78 days. The ecological factors we examined (cavity availability and a food pulse) had an additional influence on timing in only one of our eight focal species. Our results have strong implications for understanding heterogeneous wildlife responses to climate change: divergent responses would be expected within communities where species respond to local conditions within different temporal windows, due to differing warming trends between winter and spring. Our system therefore indicates that climate change could alter relative breeding phenology among sympatric species in temperate ecosystems.

  4. Ensemble approach combining multiple methods improves human transcription start site prediction.

    LENUS (Irish Health Repository)

    Dineen, David G

    2010-01-01

    The computational prediction of transcription start sites is an important unsolved problem. Some recent progress has been made, but many promoters, particularly those not associated with CpG islands, are still difficult to locate using current methods. These methods use different features and training sets, along with a variety of machine learning techniques and result in different prediction sets.

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

    Science.gov (United States)

    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.

  6. Predicting the Parturition Date in Bitches of Different Body Weight by Ultrasonographic Measurements of Inner Chorionic Cavity Diameter and Biparietal Diameter.

    Science.gov (United States)

    Socha, P; Janowski, T

    2014-04-01

    Predicting the parturition date in dogs by taking ultrasonographic foetometry has opened interesting research areas of veterinary obstetrics. Recently developed calculation formulas of inner chorionic cavity diameter (ICC) and biparietal diameter (BP) are formulas by Luvoni and Grioni (2000). This study is one of the first reports referring to ICC and BP with the use of Luvoni and Grioni formulas for predicting the parturition time in dogs of different body weight in clinical practice conditions. The research material consists of 70 clinically healthy pregnant bitches of 27 breeds and cross-breeds. Bitches were divided into 4 groups according to their body weight. In each of the bitches, ultrasonographic examination of pregnancy was performed at least twice (ICC and BP measurements). Parturition dates for dogs with a body weight over 25 kg were calculated based on formulas intended for the group of medium dogs. It was caused by the lack of appropriate formulas for these groups of dogs. The predicting parturition dates were compared with the actual dates of delivery provided by the bitch owners. Generally, the results obtained in this study are very encouraging and similar or even better than those published by other authors using foetometric measurements. In our research, when comparing the effectiveness of predicting the delivery date based on foetometric formulas by Luvoni and Grioni (2000), it was proved that in all groups of dogs, even those over 25 kg, ICC and BP measurements at both accuracy levels were characterized similar reliability. © 2014 Blackwell Verlag GmbH.

  7. The IntFOLD server: an integrated web resource for protein fold recognition, 3D model quality assessment, intrinsic disorder prediction, domain prediction and ligand binding site prediction.

    Science.gov (United States)

    Roche, Daniel B; Buenavista, Maria T; Tetchner, Stuart J; McGuffin, Liam J

    2011-07-01

    The IntFOLD server is a novel independent server that integrates several cutting edge methods for the prediction of structure and function from sequence. Our guiding principles behind the server development were as follows: (i) to provide a simple unified resource that makes our prediction software accessible to all and (ii) to produce integrated output for predictions that can be easily interpreted. The output for predictions is presented as a simple table that summarizes all results graphically via plots and annotated 3D models. The raw machine readable data files for each set of predictions are also provided for developers, which comply with the Critical Assessment of Methods for Protein Structure Prediction (CASP) data standards. The server comprises an integrated suite of five novel methods: nFOLD4, for tertiary structure prediction; ModFOLD 3.0, for model quality assessment; DISOclust 2.0, for disorder prediction; DomFOLD 2.0 for domain prediction; and FunFOLD 1.0, for ligand binding site prediction. Predictions from the IntFOLD server were found to be competitive in several categories in the recent CASP9 experiment. The IntFOLD server is available at the following web site: http://www.reading.ac.uk/bioinf/IntFOLD/.

  8. Thermal performance prediction and sensitivity analysis for future deployment of molten salt cavity receiver solar power plants in Algeria

    International Nuclear Information System (INIS)

    Boudaoud, S.; Khellaf, A.; Mohammedi, K.; Behar, O.

    2015-01-01

    Highlights: • Performance of power plant with molten salt cavity receiver is assessed. • A method has been used to optimize the plant solar multiple, capacity factor and LEC. • Comparison of the simulated results to those of PS20 has shown good agreement. • Higher fossil fuel fraction reduces the LEC and increases the capacity factor. • Highland and Sahara regions are suitable for CRS plants deployment. - Abstract: Of all Concentrating Solar Power (CSP) technologies available today, the molten salt solar power plant appears to be the most important option for providing a major share of the clean and renewable electricity needed in the future. In the present paper, a technical and economic analysis for the implementation of a probable molten salt cavity receiver thermal power plant in Algeria has been carried out. In order to do so, we have investigated the effect of solar field size, storage capacity factor, solar radiation intensity, hybridization and power plant capacity on the thermal efficiency and electricity cost of the selected plant. The system advisor model has been used to perform the technical performance and the economic assessment for different locations (coastal, highland and Sahara regions) in Algeria. Taking into account various factors, a method has been applied to optimize the solar multiple and the capacity factor of the plant, to get a trade-off between the incremental investment costs of the heliostat field and the thermal energy storage. The analysis has shown that the use of higher fossil fuel fraction significantly reduces the levelized electricity cost (LEC) and sensibly increases the capacity factor (CF). The present study indicates that hybrid molten salt solar tower power technology is very promising. The CF and the LEC have been found to be respectively of the order of 71% and 0.35 $/kW e . For solar-only power plants, these parameters are respectively about 27% and 0.63 $/kW e . Therefore, hybrid central receiver systems are

  9. Prediction of protein hydration sites from sequence by modular neural networks

    DEFF Research Database (Denmark)

    Ehrlich, L.; Reczko, M.; Bohr, Henrik

    1998-01-01

    The hydration properties of a protein are important determinants of its structure and function. Here, modular neural networks are employed to predict ordered hydration sites using protein sequence information. First, secondary structure and solvent accessibility are predicted from sequence with two...... separate neural networks. These predictions are used as input together with protein sequences for networks predicting hydration of residues, backbone atoms and sidechains. These networks are teined with protein crystal structures. The prediction of hydration is improved by adding information on secondary...... structure and solvent accessibility and, using actual values of these properties, redidue hydration can be predicted to 77% accuracy with a Metthews coefficient of 0.43. However, predicted property data with an accuracy of 60-70% result in less than half the improvement in predictive performance observed...

  10. Site-specific data confirm arsenic exposure predicted by the U.S. Environmental Protection Agency.

    Science.gov (United States)

    Walker, S; Griffin, S

    1998-03-01

    The EPA uses an exposure assessment model to estimate daily intake to chemicals of potential concern. At the Anaconda Superfund site in Montana, the EPA exposure assessment model was used to predict total and speciated urinary arsenic concentrations. Predicted concentrations were then compared to concentrations measured in children living near the site. When site-specific information on concentrations of arsenic in soil, interior dust, and diet, site-specific ingestion rates, and arsenic absorption rates were used, measured and predicted urinary arsenic concentrations were in reasonable agreement. The central tendency exposure assessment model successfully described the measured urinary arsenic concentration for the majority of children at the site. The reasonable maximum exposure assessment model successfully identified the uppermost exposed population. While the agreement between measured and predicted urinary arsenic is good, it is not exact. The variables that were identified which influenced agreement included soil and dust sample collection methodology, daily urinary volume, soil ingestion rate, and the ability to define the exposure unit. The concentration of arsenic in food affected agreement between measured and predicted total urinary arsenic, but was not considered when comparing measured and predicted speciated urinary arsenic. Speciated urinary arsenic is the recommended biomarker for recent inorganic arsenic exposure. By using site-specific data in the exposure assessment model, predicted risks from exposure to arsenic were less than predicted risks would have been if the EPA's default values had been used in the exposure assessment model. This difference resulted in reduced magnitude and cost of remediation while still protecting human health.

  11. Computational prediction of muon stopping sites using ab initio random structure searching (AIRSS)

    Science.gov (United States)

    Liborio, Leandro; Sturniolo, Simone; Jochym, Dominik

    2018-04-01

    The stopping site of the muon in a muon-spin relaxation experiment is in general unknown. There are some techniques that can be used to guess the muon stopping site, but they often rely on approximations and are not generally applicable to all cases. In this work, we propose a purely theoretical method to predict muon stopping sites in crystalline materials from first principles. The method is based on a combination of ab initio calculations, random structure searching, and machine learning, and it has successfully predicted the MuT and MuBC stopping sites of muonium in Si, diamond, and Ge, as well as the muonium stopping site in LiF, without any recourse to experimental results. The method makes use of Soprano, a Python library developed to aid ab initio computational crystallography, that was publicly released and contains all the software tools necessary to reproduce our analysis.

  12. Cross-prediction of the groundwater chemistry at the SKB sites in Sweden. Pilot study

    International Nuclear Information System (INIS)

    Skaarman, C.; Laaksoharju, M.

    1997-08-01

    The possibility to perform a large scale prediction throughout Sweden was tested. The aim of the work was: to collect data and create a groundwater database for current and future use; to see if there is any correlation between data at different sites; to perform a modelling where the groundwater composition at different regions in Sweden is predicted. The outcome of the predictions were compared with the measured data at different sites. The results show that it is possible but more work needs to be done to improve the prediction models. More measurements at depth are needed to enable the use of 3D models. It is also important to include hydrogeological parameters in the groundwater chemical prediction models that are used

  13. Prediction of Lunar- and Martian-Based Intra- and Site-to-Site Task Performance.

    Science.gov (United States)

    Ade, Carl J; Broxterman, Ryan M; Craig, Jesse C; Schlup, Susanna J; Wilcox, Samuel L; Warren, Steve; Kuehl, Phillip; Gude, Dana; Jia, Chen; Barstow, Thomas J

    2016-04-01

    This study aimed to investigate the feasibility of determining the physiological parameters associated with the ability to complete simulated exploration type tasks at metabolic rates which might be expected for lunar and Martian ambulation. Running V̇O2max and gas exchange threshold (GET) were measured in 21 volunteers. Two simulated extravehicular activity field tests were completed in 1 G in regular athletic apparel at two intensities designed to elicit metabolic rates of ∼20.0 and ∼30.0 ml · kg(-1) · min(-1), which are similar to those previously reported for ambulation in simulated lunar- and Martian-based environments, respectively. All subjects were able to complete the field test at the lunar intensity, but 28% were unable to complete the field test at the Martian intensity (non-Finishers). During the Martian field test there were no differences in V̇O2 between Finishers and non-Finishers, but the non-Finishers achieved a greater %V̇O2max compared to Finishers (78.4 ± 4.6% vs. 64.9 ± 9.6%). Logistic regression analysis revealed fitness thresholds for a predicted probability of 0.5, at which Finishing and non-Finishing are equally likely, and 0.75, at which an individual has a 75% chance of Finishing, to be a V̇O2max of 38.4 ml · kg(-1) · min(-1) and 40.0 ml · kg(-1) · min(-1) or a GET of 20.1 ml · kg(-1) · min(-1) and 25.1 ml · kg(-1) · min(-1), respectively (χ(2) = 10.2). Logistic regression analysis also revealed that the expected %V̇O2max required to complete a field test could be used to successfully predict performance (χ(2) = 19.3). The results of the present investigation highlight the potential utility of V̇O2max, particularly as it relates to the metabolic demands of a surface ambulation, in defining successful completion of planetary-based exploration field tests.

  14. Novel immunohistochemistry-based signatures to predict metastatic site of triple-negative breast cancers.

    Science.gov (United States)

    Klimov, Sergey; Rida, Padmashree Cg; Aleskandarany, Mohammed A; Green, Andrew R; Ellis, Ian O; Janssen, Emiel Am; Rakha, Emad A; Aneja, Ritu

    2017-09-05

    Although distant metastasis (DM) in breast cancer (BC) is the most lethal form of recurrence and the most common underlying cause of cancer related deaths, the outcome following the development of DM is related to the site of metastasis. Triple negative BC (TNBC) is an aggressive form of BC characterised by early recurrences and high mortality. Athough multiple variables can be used to predict the risk of metastasis, few markers can predict the specific site of metastasis. This study aimed at identifying a biomarker signature to predict particular sites of DM in TNBC. A clinically annotated series of 322 TNBC were immunohistochemically stained with 133 biomarkers relevant to BC, to develop multibiomarker models for predicting metastasis to the bone, liver, lung and brain. Patients who experienced metastasis to each site were compared with those who did not, by gradually filtering the biomarker set via a two-tailed t-test and Cox univariate analyses. Biomarker combinations were finally ranked based on statistical significance, and evaluated in multivariable analyses. Our final models were able to stratify TNBC patients into high risk groups that showed over 5, 6, 7 and 8 times higher risk of developing metastasis to the bone, liver, lung and brain, respectively, than low-risk subgroups. These models for predicting site-specific metastasis retained significance following adjustment for tumour size, patient age and chemotherapy status. Our novel IHC-based biomarkers signatures, when assessed in primary TNBC tumours, enable prediction of specific sites of metastasis, and potentially unravel biomarkers previously unknown in site tropism.

  15. Segregation gettering by implantation-formed cavities and B-Si precipitates in silicon

    International Nuclear Information System (INIS)

    Myers, S.M.; Petersen, G.A.; Follstaedt, D.M.

    1998-01-01

    The authors show that Fe, Co, Cu, and Au in Si undergo strong segregation gettering to cavities and B-Si precipitates formed by He or B ion implantation and annealing. The respective mechanisms are argued to be chemisorption on the cavity walls and occupation of solution sites within the disordered, B-rich, B-Si phase. The strengths of the reactions are evaluated, enabling prediction of gettering performance

  16. SITE-94. Discrete-feature modelling of the Aespoe Site: 3. Predictions of hydrogeological parameters for performance assessment

    International Nuclear Information System (INIS)

    Geier, J.E.

    1996-12-01

    A 3-dimensional, discrete-feature hydrological model is developed. The model integrates structural and hydrologic data for the Aespoe site, on scales ranging from semi regional fracture zones to individual fractures in the vicinity of the nuclear waste canisters. Predicted parameters for the near field include fracture spacing, fracture aperture, and Darcy velocity at each of forty canister deposition holes. Parameters for the far field include discharge location, Darcy velocity, effective longitudinal dispersion coefficient and head gradient, flow porosity, and flow wetted surface, for each canister source that discharges to the biosphere. Results are presented in the form of statistical summaries for a total of 42 calculation cases, which treat a set of 25 model variants in various combinations. The variants for the SITE-94 Reference Case model address conceptual and parametric uncertainty related to the site-scale hydrogeologic model and its properties, the fracture network within the repository, effective semi regional boundary conditions for the model, and the disturbed-rock zone around the repository tunnels and shafts. Two calculation cases simulate hydrologic conditions that are predicted to occur during future glacial episodes. 30 refs

  17. Differences in incidence and survival of oral cavity and pharyngeal cancers between Germany and the United States depend on the HPV-association of the cancer site.

    Science.gov (United States)

    Jansen, L; Buttmann-Schweiger, N; Listl, S; Ressing, M; Holleczek, B; Katalinic, A; Luttmann, S; Kraywinkel, K; Brenner, H

    2018-01-01

    The epidemiology of squamous cell oral cavity and pharyngeal cancers (OCPC) has changed rapidly during the last years, possibly due to an increase of human papilloma virus (HPV) positive tumors and successes in tobacco prevention. Here, we compare incidence and survival of OCPC by HPV-relation of the site in Germany and the United States (US). Age-standardized and age-specific incidence and 5-year relative survival was estimated using data from population-based cancer registries in Germany and the US Surveillance Epidemiology and End Results (SEER) 13 database. Incidence was estimated for each year between 1999 and 2013. Relative survival for 2002-2005, 2006-2009, and 2010-2013 was estimated using period analysis. The datasets included 52,787 and 48,861 cases with OCPC diagnosis between 1997 and 2013 in Germany and the US. Incidence was much higher in Germany compared to the US for HPV-unrelated OCPC and more recently also for HPV-related OCPC in women. Five-year relative survival differences between Germany and the US were small for HPV-unrelated OCPC. For HPV-related OCPC, men had higher survival in the US (62.1%) than in Germany (45.4%) in 2010-2013. These differences increased over time and were largest in younger patients and stage IV disease without metastasis. In contrast, women had comparable survival for HPV-related OCPC in both countries. Strong survival differences between Germany and the US were observed for HPV-related OCPC in men, which might be explained by differences in HPV-attributable proportions. Close monitoring of the epidemiology of OCPC in each country is needed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Better estimation of protein-DNA interaction parameters improve prediction of functional sites

    Directory of Open Access Journals (Sweden)

    O'Flanagan Ruadhan A

    2008-12-01

    Full Text Available Abstract Background Characterizing transcription factor binding motifs is a common bioinformatics task. For transcription factors with variable binding sites, we need to get many suboptimal binding sites in our training dataset to get accurate estimates of free energy penalties for deviating from the consensus DNA sequence. One procedure to do that involves a modified SELEX (Systematic Evolution of Ligands by Exponential Enrichment method designed to produce many such sequences. Results We analyzed low stringency SELEX data for E. coli Catabolic Activator Protein (CAP, and we show here that appropriate quantitative analysis improves our ability to predict in vitro affinity. To obtain large number of sequences required for this analysis we used a SELEX SAGE protocol developed by Roulet et al. The sequences obtained from here were subjected to bioinformatic analysis. The resulting bioinformatic model characterizes the sequence specificity of the protein more accurately than those sequence specificities predicted from previous analysis just by using a few known binding sites available in the literature. The consequences of this increase in accuracy for prediction of in vivo binding sites (and especially functional ones in the E. coli genome are also discussed. We measured the dissociation constants of several putative CAP binding sites by EMSA (Electrophoretic Mobility Shift Assay and compared the affinities to the bioinformatics scores provided by methods like the weight matrix method and QPMEME (Quadratic Programming Method of Energy Matrix Estimation trained on known binding sites as well as on the new sites from SELEX SAGE data. We also checked predicted genome sites for conservation in the related species S. typhimurium. We found that bioinformatics scores based on SELEX SAGE data does better in terms of prediction of physical binding energies as well as in detecting functional sites. Conclusion We think that training binding site detection

  19. Prediction of allosteric sites on protein surfaces with an elastic-network-model-based thermodynamic method.

    Science.gov (United States)

    Su, Ji Guo; Qi, Li Sheng; Li, Chun Hua; Zhu, Yan Ying; Du, Hui Jing; Hou, Yan Xue; Hao, Rui; Wang, Ji Hua

    2014-08-01

    Allostery is a rapid and efficient way in many biological processes to regulate protein functions, where binding of an effector at the allosteric site alters the activity and function at a distant active site. Allosteric regulation of protein biological functions provides a promising strategy for novel drug design. However, how to effectively identify the allosteric sites remains one of the major challenges for allosteric drug design. In the present work, a thermodynamic method based on the elastic network model was proposed to predict the allosteric sites on the protein surface. In our method, the thermodynamic coupling between the allosteric and active sites was considered, and then the allosteric sites were identified as those where the binding of an effector molecule induces a large change in the binding free energy of the protein with its ligand. Using the proposed method, two proteins, i.e., the 70 kD heat shock protein (Hsp70) and GluA2 alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid (AMPA) receptor, were studied and the allosteric sites on the protein surface were successfully identified. The predicted results are consistent with the available experimental data, which indicates that our method is a simple yet effective approach for the identification of allosteric sites on proteins.

  20. Establishing a predictive maintenance (PdM) program at the Hanford Site

    International Nuclear Information System (INIS)

    Murray, W.A.; Winslow, R.G.

    1994-02-01

    The production reactors have been shut down for some time. But for the rest of the site, there is currently about 16,000 people engaged in a multi-billion dollar effort to safely process wastes which have been stored at the site since the 1940's. This effort also includes demolition of some older facilities and environmental restoration of much of the site. This is expected to take approximately 30 to 40 years. The concept of a site-wide predictive maintenance (PdM) program began to form in early 1993. Several informal studies showed that the stand alone predictive maintenance groups which had prevailed on site to date were less than 15% effective at trending equipment conditions and predicting failures. To improve the effectiveness of PdM within the company, an engineering analysis by Rick Winslow confirmed that utilization of software networking technology which was now available would significantly overcome many of these built in handicaps. A site-wide predictive maintenance network would make PdM technology accessible to all of the areas and facilities at the site regardless of geographical distances and company division lines. Site resident vibration experts can easily be located and provide consultations on the network. However, it was recognized that strong leadership and management skills would be required within each of the two organizations for effective implementation. To start this process, a letter of understanding and agreement between the facilities and Tank Farm divisions was drafted and endorsed by company management. The agreement assigned the primary responsibility of acquiring the network software and licensee to the Tank Farms division. The acquisition and installation of the network server would be the responsibility of the facilities division. This paper describes the rest of the network development and implementation process

  1. Predicting Ligand Binding Sites on Protein Surfaces by 3-Dimensional Probability Density Distributions of Interacting Atoms

    Science.gov (United States)

    Jian, Jhih-Wei; Elumalai, Pavadai; Pitti, Thejkiran; Wu, Chih Yuan; Tsai, Keng-Chang; Chang, Jeng-Yih; Peng, Hung-Pin; Yang, An-Suei

    2016-01-01

    Predicting ligand binding sites (LBSs) on protein structures, which are obtained either from experimental or computational methods, is a useful first step in functional annotation or structure-based drug design for the protein structures. In this work, the structure-based machine learning algorithm ISMBLab-LIG was developed to predict LBSs on protein surfaces with input attributes derived from the three-dimensional probability density maps of interacting atoms, which were reconstructed on the query protein surfaces and were relatively insensitive to local conformational variations of the tentative ligand binding sites. The prediction accuracy of the ISMBLab-LIG predictors is comparable to that of the best LBS predictors benchmarked on several well-established testing datasets. More importantly, the ISMBLab-LIG algorithm has substantial tolerance to the prediction uncertainties of computationally derived protein structure models. As such, the method is particularly useful for predicting LBSs not only on experimental protein structures without known LBS templates in the database but also on computationally predicted model protein structures with structural uncertainties in the tentative ligand binding sites. PMID:27513851

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

    Science.gov (United States)

    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 .

  3. Pharmacological considerations for predicting PK/PD at the site of action for therapeutic proteins.

    Science.gov (United States)

    Wang, Weirong; Zhou, Honghui

    For therapeutic proteins whose sites of action are distal to the systemic circulation, both drug and target concentrations at the tissue sites are not necessarily proportional to those in systemic circulation, highlighting the importance of understanding pharmacokinetic/pharmacodynamic (PK/PD) relationship at the sites of action. This review summarizes the pharmacological considerations for predicting local PK/PD and the importance of measuring PK and PD at site of action. Three case examples are presented to show how mechanistic and physiologically based PK/PD (PBPK/PD) models which incorporated the PK and PD at the tissue site can be used to facilitate understanding the exposure-response relationship for therapeutic proteins. Copyright © 2016. Published by Elsevier Ltd.

  4. Prediction of transcriptional regulatory sites in the complete genome sequence of Escherichia coli K-12.

    Science.gov (United States)

    Thieffry, D; Salgado, H; Huerta, A M; Collado-Vides, J

    1998-06-01

    As one of the best-characterized free-living organisms, Escherichia coli and its recently completed genomic sequence offer a special opportunity to exploit systematically the variety of regulatory data available in the literature in order to make a comprehensive set of regulatory predictions in the whole genome. The complete genome sequence of E.coli was analyzed for the binding of transcriptional regulators upstream of coding sequences. The biological information contained in RegulonDB (Huerta, A.M. et al., Nucleic Acids Res.,26,55-60, 1998) for 56 different transcriptional proteins was the support to implement a stringent strategy combining string search and weight matrices. We estimate that our search included representatives of 15-25% of the total number of regulatory binding proteins in E.coli. This search was performed on the set of 4288 putative regulatory regions, each 450 bp long. Within the regions with predicted sites, 89% are regulated by one protein and 81% involve only one site. These numbers are reasonably consistent with the distribution of experimental regulatory sites. Regulatory sites are found in 603 regions corresponding to 16% of operon regions and 10% of intra-operonic regions. Additional evidence gives stronger support to some of these predictions, including the position of the site, biological consistency with the function of the downstream gene, as well as genetic evidence for the regulatory interaction. The predictions described here were incorporated into the map presented in the paper describing the complete E.coli genome (Blattner,F.R. et al., Science, 277, 1453-1461, 1997). The complete set of predictions in GenBank format is available at the url: http://www. cifn.unam.mx/Computational_Biology/E.coli-predictions ecoli-reg@cifn.unam.mx, collado@cifn.unam.mx

  5. Analysis and prediction of Multiple-Site Damage (MSD) fatigue crack growth

    Science.gov (United States)

    Dawicke, D. S.; Newman, J. C., Jr.

    1992-08-01

    A technique was developed to calculate the stress intensity factor for multiple interacting cracks. The analysis was verified through comparison with accepted methods of calculating stress intensity factors. The technique was incorporated into a fatigue crack growth prediction model and used to predict the fatigue crack growth life for multiple-site damage (MSD). The analysis was verified through comparison with experiments conducted on uniaxially loaded flat panels with multiple cracks. Configuration with nearly equal and unequal crack distribution were examined. The fatigue crack growth predictions agreed within 20 percent of the experimental lives for all crack configurations considered.

  6. Analysis and prediction of Multiple-Site Damage (MSD) fatigue crack growth

    Science.gov (United States)

    Dawicke, D. S.; Newman, J. C., Jr.

    1992-01-01

    A technique was developed to calculate the stress intensity factor for multiple interacting cracks. The analysis was verified through comparison with accepted methods of calculating stress intensity factors. The technique was incorporated into a fatigue crack growth prediction model and used to predict the fatigue crack growth life for multiple-site damage (MSD). The analysis was verified through comparison with experiments conducted on uniaxially loaded flat panels with multiple cracks. Configuration with nearly equal and unequal crack distribution were examined. The fatigue crack growth predictions agreed within 20 percent of the experimental lives for all crack configurations considered.

  7. Assessing the model transferability for prediction of transcription factor binding sites based on chromatin accessibility.

    Science.gov (United States)

    Liu, Sheng; Zibetti, Cristina; Wan, Jun; Wang, Guohua; Blackshaw, Seth; Qian, Jiang

    2017-07-27

    Computational prediction of transcription factor (TF) binding sites in different cell types is challenging. Recent technology development allows us to determine the genome-wide chromatin accessibility in various cellular and developmental contexts. The chromatin accessibility profiles provide useful information in prediction of TF binding events in various physiological conditions. Furthermore, ChIP-Seq analysis was used to determine genome-wide binding sites for a range of different TFs in multiple cell types. Integration of these two types of genomic information can improve the prediction of TF binding events. We assessed to what extent a model built upon on other TFs and/or other cell types could be used to predict the binding sites of TFs of interest. A random forest model was built using a set of cell type-independent features such as specific sequences recognized by the TFs and evolutionary conservation, as well as cell type-specific features derived from chromatin accessibility data. Our analysis suggested that the models learned from other TFs and/or cell lines performed almost as well as the model learned from the target TF in the cell type of interest. Interestingly, models based on multiple TFs performed better than single-TF models. Finally, we proposed a universal model, BPAC, which was generated using ChIP-Seq data from multiple TFs in various cell types. Integrating chromatin accessibility information with sequence information improves prediction of TF binding.The prediction of TF binding is transferable across TFs and/or cell lines suggesting there are a set of universal "rules". A computational tool was developed to predict TF binding sites based on the universal "rules".

  8. Splice site prediction in Arabidopsis thaliana pre-mRNA by combining local and global sequence information

    DEFF Research Database (Denmark)

    Hebsgaard, Stefan M.; Korning, Peter G.; Tolstrup, Niels

    1996-01-01

    Artificial neural networks have been combined with a rule based system to predict intron splice sites in the dicot plant Arabidopsis thaliana. A two step prediction scheme, where a global prediction of the coding potential regulates a cutoff level for a local predicition of splice sites, is refin...

  9. Work characteristics predict the development of multi-site musculoskeletal pain

    NARCIS (Netherlands)

    Oakman, J.; Wind, A. de; Heuvel, S.G. van den; Beek, A.J. van der

    2017-01-01

    Purpose. Musculoskeletal pain in more than one body region is common and a barrier to sustaining employment. We aimed to examine whether work characteristics predict the development of multi-site pain (MSP), and to determine differences in work-related predictors between age groups. Methods. This

  10. Application of GIS in prediction and assessment system of off-site accident consequence for NPP

    International Nuclear Information System (INIS)

    Wang Xingyu; Shi Zhongqi

    2002-01-01

    The assessment and prediction software system of off-site accident consequence for Guangdong Nuclear Power Plant (GNARD2.0) is a GIS-based software system. The spatial analysis of radioactive materials and doses with geographic information is available in this system. The structure and functions of the GNARD system and the method of applying ArcView GIS are presented

  11. Neural Network Prediction of Translation Initiation Sites in Eukaryotes: Perspectives for EST and Genome analysis

    DEFF Research Database (Denmark)

    Pedersen, Anders Gorm; Nielsen, Henrik

    1997-01-01

    Translation in eukaryotes does not always start at the first AUG in an mRNA, implying that context information also plays a role.This makes prediction of translation initiation sites a non-trivial task, especially when analysing EST and genome data where the entire mature mRNA sequence is not known...

  12. Mapping the heparin-binding site of the BMP antagonist gremlin by site-directed mutagenesis based on predictive modelling.

    Science.gov (United States)

    Tatsinkam, Arnold Junior; Mulloy, Barbara; Rider, Christopher C

    2015-08-15

    Gremlin is a member of the CAN (cerberus and DAN) family of secreted BMP (bone morphogenetic protein) antagonists and also an agonist of VEGF (vascular endothelial growth factor) receptor-2. It is critical in limb skeleton and kidney development and is re-expressed during tissue fibrosis. Gremlin binds strongly to heparin and heparan sulfate and, in the present study, we sought to investigate its heparin-binding site. In order to explore a putative non-contiguous binding site predicted by computational molecular modelling, we substituted a total of 11 key arginines and lysines located in three basic residue sequence clusters with homologous sequences from cerberus and DAN (differential screening selected gene abberative in neuroblastoma), CAN proteins which lack basic residues in these positions. A panel of six Myc-tagged gremlin mutants, MGR-1-MGR-6 (MGR, mutant gremlin), each containing different combinations of targeted substitutions, all showed markedly reduced affinity for heparin as demonstrated by their NaCl elution on heparin affinity chromatography, thus verifying our predictions. Both MGR-5 and MGR-6 retained BMP-4-binding activity comparable to that of wild-type gremlin. Low-molecular-mass heparin neither promoted nor inhibited BMP-4 binding. Finally, glutaraldehyde cross-linking demonstrated that gremlin forms non-covalent dimers, similar behaviour to that of DAN and also PRDC (protein related to cerberus and DAN), another CAN protein. The resulting dimer would possess two heparin-binding sites, each running along an exposed surface on the second β-strand finger loop of one of the monomers. © 2015 Authors; published by Portland Press Limited.

  13. A review of influenza detection and prediction through social networking sites.

    Science.gov (United States)

    Alessa, Ali; Faezipour, Miad

    2018-02-01

    Early prediction of seasonal epidemics such as influenza may reduce their impact in daily lives. Nowadays, the web can be used for surveillance of diseases. Search engines and social networking sites can be used to track trends of different diseases seven to ten days faster than government agencies such as Center of Disease Control and Prevention (CDC). CDC uses the Illness-Like Influenza Surveillance Network (ILINet), which is a program used to monitor Influenza-Like Illness (ILI) sent by thousands of health care providers in order to detect influenza outbreaks. It is a reliable tool, however, it is slow and expensive. For that reason, many studies aim to develop methods that do real time analysis to track ILI using social networking sites. Social media data such as Twitter can be used to predict the spread of flu in the population and can help in getting early warnings. Today, social networking sites (SNS) are used widely by many people to share thoughts and even health status. Therefore, SNS provides an efficient resource for disease surveillance and a good way to communicate to prevent disease outbreaks. The goal of this study is to review existing alternative solutions that track flu outbreak in real time using social networking sites and web blogs. Many studies have shown that social networking sites can be used to conduct real time analysis for better predictions.

  14. Ensemble approach combining multiple methods improves human transcription start site prediction

    LENUS (Irish Health Repository)

    Dineen, David G

    2010-11-30

    Abstract Background The computational prediction of transcription start sites is an important unsolved problem. Some recent progress has been made, but many promoters, particularly those not associated with CpG islands, are still difficult to locate using current methods. These methods use different features and training sets, along with a variety of machine learning techniques and result in different prediction sets. Results We demonstrate the heterogeneity of current prediction sets, and take advantage of this heterogeneity to construct a two-level classifier (\\'Profisi Ensemble\\') using predictions from 7 programs, along with 2 other data sources. Support vector machines using \\'full\\' and \\'reduced\\' data sets are combined in an either\\/or approach. We achieve a 14% increase in performance over the current state-of-the-art, as benchmarked by a third-party tool. Conclusions Supervised learning methods are a useful way to combine predictions from diverse sources.

  15. Probabilistic Assessment of Above Zone Pressure Predictions at a Geologic Carbon Storage Site

    Energy Technology Data Exchange (ETDEWEB)

    Namhata, Argha; Oladyshkin, Sergey; Dilmore, Robert M.; Zhang, Liwei; Nakles, David V.

    2016-12-01

    Carbon dioxide (CO2) storage into geological formations is regarded as an important mitigation strategy for anthropogenic CO2 emissions to the atmosphere. This study first simulates the leakage of CO2 and brine from a storage reservoir through the caprock. Then, we estimate the resulting pressure changes at the zone overlying the caprock also known as Above Zone Monitoring Interval (AZMI). A data-driven approach of arbitrary Polynomial Chaos (aPC) Expansion is then used to quantify the uncertainty in the above zone pressure prediction based on the uncertainties in different geologic parameters. Finally, a global sensitivity analysis is performed with Sobol indices based on the aPC technique to determine the relative importance of different parameters on pressure prediction. The results indicate that there can be uncertainty in pressure prediction locally around the leakage zones. The degree of such uncertainty in prediction depends on the quality of site specific information available for analysis. The scientific results from this study provide substantial insight that there is a need for site-specific data for efficient predictions of risks associated with storage activities. The presented approach can provide a basis of optimized pressure based monitoring network design at carbon storage sites.

  16. Protein-protein interaction site predictions with minimum covariance determinant and Mahalanobis distance.

    Science.gov (United States)

    Qiu, Zhijun; Zhou, Bo; Yuan, Jiangfeng

    2017-11-21

    Protein-protein interaction site (PPIS) prediction must deal with the diversity of interaction sites that limits their prediction accuracy. Use of proteins with unknown or unidentified interactions can also lead to missing interfaces. Such data errors are often brought into the training dataset. In response to these two problems, we used the minimum covariance determinant (MCD) method to refine the training data to build a predictor with better performance, utilizing its ability of removing outliers. In order to predict test data in practice, a method based on Mahalanobis distance was devised to select proper test data as input for the predictor. With leave-one-validation and independent test, after the Mahalanobis distance screening, our method achieved higher performance according to Matthews correlation coefficient (MCC), although only a part of test data could be predicted. These results indicate that data refinement is an efficient approach to improve protein-protein interaction site prediction. By further optimizing our method, it is hopeful to develop predictors of better performance and wide range of application. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Analysis and prediction of gene splice sites in four Aspergillus genomes

    DEFF Research Database (Denmark)

    Wang, Kai; Ussery, David; Brunak, Søren

    2009-01-01

    Several Aspergillus fungal genomic sequences have been published, with many more in progress. Obviously, it is essential to have high-quality, consistently annotated sets of proteins from each of the genomes, in order to make meaningful comparisons. We have developed a dedicated, publicly available......, splice site prediction program called NetAspGene, for the genus Aspergillus. Gene sequences from Aspergillus fumigatus, the most common mould pathogen, were used to build and test our model. Compared to many animals and plants, Aspergillus contains smaller introns; thus we have applied a larger window...... better splice site prediction than other available tools. NetAspGene will be very helpful for the study in Aspergillus splice sites and especially in alternative splicing. A webpage for NetAspGene is publicly available at http://www.cbs.dtu.dk/services/NetAspGene....

  18. Photons in a spherical cavity

    International Nuclear Information System (INIS)

    Ionescu-Pallas, N.; Vlad, V.I.

    1999-01-01

    The spectrum of black body radiation at the absolute temperature T, in an ideal spherical cavity of radius R, is studied. The departures from the classical predictions of Planck's theory, due to the discrete energies of the radiation quanta confined inside the cavity, depend on the adiabatic invariant RT and are significant for RT≤ 1 cm K. Special attention was paid to evidence sudden changes in the spectrum intensities, forbidden bands of frequency, as well as major modifications of the total energy for RT≤ 1 cm K. Similar effects were present in case of a cubic cavity too. (authors)

  19. Features generated for computational splice-site prediction correspond to functional elements

    Directory of Open Access Journals (Sweden)

    Wilbur W John

    2007-10-01

    Full Text Available Abstract Background Accurate selection of splice sites during the splicing of precursors to messenger RNA requires both relatively well-characterized signals at the splice sites and auxiliary signals in the adjacent exons and introns. We previously described a feature generation algorithm (FGA that is capable of achieving high classification accuracy on human 3' splice sites. In this paper, we extend the splice-site prediction to 5' splice sites and explore the generated features for biologically meaningful splicing signals. Results We present examples from the observed features that correspond to known signals, both core signals (including the branch site and pyrimidine tract and auxiliary signals (including GGG triplets and exon splicing enhancers. We present evidence that features identified by FGA include splicing signals not found by other methods. Conclusion Our generated features capture known biological signals in the expected sequence interval flanking splice sites. The method can be easily applied to other species and to similar classification problems, such as tissue-specific regulatory elements, polyadenylation sites, promoters, etc.

  20. Modelling for the Stripa site characterization and validation drift inflow: prediction of flow through fractured rock

    International Nuclear Information System (INIS)

    Herbert, A.; Gale, J.; MacLeod, R.; Lanyon, G.

    1991-12-01

    We present our approach to predicting flow through a fractured rock site; the site characterization and validation region in the Stripa mine. Our approach is based on discrete fracture network modelling using the NAPSAC computer code. We describe the conceptual models and assumptions that we have used to interpret the geometry and flow properties of the fracture networks, from measurements at the site. These are used to investigate large scale properties of the network and we show that for flows on scales larger than about 10 m, porous medium approximation should be used. The porous medium groundwater flow code CFEST is used to predict the large scale flows through the mine and the SCV region. This, in turn, is used to provide boundary conditions for more detailed models, which predict the details of flow, using a discrete fracture network model, on scales of less than 10 m. We conclude that a fracture network approach is feasible and that it provides a better understanding of details of flow than conventional porous medium approaches and a quantification of the uncertainty associated with predictive flow modelling characterised from field measurement in fractured rock. (au)

  1. [Prediction of 137Cs accumulation in animal products in the territory of Semipalatinsk test site].

    Science.gov (United States)

    Spiridonov, S I; Gontarenko, I A; Mukusheva, M K; Fesenko, S V; Semioshkina, N A

    2005-01-01

    The paper describes mathematical models for 137Cs behavior in the organism of horses and sheep pasturing on the bording area to the testing area "Ground Zero" of the Semipalatinsk Test Site. The models are parameterized on the base of the data from an experiment with the breeds of animals now commonly encountered within the Semipalatinsk Test Site. The predictive calculations with the models devised have shown that 137Cs concentrations in milk of horses and sheep pasturingon the testing area to "Ground Zero" can exceed the adopted standards during a long period of time.

  2. High density of tree-cavities and snags in tropical dry forest of western Mexico raises questions for a latitudinal gradient.

    Directory of Open Access Journals (Sweden)

    Leopoldo Vázquez

    Full Text Available It has been suggested that a latitudinal gradient exists of a low density of snags and high density of naturally-formed tree-cavities in tropical vs. temperate forests, though few cavities may have characteristics suitable for nesting by birds. We determined snag and cavity density, characteristics, and suitability for birds in a tropical dry forest biome of western Mexico, and evaluated whether our data fits the trend of snag and cavity density typically found in tropical moist and wet forests. We established five 0.25-ha transects to survey and measure tree-cavities and snags in each of three vegetation types of deciduous, semi-deciduous, and mono-dominant Piranhea mexicana forest, comprising a total of 3.75 ha. We found a high density of 77 cavities/ha, with 37 cavities suitable for birds/ha, where density, and characteristics of cavities varied significantly among vegetation types. Lowest abundance of cavities occurred in deciduous forest, and these were in smaller trees, at a lower height, and with a narrower entrance diameter. Only 8.6% of cavities were excavated by woodpeckers, and only 11% of cavities were occupied, mainly by arthropods, though 52% of all cavities were unsuitable for birds. We also found a high density of 56 snags/ha, with greatest density in deciduous forest (70 snags/ha, though these were of significantly smaller diameter, and snags of larger diameter were more likely to contain cavities. The Chamela-Cuixmala tropical dry forest had the highest density of snags recorded for any tropical or temperate forest, and while snag density was significantly correlated with mean snag dbh, neither latitude nor mean dbh predicted snag density in ten forest sites. The high spatial aggregation of snag and cavity resources in tropical dry forest may limit their availability, particularly for large-bodied cavity adopters, and highlights the importance of habitat heterogeneity in providing resources for primary and secondary cavity-nesters.

  3. High density of tree-cavities and snags in tropical dry forest of western Mexico raises questions for a latitudinal gradient.

    Science.gov (United States)

    Vázquez, Leopoldo; Renton, Katherine

    2015-01-01

    It has been suggested that a latitudinal gradient exists of a low density of snags and high density of naturally-formed tree-cavities in tropical vs. temperate forests, though few cavities may have characteristics suitable for nesting by birds. We determined snag and cavity density, characteristics, and suitability for birds in a tropical dry forest biome of western Mexico, and evaluated whether our data fits the trend of snag and cavity density typically found in tropical moist and wet forests. We established five 0.25-ha transects to survey and measure tree-cavities and snags in each of three vegetation types of deciduous, semi-deciduous, and mono-dominant Piranhea mexicana forest, comprising a total of 3.75 ha. We found a high density of 77 cavities/ha, with 37 cavities suitable for birds/ha, where density, and characteristics of cavities varied significantly among vegetation types. Lowest abundance of cavities occurred in deciduous forest, and these were in smaller trees, at a lower height, and with a narrower entrance diameter. Only 8.6% of cavities were excavated by woodpeckers, and only 11% of cavities were occupied, mainly by arthropods, though 52% of all cavities were unsuitable for birds. We also found a high density of 56 snags/ha, with greatest density in deciduous forest (70 snags/ha), though these were of significantly smaller diameter, and snags of larger diameter were more likely to contain cavities. The Chamela-Cuixmala tropical dry forest had the highest density of snags recorded for any tropical or temperate forest, and while snag density was significantly correlated with mean snag dbh, neither latitude nor mean dbh predicted snag density in ten forest sites. The high spatial aggregation of snag and cavity resources in tropical dry forest may limit their availability, particularly for large-bodied cavity adopters, and highlights the importance of habitat heterogeneity in providing resources for primary and secondary cavity-nesters.

  4. Trends of Abutment-Scour Prediction Equations Applied to 144 Field Sites in South Carolina

    Science.gov (United States)

    Benedict, Stephen T.; Deshpande, Nikhil; Aziz, Nadim M.; Conrads, Paul

    2006-01-01

    The U.S. Geological Survey conducted a study in cooperation with the Federal Highway Administration in which predicted abutment-scour depths computed with selected predictive equations were compared with field measurements of abutment-scour depth made at 144 bridges in South Carolina. The assessment used five equations published in the Fourth Edition of 'Evaluating Scour at Bridges,' (Hydraulic Engineering Circular 18), including the original Froehlich, the modified Froehlich, the Sturm, the Maryland, and the HIRE equations. An additional unpublished equation also was assessed. Comparisons between predicted and observed scour depths are intended to illustrate general trends and order-of-magnitude differences for the prediction equations. Field measurements were taken during non-flood conditions when the hydraulic conditions that caused the scour generally are unknown. The predicted scour depths are based on hydraulic conditions associated with the 100-year flow at all sites and the flood of record for 35 sites. Comparisons showed that predicted scour depths frequently overpredict observed scour and at times were excessive. The comparison also showed that underprediction occurred, but with less frequency. The performance of these equations indicates that they are poor predictors of abutment-scour depth in South Carolina, and it is probable that poor performance will occur when the equations are applied in other geographic regions. Extensive data and graphs used to compare predicted and observed scour depths in this study were compiled into spreadsheets and are included in digital format with this report. In addition to the equation-comparison data, Water-Surface Profile Model tube-velocity data, soil-boring data, and selected abutment-scour data are included in digital format with this report. The digital database was developed as a resource for future researchers and is especially valuable for evaluating the reasonableness of future equations that may be developed.

  5. On splice site prediction using weight array models: a comparison of smoothing techniques

    International Nuclear Information System (INIS)

    Taher, Leila; Meinicke, Peter; Morgenstern, Burkhard

    2007-01-01

    In most eukaryotic genes, protein-coding exons are separated by non-coding introns which are removed from the primary transcript by a process called 'splicing'. The positions where introns are cut and exons are spliced together are called 'splice sites'. Thus, computational prediction of splice sites is crucial for gene finding in eukaryotes. Weight array models are a powerful probabilistic approach to splice site detection. Parameters for these models are usually derived from m-tuple frequencies in trusted training data and subsequently smoothed to avoid zero probabilities. In this study we compare three different ways of parameter estimation for m-tuple frequencies, namely (a) non-smoothed probability estimation, (b) standard pseudo counts and (c) a Gaussian smoothing procedure that we recently developed

  6. SPEER-SERVER: a web server for prediction of protein specificity determining sites.

    Science.gov (United States)

    Chakraborty, Abhijit; Mandloi, Sapan; Lanczycki, Christopher J; Panchenko, Anna R; Chakrabarti, Saikat

    2012-07-01

    Sites that show specific conservation patterns within subsets of proteins in a protein family are likely to be involved in the development of functional specificity. These sites, generally termed specificity determining sites (SDS), might play a crucial role in binding to a specific substrate or proteins. Identification of SDS through experimental techniques is a slow, difficult and tedious job. Hence, it is very important to develop efficient computational methods that can more expediently identify SDS. Herein, we present Specificity prediction using amino acids' Properties, Entropy and Evolution Rate (SPEER)-SERVER, a web server that predicts SDS by analyzing quantitative measures of the conservation patterns of protein sites based on their physico-chemical properties and the heterogeneity of evolutionary changes between and within the protein subfamilies. This web server provides an improved representation of results, adds useful input and output options and integrates a wide range of analysis and data visualization tools when compared with the original standalone version of the SPEER algorithm. Extensive benchmarking finds that SPEER-SERVER exhibits sensitivity and precision performance that, on average, meets or exceeds that of other currently available methods. SPEER-SERVER is available at http://www.hpppi.iicb.res.in/ss/.

  7. Position-specific prediction of methylation sites from sequence conservation based on information theory.

    Science.gov (United States)

    Shi, Yinan; Guo, Yanzhi; Hu, Yayun; Li, Menglong

    2015-07-23

    Protein methylation plays vital roles in many biological processes and has been implicated in various human diseases. To fully understand the mechanisms underlying methylation for use in drug design and work in methylation-related diseases, an initial but crucial step is to identify methylation sites. The use of high-throughput bioinformatics methods has become imperative to predict methylation sites. In this study, we developed a novel method that is based only on sequence conservation to predict protein methylation sites. Conservation difference profiles between methylated and non-methylated peptides were constructed by the information entropy (IE) in a wider neighbor interval around the methylation sites that fully incorporated all of the environmental information. Then, the distinctive neighbor residues were identified by the importance scores of information gain (IG). The most representative model was constructed by support vector machine (SVM) for Arginine and Lysine methylation, respectively. This model yielded a promising result on both the benchmark dataset and independent test set. The model was used to screen the entire human proteome, and many unknown substrates were identified. These results indicate that our method can serve as a useful supplement to elucidate the mechanism of protein methylation and facilitate hypothesis-driven experimental design and validation.

  8. Analysis of the resonance frequency shift in cylindrical cavities containing a sphere and its prediction based on the Boltzmann-Ehrenfest principle

    DEFF Research Database (Denmark)

    Orozco Santillán, Arturo; Cutanda Henriquez, Vicente

    2008-01-01

    of the cavity due to the presence of the levitated object. The Boltzmann-Ehrenfest principle has been used to obtain an analytical expression for the resonance frequency shift in a cylindrical cavity produced by a small sphere, with kR .... The validity of the Boltzmann-Ehrenfest method has been investigated by means of the Boundary Element Method (BEM) and confirmed with experiments....

  9. Computational prediction of cAMP receptor protein (CRP binding sites in cyanobacterial genomes

    Directory of Open Access Journals (Sweden)

    Su Zhengchang

    2009-01-01

    Full Text Available Abstract Background Cyclic AMP receptor protein (CRP, also known as catabolite gene activator protein (CAP, is an important transcriptional regulator widely distributed in many bacteria. The biological processes under the regulation of CRP are highly diverse among different groups of bacterial species. Elucidation of CRP regulons in cyanobacteria will further our understanding of the physiology and ecology of this important group of microorganisms. Previously, CRP has been experimentally studied in only two cyanobacterial strains: Synechocystis sp. PCC 6803 and Anabaena sp. PCC 7120; therefore, a systematic genome-scale study of the potential CRP target genes and binding sites in cyanobacterial genomes is urgently needed. Results We have predicted and analyzed the CRP binding sites and regulons in 12 sequenced cyanobacterial genomes using a highly effective cis-regulatory binding site scanning algorithm. Our results show that cyanobacterial CRP binding sites are very similar to those in E. coli; however, the regulons are very different from that of E. coli. Furthermore, CRP regulons in different cyanobacterial species/ecotypes are also highly diversified, ranging from photosynthesis, carbon fixation and nitrogen assimilation, to chemotaxis and signal transduction. In addition, our prediction indicates that crp genes in modern cyanobacteria are likely inherited from a common ancestral gene in their last common ancestor, and have adapted various cellular functions in different environments, while some cyanobacteria lost their crp genes as well as CRP binding sites during the course of evolution. Conclusion The CRP regulons in cyanobacteria are highly diversified, probably as a result of divergent evolution to adapt to various ecological niches. Cyanobacterial CRPs may function as lineage-specific regulators participating in various cellular processes, and are important in some lineages. However, they are dispensable in some other lineages. The

  10. A novel method for improved accuracy of transcription factor binding site prediction

    KAUST Repository

    Khamis, Abdullah M.; Motwalli, Olaa Amin; Oliva, Romina; Jankovic, Boris R.; Medvedeva, Yulia; Ashoor, Haitham; Essack, Magbubah; Gao, Xin; Bajic, Vladimir B.

    2018-01-01

    Identifying transcription factor (TF) binding sites (TFBSs) is important in the computational inference of gene regulation. Widely used computational methods of TFBS prediction based on position weight matrices (PWMs) usually have high false positive rates. Moreover, computational studies of transcription regulation in eukaryotes frequently require numerous PWM models of TFBSs due to a large number of TFs involved. To overcome these problems we developed DRAF, a novel method for TFBS prediction that requires only 14 prediction models for 232 human TFs, while at the same time significantly improves prediction accuracy. DRAF models use more features than PWM models, as they combine information from TFBS sequences and physicochemical properties of TF DNA-binding domains into machine learning models. Evaluation of DRAF on 98 human ChIP-seq datasets shows on average 1.54-, 1.96- and 5.19-fold reduction of false positives at the same sensitivities compared to models from HOCOMOCO, TRANSFAC and DeepBind, respectively. This observation suggests that one can efficiently replace the PWM models for TFBS prediction by a small number of DRAF models that significantly improve prediction accuracy. The DRAF method is implemented in a web tool and in a stand-alone software freely available at http://cbrc.kaust.edu.sa/DRAF.

  11. A novel method for improved accuracy of transcription factor binding site prediction

    KAUST Repository

    Khamis, Abdullah M.

    2018-03-20

    Identifying transcription factor (TF) binding sites (TFBSs) is important in the computational inference of gene regulation. Widely used computational methods of TFBS prediction based on position weight matrices (PWMs) usually have high false positive rates. Moreover, computational studies of transcription regulation in eukaryotes frequently require numerous PWM models of TFBSs due to a large number of TFs involved. To overcome these problems we developed DRAF, a novel method for TFBS prediction that requires only 14 prediction models for 232 human TFs, while at the same time significantly improves prediction accuracy. DRAF models use more features than PWM models, as they combine information from TFBS sequences and physicochemical properties of TF DNA-binding domains into machine learning models. Evaluation of DRAF on 98 human ChIP-seq datasets shows on average 1.54-, 1.96- and 5.19-fold reduction of false positives at the same sensitivities compared to models from HOCOMOCO, TRANSFAC and DeepBind, respectively. This observation suggests that one can efficiently replace the PWM models for TFBS prediction by a small number of DRAF models that significantly improve prediction accuracy. The DRAF method is implemented in a web tool and in a stand-alone software freely available at http://cbrc.kaust.edu.sa/DRAF.

  12. NBA-Palm: prediction of palmitoylation site implemented in Naïve Bayes algorithm

    Directory of Open Access Journals (Sweden)

    Jin Changjiang

    2006-10-01

    Full Text Available Abstract Background Protein palmitoylation, an essential and reversible post-translational modification (PTM, has been implicated in cellular dynamics and plasticity. Although numerous experimental studies have been performed to explore the molecular mechanisms underlying palmitoylation processes, the intrinsic feature of substrate specificity has remained elusive. Thus, computational approaches for palmitoylation prediction are much desirable for further experimental design. Results In this work, we present NBA-Palm, a novel computational method based on Naïve Bayes algorithm for prediction of palmitoylation site. The training data is curated from scientific literature (PubMed and includes 245 palmitoylated sites from 105 distinct proteins after redundancy elimination. The proper window length for a potential palmitoylated peptide is optimized as six. To evaluate the prediction performance of NBA-Palm, 3-fold cross-validation, 8-fold cross-validation and Jack-Knife validation have been carried out. Prediction accuracies reach 85.79% for 3-fold cross-validation, 86.72% for 8-fold cross-validation and 86.74% for Jack-Knife validation. Two more algorithms, RBF network and support vector machine (SVM, also have been employed and compared with NBA-Palm. Conclusion Taken together, our analyses demonstrate that NBA-Palm is a useful computational program that provides insights for further experimentation. The accuracy of NBA-Palm is comparable with our previously described tool CSS-Palm. The NBA-Palm is freely accessible from: http://www.bioinfo.tsinghua.edu.cn/NBA-Palm.

  13. NBA-Palm: prediction of palmitoylation site implemented in Naïve Bayes algorithm.

    Science.gov (United States)

    Xue, Yu; Chen, Hu; Jin, Changjiang; Sun, Zhirong; Yao, Xuebiao

    2006-10-17

    Protein palmitoylation, an essential and reversible post-translational modification (PTM), has been implicated in cellular dynamics and plasticity. Although numerous experimental studies have been performed to explore the molecular mechanisms underlying palmitoylation processes, the intrinsic feature of substrate specificity has remained elusive. Thus, computational approaches for palmitoylation prediction are much desirable for further experimental design. In this work, we present NBA-Palm, a novel computational method based on Naïve Bayes algorithm for prediction of palmitoylation site. The training data is curated from scientific literature (PubMed) and includes 245 palmitoylated sites from 105 distinct proteins after redundancy elimination. The proper window length for a potential palmitoylated peptide is optimized as six. To evaluate the prediction performance of NBA-Palm, 3-fold cross-validation, 8-fold cross-validation and Jack-Knife validation have been carried out. Prediction accuracies reach 85.79% for 3-fold cross-validation, 86.72% for 8-fold cross-validation and 86.74% for Jack-Knife validation. Two more algorithms, RBF network and support vector machine (SVM), also have been employed and compared with NBA-Palm. Taken together, our analyses demonstrate that NBA-Palm is a useful computational program that provides insights for further experimentation. The accuracy of NBA-Palm is comparable with our previously described tool CSS-Palm. The NBA-Palm is freely accessible from: http://www.bioinfo.tsinghua.edu.cn/NBA-Palm.

  14. G-LoSA for Prediction of Protein-Ligand Binding Sites and Structures.

    Science.gov (United States)

    Lee, Hui Sun; Im, Wonpil

    2017-01-01

    Recent advances in high-throughput structure determination and computational protein structure prediction have significantly enriched the universe of protein structure. However, there is still a large gap between the number of available protein structures and that of proteins with annotated function in high accuracy. Computational structure-based protein function prediction has emerged to reduce this knowledge gap. The identification of a ligand binding site and its structure is critical to the determination of a protein's molecular function. We present a computational methodology for predicting small molecule ligand binding site and ligand structure using G-LoSA, our protein local structure alignment and similarity measurement tool. All the computational procedures described here can be easily implemented using G-LoSA Toolkit, a package of standalone software programs and preprocessed PDB structure libraries. G-LoSA and G-LoSA Toolkit are freely available to academic users at http://compbio.lehigh.edu/GLoSA . We also illustrate a case study to show the potential of our template-based approach harnessing G-LoSA for protein function prediction.

  15. High DNA melting temperature predicts transcription start site location in human and mouse.

    LENUS (Irish Health Repository)

    Dineen, David G

    2009-12-01

    The accurate computational prediction of transcription start sites (TSS) in vertebrate genomes is a difficult problem. The physicochemical properties of DNA can be computed in various ways and a many combinations of DNA features have been tested in the past for use as predictors of transcription. We looked in detail at melting temperature, which measures the temperature, at which two strands of DNA separate, considering the cooperative nature of this process. We find that peaks in melting temperature correspond closely to experimentally determined transcription start sites in human and mouse chromosomes. Using melting temperature alone, and with simple thresholding, we can predict TSS with accuracy that is competitive with the most accurate state-of-the-art TSS prediction methods. Accuracy is measured using both experimentally and manually determined TSS. The method works especially well with CpG island containing promoters, but also works when CpG islands are absent. This result is clear evidence of the important role of the physical properties of DNA in the process of transcription. It also points to the importance for TSS prediction methods to include melting temperature as prior information.

  16. Social Networking Site Use Predicts Changes in Young Adults’ Psychological Adjustment

    Science.gov (United States)

    Szwedo, David E.; Mikami, Amori Yee; Allen, Joseph P.

    2012-01-01

    This study examined youths’ friendships and posted pictures on social networking sites as predictors of changes in their adjustment over time. Observational, self-report, and peer report data were obtained from a community sample of 89 young adults interviewed at age 21 and again at age 22. Findings were consistent with a leveling effect for online friendships, predicting decreases in internalizing symptoms for youth with lower initial levels of social acceptance, but increases in symptoms for youth with higher initial levels over the following year. Across the entire sample, deviant behavior in posted photos predicted increases in young adults’ problematic alcohol use over time. The importance of considering the interplay between online and offline social factors for predicting adjustment is discussed. PMID:23109797

  17. Detection and characterization of 3D-signature phosphorylation site motifs and their contribution towards improved phosphorylation site prediction in proteins

    Directory of Open Access Journals (Sweden)

    Selbig Joachim

    2009-04-01

    Full Text Available Abstract Background Phosphorylation of proteins plays a crucial role in the regulation and activation of metabolic and signaling pathways and constitutes an important target for pharmaceutical intervention. Central to the phosphorylation process is the recognition of specific target sites by protein kinases followed by the covalent attachment of phosphate groups to the amino acids serine, threonine, or tyrosine. The experimental identification as well as computational prediction of phosphorylation sites (P-sites has proved to be a challenging problem. Computational methods have focused primarily on extracting predictive features from the local, one-dimensional sequence information surrounding phosphorylation sites. Results We characterized the spatial context of phosphorylation sites and assessed its usability for improved phosphorylation site predictions. We identified 750 non-redundant, experimentally verified sites with three-dimensional (3D structural information available in the protein data bank (PDB and grouped them according to their respective kinase family. We studied the spatial distribution of amino acids around phosphorserines, phosphothreonines, and phosphotyrosines to extract signature 3D-profiles. Characteristic spatial distributions of amino acid residue types around phosphorylation sites were indeed discernable, especially when kinase-family-specific target sites were analyzed. To test the added value of using spatial information for the computational prediction of phosphorylation sites, Support Vector Machines were applied using both sequence as well as structural information. When compared to sequence-only based prediction methods, a small but consistent performance improvement was obtained when the prediction was informed by 3D-context information. Conclusion While local one-dimensional amino acid sequence information was observed to harbor most of the discriminatory power, spatial context information was identified as

  18. JASSA: a comprehensive tool for prediction of SUMOylation sites and SIMs.

    Science.gov (United States)

    Beauclair, Guillaume; Bridier-Nahmias, Antoine; Zagury, Jean-François; Saïb, Ali; Zamborlini, Alessia

    2015-11-01

    Post-translational modification by the Small Ubiquitin-like Modifier (SUMO) proteins, a process termed SUMOylation, is involved in many fundamental cellular processes. SUMO proteins are conjugated to a protein substrate, creating an interface for the recruitment of cofactors harboring SUMO-interacting motifs (SIMs). Mapping both SUMO-conjugation sites and SIMs is required to study the functional consequence of SUMOylation. To define the best candidate sites for experimental validation we designed JASSA, a Joint Analyzer of SUMOylation site and SIMs. JASSA is a predictor that uses a scoring system based on a Position Frequency Matrix derived from the alignment of experimental SUMOylation sites or SIMs. Compared with existing web-tools, JASSA displays on par or better performances. Novel features were implemented towards a better evaluation of the prediction, including identification of database hits matching the query sequence and representation of candidate sites within the secondary structural elements and/or the 3D fold of the protein of interest, retrievable from deposited PDB files. JASSA is freely accessible at http://www.jassa.fr/. Website is implemented in PHP and MySQL, with all major browsers supported. guillaume.beauclair@inserm.fr Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  19. Predicting Flavin and Nicotinamide Adenine Dinucleotide-Binding Sites in Proteins Using the Fragment Transformation Method

    Directory of Open Access Journals (Sweden)

    Chih-Hao Lu

    2015-01-01

    Full Text Available We developed a computational method to identify NAD- and FAD-binding sites in proteins. First, we extracted from the Protein Data Bank structures of proteins that bind to at least one of these ligands. NAD-/FAD-binding residue templates were then constructed by identifying binding residues through the ligand-binding database BioLiP. The fragment transformation method was used to identify structures within query proteins that resembled the ligand-binding templates. By comparing residue types and their relative spatial positions, potential binding sites were identified and a ligand-binding potential for each residue was calculated. Setting the false positive rate at 5%, our method predicted NAD- and FAD-binding sites at true positive rates of 67.1% and 68.4%, respectively. Our method provides excellent results for identifying FAD- and NAD-binding sites in proteins, and the most important is that the requirement of conservation of residue types and local structures in the FAD- and NAD-binding sites can be verified.

  20. Prediction of glutathionylation sites in proteins using minimal sequence information and their experimental validation.

    Science.gov (United States)

    Pal, Debojyoti; Sharma, Deepak; Kumar, Mukesh; Sandur, Santosh K

    2016-09-01

    S-glutathionylation of proteins plays an important role in various biological processes and is known to be protective modification during oxidative stress. Since, experimental detection of S-glutathionylation is labor intensive and time consuming, bioinformatics based approach is a viable alternative. Available methods require relatively longer sequence information, which may prevent prediction if sequence information is incomplete. Here, we present a model to predict glutathionylation sites from pentapeptide sequences. It is based upon differential association of amino acids with glutathionylated and non-glutathionylated cysteines from a database of experimentally verified sequences. This data was used to calculate position dependent F-scores, which measure how a particular amino acid at a particular position may affect the likelihood of glutathionylation event. Glutathionylation-score (G-score), indicating propensity of a sequence to undergo glutathionylation, was calculated using position-dependent F-scores for each amino-acid. Cut-off values were used for prediction. Our model returned an accuracy of 58% with Matthew's correlation-coefficient (MCC) value of 0.165. On an independent dataset, our model outperformed the currently available model, in spite of needing much less sequence information. Pentapeptide motifs having high abundance among glutathionylated proteins were identified. A list of potential glutathionylation hotspot sequences were obtained by assigning G-scores and subsequent Protein-BLAST analysis revealed a total of 254 putative glutathionable proteins, a number of which were already known to be glutathionylated. Our model predicted glutathionylation sites in 93.93% of experimentally verified glutathionylated proteins. Outcome of this study may assist in discovering novel glutathionylation sites and finding candidate proteins for glutathionylation.

  1. Rapid and accurate prediction and scoring of water molecules in protein binding sites.

    Directory of Open Access Journals (Sweden)

    Gregory A Ross

    Full Text Available Water plays a critical role in ligand-protein interactions. However, it is still challenging to predict accurately not only where water molecules prefer to bind, but also which of those water molecules might be displaceable. The latter is often seen as a route to optimizing affinity of potential drug candidates. Using a protocol we call WaterDock, we show that the freely available AutoDock Vina tool can be used to predict accurately the binding sites of water molecules. WaterDock was validated using data from X-ray crystallography, neutron diffraction and molecular dynamics simulations and correctly predicted 97% of the water molecules in the test set. In addition, we combined data-mining, heuristic and machine learning techniques to develop probabilistic water molecule classifiers. When applied to WaterDock predictions in the Astex Diverse Set of protein ligand complexes, we could identify whether a water molecule was conserved or displaced to an accuracy of 75%. A second model predicted whether water molecules were displaced by polar groups or by non-polar groups to an accuracy of 80%. These results should prove useful for anyone wishing to undertake rational design of new compounds where the displacement of water molecules is being considered as a route to improved affinity.

  2. A homology-based pipeline for global prediction of post-translational modification sites

    Science.gov (United States)

    Chen, Xiang; Shi, Shao-Ping; Xu, Hao-Dong; Suo, Sheng-Bao; Qiu, Jian-Ding

    2016-05-01

    The pathways of protein post-translational modifications (PTMs) have been shown to play particularly important roles for almost any biological process. Identification of PTM substrates along with information on the exact sites is fundamental for fully understanding or controlling biological processes. Alternative computational strategies would help to annotate PTMs in a high-throughput manner. Traditional algorithms are suited for identifying the common organisms and tissues that have a complete PTM atlas or extensive experimental data. While annotation of rare PTMs in most organisms is a clear challenge. In this work, to this end we have developed a novel homology-based pipeline named PTMProber that allows identification of potential modification sites for most of the proteomes lacking PTMs data. Cross-promotion E-value (CPE) as stringent benchmark has been used in our pipeline to evaluate homology to known modification sites. Independent-validation tests show that PTMProber achieves over 58.8% recall with high precision by CPE benchmark. Comparisons with other machine-learning tools show that PTMProber pipeline performs better on general predictions. In addition, we developed a web-based tool to integrate this pipeline at http://bioinfo.ncu.edu.cn/PTMProber/index.aspx. In addition to pre-constructed prediction models of PTM, the website provides an extensional functionality to allow users to customize models.

  3. Predicting surgical site infection after spine surgery: a validated model using a prospective surgical registry.

    Science.gov (United States)

    Lee, Michael J; Cizik, Amy M; Hamilton, Deven; Chapman, Jens R

    2014-09-01

    The impact of surgical site infection (SSI) is substantial. Although previous study has determined relative risk and odds ratio (OR) values to quantify risk factors, these values may be difficult to translate to the patient during counseling of surgical options. Ideally, a model that predicts absolute risk of SSI, rather than relative risk or OR values, would greatly enhance the discussion of safety of spine surgery. To date, there is no risk stratification model that specifically predicts the risk of medical complication. The purpose of this study was to create and validate a predictive model for the risk of SSI after spine surgery. This study performs a multivariate analysis of SSI after spine surgery using a large prospective surgical registry. Using the results of this analysis, this study will then create and validate a predictive model for SSI after spine surgery. The patient sample is from a high-quality surgical registry from our two institutions with prospectively collected, detailed demographic, comorbidity, and complication data. An SSI that required return to the operating room for surgical debridement. Using a prospectively collected surgical registry of more than 1,532 patients with extensive demographic, comorbidity, surgical, and complication details recorded for 2 years after the surgery, we identified several risk factors for SSI after multivariate analysis. Using the beta coefficients from those regression analyses, we created a model to predict the occurrence of SSI after spine surgery. We split our data into two subsets for internal and cross-validation of our model. We created a predictive model based on our beta coefficients from our multivariate analysis. The final predictive model for SSI had a receiver-operator curve characteristic of 0.72, considered to be a fair measure. The final model has been uploaded for use on SpineSage.com. We present a validated model for predicting SSI after spine surgery. The value in this model is that it gives

  4. LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation

    Directory of Open Access Journals (Sweden)

    Schroeder Michael

    2006-09-01

    Full Text Available Abstract Background Identifying pockets on protein surfaces is of great importance for many structure-based drug design applications and protein-ligand docking algorithms. Over the last ten years, many geometric methods for the prediction of ligand-binding sites have been developed. Results We present LIGSITEcsc, an extension and implementation of the LIGSITE algorithm. LIGSITEcsc is based on the notion of surface-solvent-surface events and the degree of conservation of the involved surface residues. We compare our algorithm to four other approaches, LIGSITE, CAST, PASS, and SURFNET, and evaluate all on a dataset of 48 unbound/bound structures and 210 bound-structures. LIGSITEcsc performs slightly better than the other tools and achieves a success rate of 71% and 75%, respectively. Conclusion The use of the Connolly surface leads to slight improvements, the prediction re-ranking by conservation to significant improvements of the binding site predictions. A web server for LIGSITEcsc and its source code is available at scoppi.biotec.tu-dresden.de/pocket.

  5. Predicting ecological flow regime at ungaged sites: A comparison of methods

    Science.gov (United States)

    Murphy, Jennifer C.; Knight, Rodney R.; Wolfe, William J.; Gain, W. Scott

    2012-01-01

    Nineteen ecologically relevant streamflow characteristics were estimated using published rainfall–runoff and regional regression models for six sites with observed daily streamflow records in Kentucky. The regional regression model produced median estimates closer to the observed median for all but two characteristics. The variability of predictions from both models was generally less than the observed variability. The variability of the predictions from the rainfall–runoff model was greater than that from the regional regression model for all but three characteristics. Eight characteristics predicted by the rainfall–runoff model display positive or negative bias across all six sites; biases are not as pronounced for the regional regression model. Results suggest that a rainfall–runoff model calibrated on a single characteristic is less likely to perform well as a predictor of a range of other characteristics (flow regime) when compared with a regional regression model calibrated individually on multiple characteristics used to represent the flow regime. Poor model performance may misrepresent hydrologic conditions, potentially distorting the perceived risk of ecological degradation. Without prior selection of streamflow characteristics, targeted calibration, and error quantification, the widespread application of general hydrologic models to ecological flow studies is problematic. Published 2012. This article is a U.S. Government work and is in the public domain in the USA.

  6. Sterility of the uterine cavity

    DEFF Research Database (Denmark)

    Møller, Birger R.; Kristiansen, Frank V.; Thorsen, Poul

    1995-01-01

    from the same sites. Nearly a quarter of all the patients harbored one or more microorganisms in the uterus, mostly Gardnerella vaginalis, Enterobacter and Streptococcus agalactiae. We found that in a significant number of cases, the uterine cavity is colonized with potentially pathogenic organisms...

  7. AutoSite: an automated approach for pseudo-ligands prediction—from ligand-binding sites identification to predicting key ligand atoms

    Science.gov (United States)

    Ravindranath, Pradeep Anand; Sanner, Michel F.

    2016-01-01

    Motivation: The identification of ligand-binding sites from a protein structure facilitates computational drug design and optimization, and protein function assignment. We introduce AutoSite: an efficient software tool for identifying ligand-binding sites and predicting pseudo ligand corresponding to each binding site identified. Binding sites are reported as clusters of 3D points called fills in which every point is labelled as hydrophobic or as hydrogen bond donor or acceptor. From these fills AutoSite derives feature points: a set of putative positions of hydrophobic-, and hydrogen-bond forming ligand atoms. Results: We show that AutoSite identifies ligand-binding sites with higher accuracy than other leading methods, and produces fills that better matches the ligand shape and properties, than the fills obtained with a software program with similar capabilities, AutoLigand. In addition, we demonstrate that for the Astex Diverse Set, the feature points identify 79% of hydrophobic ligand atoms, and 81% and 62% of the hydrogen acceptor and donor hydrogen ligand atoms interacting with the receptor, and predict 81.2% of water molecules mediating interactions between ligand and receptor. Finally, we illustrate potential uses of the predicted feature points in the context of lead optimization in drug discovery projects. Availability and Implementation: http://adfr.scripps.edu/AutoDockFR/autosite.html Contact: sanner@scripps.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27354702

  8. RADIOLYTIC HYDROGEN GENERATION INSAVANNAH RIVER SITE (SRS) HIGH LEVEL WASTETANKS COMPARISON OF SRS AND HANFORDMODELING PREDICTIONS

    Energy Technology Data Exchange (ETDEWEB)

    Crawford, C; Ned Bibler, N

    2009-04-15

    In the high level waste tanks at the Savannah River Site (SRS), hydrogen is produced continuously by interaction of the radiation in the tank with water in the waste. Consequently, the vapor spaces of the tanks are purged to prevent the accumulation of H{sub 2} and possible formation of a flammable mixture in a tank. Personnel at SRS have developed an empirical model to predict the rate of H{sub 2} formation in a tank. The basis of this model is the prediction of the G value for H{sub 2} production. This G value is the number of H{sub 2} molecules produced per 100 eV of radiolytic energy absorbed by the waste. Based on experimental studies it was found that the G value for H{sub 2} production from beta radiation and from gamma radiation were essentially equal. The G value for H{sub 2} production from alpha radiation was somewhat higher. Thus, the model has two equations, one for beta/gamma radiation and one for alpha radiation. Experimental studies have also indicated that both G values are decreased by the presence of nitrate and nitrite ions in the waste. These are the main scavengers for the precursors of H{sub 2} in the waste; thus the equations that were developed predict G values for hydrogen production as a function of the concentrations of these two ions in waste. Knowing the beta/gamma and alpha heat loads in the waste allows one to predict the total generation rate for hydrogen in a tank. With this prediction a ventilation rate can be established for each tank to ensure that a flammable mixture is not formed in the vapor space in a tank. Recently personnel at Hanford have developed a slightly different model for predicting hydrogen G values. Their model includes the same precursor for H{sub 2} as the SRS model but also includes an additional precursor not in the SRS model. Including the second precursor for H{sub 2} leads to different empirical equations for predicting the G values for H{sub 2} as a function of the nitrate and nitrite concentrations in

  9. Predictability of bone density at posterior mandibular implant sites using cone-beam computed tomography intensity values.

    Science.gov (United States)

    Alkhader, Mustafa; Hudieb, Malik; Khader, Yousef

    2017-01-01

    The aim of this study was to investigate the predictability of bone density at posterior mandibular implant sites using cone-beam computed tomography (CBCT) intensity values. CBCT cross-sectional images for 436 posterior mandibular implant sites were selected for the study. Using Invivo software (Anatomage, San Jose, California, USA), two observers classified the bone density into three categories: low, intermediate, and high, and CBCT intensity values were generated. Based on the consensus of the two observers, 15.6% of sites were of low bone density, 47.9% were of intermediate density, and 36.5% were of high density. Receiver-operating characteristic analysis showed that CBCT intensity values had a high predictive power for predicting high density sites (area under the curve [AUC] =0.94, P < 0.005) and intermediate density sites (AUC = 0.81, P < 0.005). The best cut-off value for intensity to predict intermediate density sites was 218 (sensitivity = 0.77 and specificity = 0.76) and the best cut-off value for intensity to predict high density sites was 403 (sensitivity = 0.93 and specificity = 0.77). CBCT intensity values are considered useful for predicting bone density at posterior mandibular implant sites.

  10. Archaeology Through Computational Linguistics: Inscription Statistics Predict Excavation Sites of Indus Valley Artifacts.

    Science.gov (United States)

    Recchia, Gabriel L; Louwerse, Max M

    2016-11-01

    Computational techniques comparing co-occurrences of city names in texts allow the relative longitudes and latitudes of cities to be estimated algorithmically. However, these techniques have not been applied to estimate the provenance of artifacts with unknown origins. Here, we estimate the geographic origin of artifacts from the Indus Valley Civilization, applying methods commonly used in cognitive science to the Indus script. We show that these methods can accurately predict the relative locations of archeological sites on the basis of artifacts of known provenance, and we further apply these techniques to determine the most probable excavation sites of four sealings of unknown provenance. These findings suggest that inscription statistics reflect historical interactions among locations in the Indus Valley region, and they illustrate how computational methods can help localize inscribed archeological artifacts of unknown origin. The success of this method offers opportunities for the cognitive sciences in general and for computational anthropology specifically. Copyright © 2015 Cognitive Science Society, Inc.

  11. Prediction of pollution into ore bearing aquifer from ISL-site

    International Nuclear Information System (INIS)

    Dolgopolov, V.; Kayukov, P.; Vyatchennikova, L.; Shishkov, I.

    2002-01-01

    Outcomes of present mineralogical investigations explain some phenomena observed in previous sorption experiences. First of all they elucidate cutback of filtration coefficients of sediments exposed under pollution process as granulometric fractions of these permeable sediments decreased in its weight ratio in according to impermeable ones. Then sorption graphics are explained by chemical and mineralogical changes in experienced substance. Explores made diagnoses and estimation about 45 authigenous and technogenous minerals playing the essential role in the process of mass transfer of uranium and polluted components in ISL-sites. They are considered in all basic fractions of studied sediments. Bright peculiarities are noticed for gravel and coarse sands, which went to pieces as a result of dilution or decomposition of its cement. Mineral composition of clayey fraction also significantly changed after pollution process. Steep lost of weight of fraction 0.005-0.001mm consisted with partial decomposition of clayey minerals basically of montmorillonite. These investigations show also that ones of the main minerals playing such the essential role are sorptive such as silica, silica gel, common opal, opal-CT, noble opal, allophane, montmorillonite and zeolite minerals. In conclusion the given work shows some filtration properties of aquifer in an ISL-site and predicts the spread of a possible pollution for ISL-site to environment. The extension of pollution could be more one-two dimension of affected by ISL-process. The prediction would be exact if the previous investigation included the desorptive characteristics and sorptive data depending on temperature and pressure. Current investigations continued pervious ones after which some inexplicable matters of migration of contaminated halo from an ISL-polygon are as follows: Identification and specification of all minerals outside ISL-polygon; Calculation of mineral balance for contaminated sites; Specification of flow

  12. Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands

    DEFF Research Database (Denmark)

    Vasanthanathan, P.; Hritz, Jozef; Taboureau, Olivier

    2009-01-01

    questions have been addressed: 1. Binding orientations and conformations were successfully predicted for various substrates. 2. A virtual screen was performed with satisfying enrichment rates. 3. A classification of individual compounds into active and inactive was performed. It was found that while docking...... can be used successfully to address the first two questions, it seems to be more difficult to perform the classification. Different scoring functions were included, and the well-characterized water molecule in the active site was included in various ways. Results are compared to experimental data...

  13. Segmented trapped vortex cavity

    Science.gov (United States)

    Grammel, Jr., Leonard Paul (Inventor); Pennekamp, David Lance (Inventor); Winslow, Jr., Ralph Henry (Inventor)

    2010-01-01

    An annular trapped vortex cavity assembly segment comprising includes a cavity forward wall, a cavity aft wall, and a cavity radially outer wall there between defining a cavity segment therein. A cavity opening extends between the forward and aft walls at a radially inner end of the assembly segment. Radially spaced apart pluralities of air injection first and second holes extend through the forward and aft walls respectively. The segment may include first and second expansion joint features at distal first and second ends respectively of the segment. The segment may include a forward subcomponent including the cavity forward wall attached to an aft subcomponent including the cavity aft wall. The forward and aft subcomponents include forward and aft portions of the cavity radially outer wall respectively. A ring of the segments may be circumferentially disposed about an axis to form an annular segmented vortex cavity assembly.

  14. SU-F-T-43: Prediction of Dose Increments by Brain Metastases Resection Cavity Shrinkage Model with I-125 and Cs-131 LDR Seed Implantations

    Energy Technology Data Exchange (ETDEWEB)

    Han, D; Braunstein, S; Sneed, P; McDermott, M; Ma, L [University of California San Francisco, San Francisco, CA (United States)

    2016-06-15

    Purpose: This work aims to determine dose variability via a brain metastases resection cavity shrinkage model (RC-SM) with I-125 or Cs-131 LDR seed implantations. Methods: The RC-SM was developed to represent sequential volume changes of 95 consecutive brain metastases patients. All patients underwent serial surveillance MR and change in cavity volume was recorded for each patient. For the initial resection cavity, a prolate-ellipsoid cavity model was suggested and applied volume shrinkage rates to correspond to 1.7, 3.6, 5.9, 11.7, and 20.5 months after craniotomy. Extra-ring structure (6mm) was added on a surface of the resection volume and the same shrinkage rates were applied. Total 31 LDR seeds were evenly distributed on the surface of the resection cavity. The Amersham 6711 I-125 seed model (Oncura, Arlington Heights, IL) and the Model Cs-1 Rev2 Cs-131 seed model (IsoRay, Richland, WA) were used for TG-43U1 dose calculation and in-house-programed 3D-volumetric dose calculation system was used for resection cavity rigid model (RC-RM) and the RC-SM dose calculation. Results: The initial resection cavity volume shrunk to 25±6%, 35±6.8%, 42±7.7%, 47±9.5%, and 60±11.6%, with respect to sequential MR images post craniotomy, and the shrinkage rate (SR) was calculated as SR=56.41Xexp(−0.2024Xt)+33.99 and R-square value was 0.98. The normal brain dose as assessed via the dose to the ring structure with the RC-SM showed 29.34% and 27.95% higher than the RC-RM, I-125 and Cs-131, respectively. The dose differences between I-125 and Cs-131 seeds within the same models, I-125 cases were 9.17% and 10.35% higher than Cs-131 cases, the RC-RM and the RC-SM, respectively. Conclusion: A realistic RC-SM should be considered during LDR brain seed implementation and post-implement planning to prevent potential overdose. The RC-SM calculation shows that Cs-131 is more advantageous in sparing normal brain as the resection cavity volume changes with the LDR seeds implementation.

  15. Predicting Nitrate Transport under Future Climate Scenarios beneath the Nebraska Management Systems Evaluation Area (MSEA) site

    Science.gov (United States)

    Li, Y.; Akbariyeh, S.; Gomez Peña, C. A.; Bartlet-Hunt, S.

    2017-12-01

    Understanding the impacts of future climate change on soil hydrological processes and solute transport is crucial to develop appropriate strategies to minimize adverse impacts of agricultural activities on groundwater quality. The goal of this work is to evaluate the direct effects of climate change on the fate and transport of nitrate beneath a center-pivot irrigated corn field in Nebraska Management Systems Evaluation Area (MSEA) site. Future groundwater recharge rate and actual evapotranspiration rate were predicted based on an inverse modeling approach using climate data generated by Weather Research and Forecasting (WRF) model under the RCP 8.5 scenario, which was downscaled from global CCSM4 model to a resolution of 24 by 24 km2. A groundwater flow model was first calibrated based on historical groundwater table measurement and was then applied to predict future groundwater table in the period 2057-2060. Finally, predicted future groundwater recharge rate, actual evapotranspiration rate, and groundwater level, together with future precipitation data from WRF, were used in a three-dimensional (3D) model, which was validated based on rich historic data set collected from 1993-1996, to predict nitrate concentration in soil and groundwater from the year 2057 to 2060. Future groundwater recharge was found to be decreasing in the study area compared to average groundwater recharge data from the literature. Correspondingly, groundwater elevation was predicted to decrease (1 to 2 ft) over the five years of simulation. Predicted higher transpiration data from climate model resulted in lower infiltration of nitrate concentration in subsurface within the root zone.

  16. Utilizing knowledge base of amino acids structural neighborhoods to predict protein-protein interaction sites.

    Science.gov (United States)

    Jelínek, Jan; Škoda, Petr; Hoksza, David

    2017-12-06

    Protein-protein interactions (PPI) play a key role in an investigation of various biochemical processes, and their identification is thus of great importance. Although computational prediction of which amino acids take part in a PPI has been an active field of research for some time, the quality of in-silico methods is still far from perfect. We have developed a novel prediction method called INSPiRE which benefits from a knowledge base built from data available in Protein Data Bank. All proteins involved in PPIs were converted into labeled graphs with nodes corresponding to amino acids and edges to pairs of neighboring amino acids. A structural neighborhood of each node was then encoded into a bit string and stored in the knowledge base. When predicting PPIs, INSPiRE labels amino acids of unknown proteins as interface or non-interface based on how often their structural neighborhood appears as interface or non-interface in the knowledge base. We evaluated INSPiRE's behavior with respect to different types and sizes of the structural neighborhood. Furthermore, we examined the suitability of several different features for labeling the nodes. Our evaluations showed that INSPiRE clearly outperforms existing methods with respect to Matthews correlation coefficient. In this paper we introduce a new knowledge-based method for identification of protein-protein interaction sites called INSPiRE. Its knowledge base utilizes structural patterns of known interaction sites in the Protein Data Bank which are then used for PPI prediction. Extensive experiments on several well-established datasets show that INSPiRE significantly surpasses existing PPI approaches.

  17. Evaluation of the DayCent model to predict carbon fluxes in French crop sites

    Science.gov (United States)

    Fujisaki, Kenji; Martin, Manuel P.; Zhang, Yao; Bernoux, Martial; Chapuis-Lardy, Lydie

    2017-04-01

    Croplands in temperate regions are an important component of the carbon balance and can act as a sink or a source of carbon, depending on pedoclimatic conditions and management practices. Therefore the evaluation of carbon fluxes in croplands by modelling approach is relevant in the context of global change. This study was part of the Comete-Global project funded by the multi-Partner call FACCE JPI. Carbon fluxes, net ecosystem exchange (NEE), leaf area index (LAI), biomass, and grain production were simulated at the site level in three French crop experiments from the CarboEurope project. Several crops were studied, like winter wheat, rapeseed, barley, maize, and sunflower. Daily NEE was measured with eddy covariance and could be partitioned between gross primary production (GPP) and total ecosystem respiration (TER). Measurements were compared to DayCent simulations, a process-based model predicting plant production and soil organic matter turnover at daily time step. We compared two versions of the model: the original one with a simplified plant module and a newer version that simulates LAI. Input data for modelling were soil properties, climate, and management practices. Simulations of grain yields and biomass production were acceptable when using optimized crop parameters. Simulation of NEE was also acceptable. GPP predictions were improved with the newer version of the model, eliminating temporal shifts that could be observed with the original model. TER was underestimated by the model. Predicted NEE was more sensitive to soil tillage and nitrogen applications than measured NEE. DayCent was therefore a relevant tool to predict carbon fluxes in French crops at the site level. The introduction of LAI in the model improved its performance.

  18. Predicting Protein-Protein Interaction Sites with a Novel Membership Based Fuzzy SVM Classifier.

    Science.gov (United States)

    Sriwastava, Brijesh K; Basu, Subhadip; Maulik, Ujjwal

    2015-01-01

    Predicting residues that participate in protein-protein interactions (PPI) helps to identify, which amino acids are located at the interface. In this paper, we show that the performance of the classical support vector machine (SVM) algorithm can further be improved with the use of a custom-designed fuzzy membership function, for the partner-specific PPI interface prediction problem. We evaluated the performances of both classical SVM and fuzzy SVM (F-SVM) on the PPI databases of three different model proteomes of Homo sapiens, Escherichia coli and Saccharomyces Cerevisiae and calculated the statistical significance of the developed F-SVM over classical SVM algorithm. We also compared our performance with the available state-of-the-art fuzzy methods in this domain and observed significant performance improvements. To predict interaction sites in protein complexes, local composition of amino acids together with their physico-chemical characteristics are used, where the F-SVM based prediction method exploits the membership function for each pair of sequence fragments. The average F-SVM performance (area under ROC curve) on the test samples in 10-fold cross validation experiment are measured as 77.07, 78.39, and 74.91 percent for the aforementioned organisms respectively. Performances on independent test sets are obtained as 72.09, 73.24 and 82.74 percent respectively. The software is available for free download from http://code.google.com/p/cmater-bioinfo.

  19. IRESPred: Web Server for Prediction of Cellular and Viral Internal Ribosome Entry Site (IRES)

    Science.gov (United States)

    Kolekar, Pandurang; Pataskar, Abhijeet; Kulkarni-Kale, Urmila; Pal, Jayanta; Kulkarni, Abhijeet

    2016-01-01

    Cellular mRNAs are predominantly translated in a cap-dependent manner. However, some viral and a subset of cellular mRNAs initiate their translation in a cap-independent manner. This requires presence of a structured RNA element, known as, Internal Ribosome Entry Site (IRES) in their 5′ untranslated regions (UTRs). Experimental demonstration of IRES in UTR remains a challenging task. Computational prediction of IRES merely based on sequence and structure conservation is also difficult, particularly for cellular IRES. A web server, IRESPred is developed for prediction of both viral and cellular IRES using Support Vector Machine (SVM). The predictive model was built using 35 features that are based on sequence and structural properties of UTRs and the probabilities of interactions between UTR and small subunit ribosomal proteins (SSRPs). The model was found to have 75.51% accuracy, 75.75% sensitivity, 75.25% specificity, 75.75% precision and Matthews Correlation Coefficient (MCC) of 0.51 in blind testing. IRESPred was found to perform better than the only available viral IRES prediction server, VIPS. The IRESPred server is freely available at http://bioinfo.net.in/IRESPred/. PMID:27264539

  20. Prediction of functional sites in proteins using conserved functional group analysis.

    Science.gov (United States)

    Innis, C Axel; Anand, A Prem; Sowdhamini, R

    2004-04-02

    A detailed knowledge of a protein's functional site is an absolute prerequisite for understanding its mode of action at the molecular level. However, the rapid pace at which sequence and structural information is being accumulated for proteins greatly exceeds our ability to determine their biochemical roles experimentally. As a result, computational methods are required which allow for the efficient processing of the evolutionary information contained in this wealth of data, in particular that related to the nature and location of functionally important sites and residues. The method presented here, referred to as conserved functional group (CFG) analysis, relies on a simplified representation of the chemical groups found in amino acid side-chains to identify functional sites from a single protein structure and a number of its sequence homologues. We show that CFG analysis can fully or partially predict the location of functional sites in approximately 96% of the 470 cases tested and that, unlike other methods available, it is able to tolerate wide variations in sequence identity. In addition, we discuss its potential in a structural genomics context, where automation, scalability and efficiency are critical, and an increasing number of protein structures are determined with no prior knowledge of function. This is exemplified by our analysis of the hypothetical protein Ydde_Ecoli, whose structure was recently solved by members of the North East Structural Genomics consortium. Although the proposed active site for this protein needs to be validated experimentally, this example illustrates the scope of CFG analysis as a general tool for the identification of residues likely to play an important role in a protein's biochemical function. Thus, our method offers a convenient solution to rapidly and automatically process the vast amounts of data that are beginning to emerge from structural genomics projects.

  1. Feature selection for splice site prediction: A new method using EDA-based feature ranking

    Directory of Open Access Journals (Sweden)

    Rouzé Pierre

    2004-05-01

    Full Text Available Abstract Background The identification of relevant biological features in large and complex datasets is an important step towards gaining insight in the processes underlying the data. Other advantages of feature selection include the ability of the classification system to attain good or even better solutions using a restricted subset of features, and a faster classification. Thus, robust methods for fast feature selection are of key importance in extracting knowledge from complex biological data. Results In this paper we present a novel method for feature subset selection applied to splice site prediction, based on estimation of distribution algorithms, a more general framework of genetic algorithms. From the estimated distribution of the algorithm, a feature ranking is derived. Afterwards this ranking is used to iteratively discard features. We apply this technique to the problem of splice site prediction, and show how it can be used to gain insight into the underlying biological process of splicing. Conclusion We show that this technique proves to be more robust than the traditional use of estimation of distribution algorithms for feature selection: instead of returning a single best subset of features (as they normally do this method provides a dynamical view of the feature selection process, like the traditional sequential wrapper methods. However, the method is faster than the traditional techniques, and scales better to datasets described by a large number of features.

  2. Explorability and predictability of the paleozoic sedimentary sequence beneath the Bruce nuclear site

    International Nuclear Information System (INIS)

    Parmenter, A.; Jensen, M.; Crowe, R.; Raven, K.

    2011-01-01

    Ontario Power Generation (OPG) is proposing to develop a Deep Geologic Repository (DGR) for the long-term management of its Low and Intermediate Level Waste (L&ILW) at the Bruce nuclear site located in the Municipality of Kincardine, Ontario. A 4-year program of geoscientific studies to assess the suitability of the 850 m thick Palaeozoic age sedimentary sequence beneath the site to host the DGR was completed in 2010. The studies provide evidence of a geologic setting in which the DGR concept would be safely implemented at a nominal depth of 680 m within the argillaceous limestone of the Cobourg Formation. This paper describes the geologic framework of the Bruce nuclear site with a focus on illustrating the high degree of stratigraphic continuity and traceability at site-specific and regional scales within the Ordovician sediments proposed to host and enclose the DGR. As part of the site-specific studies, a program of deep drilling/coring (6 boreholes) and in-situ testing through the sedimentary sequence was completed from 4 drill sites situated beyond the DGR footprint, approximately 1 km apart. Core logging reveals that the stratigraphic sequence comprises 34 distinct bedrock formations/members/units consistent with the known regional stratigraphic framework. These layered sedimentary formations dip 0.6 o (~10 m/km) to the southwest with highly uniform thicknesses both at the site- and regional-scale, particularly, the Ordovician sediments, which vary on the order of metres. The occurrence of steeply-dipping faults within the sedimentary sequence is not revealed through surface outcrop fracture mapping, micro-seismic (M ≥ 1) monitoring, inclined borehole coring or intersection of hydrothermal type dolomitized reservoir systems. Potential fault structures, interpreted from a 2-D seismic survey, were targeted by angled boreholes which found no evidence for their existence. Formation specific continuity is also evidence by the lateral traceability of physical rock

  3. A neural network based methodology to predict site-specific spectral acceleration values

    Science.gov (United States)

    Kamatchi, P.; Rajasankar, J.; Ramana, G. V.; Nagpal, A. K.

    2010-12-01

    A general neural network based methodology that has the potential to replace the computationally-intensive site-specific seismic analysis of structures is proposed in this paper. The basic framework of the methodology consists of a feed forward back propagation neural network algorithm with one hidden layer to represent the seismic potential of a region and soil amplification effects. The methodology is implemented and verified with parameters corresponding to Delhi city in India. For this purpose, strong ground motions are generated at bedrock level for a chosen site in Delhi due to earthquakes considered to originate from the central seismic gap of the Himalayan belt using necessary geological as well as geotechnical data. Surface level ground motions and corresponding site-specific response spectra are obtained by using a one-dimensional equivalent linear wave propagation model. Spectral acceleration values are considered as a target parameter to verify the performance of the methodology. Numerical studies carried out to validate the proposed methodology show that the errors in predicted spectral acceleration values are within acceptable limits for design purposes. The methodology is general in the sense that it can be applied to other seismically vulnerable regions and also can be updated by including more parameters depending on the state-of-the-art in the subject.

  4. Work characteristics predict the development of multi-site musculoskeletal pain.

    Science.gov (United States)

    Oakman, Jodi; de Wind, Astrid; van den Heuvel, Swenne G; van der Beek, Allard J

    2017-10-01

    Musculoskeletal pain in more than one body region is common and a barrier to sustaining employment. We aimed to examine whether work characteristics predict the development of multi-site pain (MSP), and to determine differences in work-related predictors between age groups. This study is based on 5136 employees from the Study on Transitions in Employment, Ability and Motivation (STREAM) who reported no MSP at baseline. Measures included physical, emotional, mental, and psychological job demands, social support and autonomy. Predictors of MSP were studied by logistic regression analyses. Univariate and multivariate analyses with age stratification (45-49, 50-54, 55-59, and 60-64 years) were done to explore differences between age groups. All work characteristics with the exception of autonomy were predictive of the development of MSP, with odds ratios varying from 1.21 (95% CI 1.04-1.40) for mental job demands to 1.63 (95% CI 1.43-1.86) for physical job demands. No clear pattern of age-related differences in the predictors of MSP emerged, with the exception of social support, which was predictive of MSP developing in all age groups except for the age group 60-64 years. Adverse physical and psychosocial work characteristics are associated with MSP. Organisations need to comprehensively assess work environments to ensure that all relevant workplace hazards, physical and psychosocial, are identified and then controlled for across all age groups.

  5. Streamflow prediction using multi-site rainfall obtained from hydroclimatic teleconnection

    Science.gov (United States)

    Kashid, S. S.; Ghosh, Subimal; Maity, Rajib

    2010-12-01

    SummarySimultaneous variations in weather and climate over widely separated regions are commonly known as "hydroclimatic teleconnections". Rainfall and runoff patterns, over continents, are found to be significantly teleconnected, with large-scale circulation patterns, through such hydroclimatic teleconnections. Though such teleconnections exist in nature, it is very difficult to model them, due to their inherent complexity. Statistical techniques and Artificial Intelligence (AI) tools gain popularity in modeling hydroclimatic teleconnection, based on their ability, in capturing the complicated relationship between the predictors (e.g. sea surface temperatures) and predictand (e.g., rainfall). Genetic Programming is such an AI tool, which is capable of capturing nonlinear relationship, between predictor and predictand, due to its flexible functional structure. In the present study, gridded multi-site weekly rainfall is predicted from El Niño Southern Oscillation (ENSO) indices, Equatorial Indian Ocean Oscillation (EQUINOO) indices, Outgoing Longwave Radiation (OLR) and lag rainfall at grid points, over the catchment, using Genetic Programming. The predicted rainfall is further used in a Genetic Programming model to predict streamflows. The model is applied for weekly forecasting of streamflow in Mahanadi River, India, and satisfactory performance is observed.

  6. Prediction of multiphase equilibria in associating fluids by a contact-site quasichemical equation of state

    International Nuclear Information System (INIS)

    Prikhodko, I.V.; Victorov, A.I.; Loos, Th.W.de

    1995-01-01

    A contract-site quasichemical equation of state has been used for the modeling of different kinds of fluid phase equilibria (between a gas phase and one or more liquids) over a wide range of conditions. Among the systems of interest are the ternary mixtures water + alkanols + hydrocarbons (alkanes or alkynes), water + alkanols (or acetone) + CO 2 , water + polyoxyethyleneglycol ethers + heavy alkanes. The model has been applied to describing the thermodynamic properties of the binary subsystems and to predict the phase behavior of the ternary systems. For longer-chain alkanols and hydrocarbons a group-contribution approach is implemented, which allows the modeling when no experimental data are available. The model gives reasonable predictions of phase behavior and the correct trends in the calculated phase diagrams in most cases. The concentrations of associates in liquid and gas phases are estimated by the model and compared with some experimental and computer simulation data. The predictive abilities of the model, its limitations, and possible ways of its improvement are discussed

  7. Prediction of Active Site and Distal Residues in E. coli DNA Polymerase III alpha Polymerase Activity.

    Science.gov (United States)

    Parasuram, Ramya; Coulther, Timothy A; Hollander, Judith M; Keston-Smith, Elise; Ondrechen, Mary Jo; Beuning, Penny J

    2018-02-20

    The process of DNA replication is carried out with high efficiency and accuracy by DNA polymerases. The replicative polymerase in E. coli is DNA Pol III, which is a complex of 10 different subunits that coordinates simultaneous replication on the leading and lagging strands. The 1160-residue Pol III alpha subunit is responsible for the polymerase activity and copies DNA accurately, making one error per 10 5 nucleotide incorporations. The goal of this research is to determine the residues that contribute to the activity of the polymerase subunit. Homology modeling and the computational methods of THEMATICS and POOL were used to predict functionally important amino acid residues through their computed chemical properties. Site-directed mutagenesis and biochemical assays were used to validate these predictions. Primer extension, steady-state single-nucleotide incorporation kinetics, and thermal denaturation assays were performed to understand the contribution of these residues to the function of the polymerase. This work shows that the top 15 residues predicted by POOL, a set that includes the three previously known catalytic aspartate residues, seven remote residues, plus five previously unexplored first-layer residues, are important for function. Six previously unidentified residues, R362, D405, K553, Y686, E688, and H760, are each essential to Pol III activity; three additional residues, Y340, R390, and K758, play important roles in activity.

  8. Conserved Functional Motifs and Homology Modeling to Predict Hidden Moonlighting Functional Sites

    KAUST Repository

    Wong, Aloysius Tze; Gehring, Christoph A; Irving, Helen R.

    2015-01-01

    Moonlighting functional centers within proteins can provide them with hitherto unrecognized functions. Here, we review how hidden moonlighting functional centers, which we define as binding sites that have catalytic activity or regulate protein function in a novel manner, can be identified using targeted bioinformatic searches. Functional motifs used in such searches include amino acid residues that are conserved across species and many of which have been assigned functional roles based on experimental evidence. Molecules that were identified in this manner seeking cyclic mononucleotide cyclases in plants are used as examples. The strength of this computational approach is enhanced when good homology models can be developed to test the functionality of the predicted centers in silico, which, in turn, increases confidence in the ability of the identified candidates to perform the predicted functions. Computational characterization of moonlighting functional centers is not diagnostic for catalysis but serves as a rapid screening method, and highlights testable targets from a potentially large pool of candidates for subsequent in vitro and in vivo experiments required to confirm the functionality of the predicted moonlighting centers.

  9. Conserved Functional Motifs and Homology Modeling to Predict Hidden Moonlighting Functional Sites

    KAUST Repository

    Wong, Aloysius Tze

    2015-06-09

    Moonlighting functional centers within proteins can provide them with hitherto unrecognized functions. Here, we review how hidden moonlighting functional centers, which we define as binding sites that have catalytic activity or regulate protein function in a novel manner, can be identified using targeted bioinformatic searches. Functional motifs used in such searches include amino acid residues that are conserved across species and many of which have been assigned functional roles based on experimental evidence. Molecules that were identified in this manner seeking cyclic mononucleotide cyclases in plants are used as examples. The strength of this computational approach is enhanced when good homology models can be developed to test the functionality of the predicted centers in silico, which, in turn, increases confidence in the ability of the identified candidates to perform the predicted functions. Computational characterization of moonlighting functional centers is not diagnostic for catalysis but serves as a rapid screening method, and highlights testable targets from a potentially large pool of candidates for subsequent in vitro and in vivo experiments required to confirm the functionality of the predicted moonlighting centers.

  10. Prediction of P53 mutants (multiple sites transcriptional activity based on structural (2D&3D properties.

    Directory of Open Access Journals (Sweden)

    R Geetha Ramani

    Full Text Available Prediction of secondary site mutations that reinstate mutated p53 to normalcy has been the focus of intense research in the recent past owing to the fact that p53 mutants have been implicated in more than half of all human cancers and restoration of p53 causes tumor regression. However laboratory investigations are more often laborious and resource intensive but computational techniques could well surmount these drawbacks. In view of this, we formulated a novel approach utilizing computational techniques to predict the transcriptional activity of multiple site (one-site to five-site p53 mutants. The optimal MCC obtained by the proposed approach on prediction of one-site, two-site, three-site, four-site and five-site mutants were 0.775,0.341,0.784,0.916 and 0.655 respectively, the highest reported thus far in literature. We have also demonstrated that 2D and 3D features generate higher prediction accuracy of p53 activity and our findings revealed the optimal results for prediction of p53 status, reported till date. We believe detection of the secondary site mutations that suppress tumor growth may facilitate better understanding of the relationship between p53 structure and function and further knowledge on the molecular mechanisms and biological activity of p53, a targeted source for cancer therapy. We expect that our prediction methods and reported results may provide useful insights on p53 functional mechanisms and generate more avenues for utilizing computational techniques in biological data analysis.

  11. Effects of prescribed burns on wintering cavity-nesting birds

    Science.gov (United States)

    Heather L. Bateman; Margaret A. O' Connell

    2006-01-01

    Primary cavity-nesting birds play a critical role in forest ecosystems by excavating cavities later used by other birds and mammals as nesting or roosting sites. Several species of cavity-nesting birds are non-migratory residents and consequently subject to winter conditions. We conducted winter bird counts from 1998 to 2000 to examine the abundance and habitat...

  12. Statistics of magnetoconductance in ballistic cavities

    International Nuclear Information System (INIS)

    Yang, X.; Ishio, H.; Burgdoerfer, J.

    1995-01-01

    The statistical properties of magnetoconductance in ballistic microcavities are investigated numerically. The distribution of conductance for chaotic cavities is found to follow the renormalized Porter-Thomas distribution suggested by random-matrix theory for the Gaussian ensemble while the conductance distribution of regular cavities in magnetic fields is nonuniversal and shifted towards the maximum value for a given number of open channels. The renormalized Porter-Thomas distribution implies a universal dependence of fluctuation amplitude on the mean conductance for chaotic cavities in the absence of time-reversal symmetry. The fluctuation amplitude for regular cavities is found to be larger than the saturation value of the fluctuation amplitude of chaotic cavities predicted by random-matrix theory. The change of the mean conductance as a function of the external magnetic field is consistent with semiclassical predictions

  13. Coupling of an overdriven cavity

    International Nuclear Information System (INIS)

    Garbin, H.D.

    1993-01-01

    It is well known that when a nuclear test is conducted in a sufficiently large cavity, the resulting seismic signal is sharply reduced when compared to a normal tamped event. Cavity explosions are of interest in the seismic verification community because of this possibility of reducing the seismic energy generated which can lower signal amplitudes and make detection difficult. Reduced amplitudes would also lower seismic yield estimates which has implications in a Threshold Test Ban Treaty (TTBT). In the past several years, there have been a number of nuclear tests at NTS (Nevada Test Site) inside hemispherical cavities. Two such tests were MILL YARD and MISTY ECHO which had instrumentation at the surface and in the free-field. These two tests differ in one important aspect. MILL YARD was completely decoupled i.e., the cavity wall behaved in an elastic manner. It was estimated that MILL YARD's ground motion was reduced by a factor of at least 70. In contrast, MISTY ECHO was detonated in a hemispherical cavity with the same dimensions as MILL YARD, but with a much larger device yield. This caused an inelastic behavior on the wall and the explosion was not fully decoupled

  14. Predicted effectiveness of in-situ activated carbon amendment for field sediment sites with variable site- and compound-specific characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Yongju, E-mail: ychoi81@snu.ac.kr [Department of Civil and Environmental Engineering, Seoul National University, Seoul 151-744 (Korea, Republic of); Cho, Yeo-Myoung; Luthy, Richard G. [Department of Civil and Environmental Engineering, Stanford University, Stanford, CA 94305-4020 (United States); Werner, David [School of Civil Engineering and Geosciences, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom)

    2016-01-15

    Highlights: • The model accounts for the heterogeneity of AC distribution in field applications. • AC amendment effectiveness is predicted for ten sediment sites. • An HOC mass transfer model and calibrated parameters provide reliable predictions. • AC amendment is predicted to be effective for most sites. • K{sub ow}, K{sub d}, and equilibrium-based calculations are useful indicators. - Abstract: A growing body of evidence shows that the effectiveness of in-situ activated carbon (AC) amendment to treat hydrophobic organic contaminants (HOCs) in sediments can be reliably predicted using a mass transfer modeling approach. This study analyzes available field data for characterizing AC-sediment distribution after mechanical mixing of AC into sediment. Those distributions are used to develop an HOC mass transfer model that accounts for plausible heterogeneities resulting from mixing of AC into sediment. The model is applied to ten field sites in the U.S. and Europe with 2–3 representative HOCs from each site using site- and HOC-specific model parameters collected from the literature. The model predicts that the AC amendment reduces the pore-water HOC concentrations by more than 95% fifteen years after AC deployment for 18 of the 25 total simulated cases when the AC is applied at doses of 1.5 times sediment total organic carbon content with an upper limit of 5 dry wt%. The predicted effectiveness shows negative correlation with the HOC octanol–water partitioning coefficients and the sediment-water distribution coefficients, and positive correlation with the effectiveness calculated based on equilibrium coefficients of sediment and AC, suggesting the possibility for use of the values for screening-level assessments.

  15. Predicted effectiveness of in-situ activated carbon amendment for field sediment sites with variable site- and compound-specific characteristics

    International Nuclear Information System (INIS)

    Choi, Yongju; Cho, Yeo-Myoung; Luthy, Richard G.; Werner, David

    2016-01-01

    Highlights: • The model accounts for the heterogeneity of AC distribution in field applications. • AC amendment effectiveness is predicted for ten sediment sites. • An HOC mass transfer model and calibrated parameters provide reliable predictions. • AC amendment is predicted to be effective for most sites. • K ow , K d , and equilibrium-based calculations are useful indicators. - Abstract: A growing body of evidence shows that the effectiveness of in-situ activated carbon (AC) amendment to treat hydrophobic organic contaminants (HOCs) in sediments can be reliably predicted using a mass transfer modeling approach. This study analyzes available field data for characterizing AC-sediment distribution after mechanical mixing of AC into sediment. Those distributions are used to develop an HOC mass transfer model that accounts for plausible heterogeneities resulting from mixing of AC into sediment. The model is applied to ten field sites in the U.S. and Europe with 2–3 representative HOCs from each site using site- and HOC-specific model parameters collected from the literature. The model predicts that the AC amendment reduces the pore-water HOC concentrations by more than 95% fifteen years after AC deployment for 18 of the 25 total simulated cases when the AC is applied at doses of 1.5 times sediment total organic carbon content with an upper limit of 5 dry wt%. The predicted effectiveness shows negative correlation with the HOC octanol–water partitioning coefficients and the sediment-water distribution coefficients, and positive correlation with the effectiveness calculated based on equilibrium coefficients of sediment and AC, suggesting the possibility for use of the values for screening-level assessments.

  16. Prediction of Poly(A Sites by Poly(A Read Mapping.

    Directory of Open Access Journals (Sweden)

    Thomas Bonfert

    Full Text Available RNA-seq reads containing part of the poly(A tail of transcripts (denoted as poly(A reads provide the most direct evidence for the position of poly(A sites in the genome. However, due to reduced coverage of poly(A tails by reads, poly(A reads are not routinely identified during RNA-seq mapping. Nevertheless, recent studies for several herpesviruses successfully employed mapping of poly(A reads to identify herpesvirus poly(A sites using different strategies and customized programs. To more easily allow such analyses without requiring additional programs, we integrated poly(A read mapping and prediction of poly(A sites into our RNA-seq mapping program ContextMap 2. The implemented approach essentially generalizes previously used poly(A read mapping approaches and combines them with the context-based approach of ContextMap 2 to take into account information provided by other reads aligned to the same location. Poly(A read mapping using ContextMap 2 was evaluated on real-life data from the ENCODE project and compared against a competing approach based on transcriptome assembly (KLEAT. This showed high positive predictive value for our approach, evidenced also by the presence of poly(A signals, and considerably lower runtime than KLEAT. Although sensitivity is low for both methods, we show that this is in part due to a high extent of spurious results in the gold standard set derived from RNA-PET data. Sensitivity improves for poly(A sites of known transcripts or determined with a more specific poly(A sequencing protocol and increases with read coverage on transcript ends. Finally, we illustrate the usefulness of the approach in a high read coverage scenario by a re-analysis of published data for herpes simplex virus 1. Thus, with current trends towards increasing sequencing depth and read length, poly(A read mapping will prove to be increasingly useful and can now be performed automatically during RNA-seq mapping with ContextMap 2.

  17. A Generic Multi-Compartmental CNS Distribution Model Structure for 9 Drugs Allows Prediction of Human Brain Target Site Concentrations

    NARCIS (Netherlands)

    Yamamoto, Yumi; Valitalo, Pyry A.; van den Berg, Dirk-Jan; Hartman, Robin; van den Brink, Willem; Wong, Yin Cheong; Huntjens, Dymphy R.; Proost, Johannes H.; Vermeulen, An; Krauwinkel, Walter; Bakshi, Suruchi; Aranzana-Climent, Vincent; Marchand, Sandrine; Dahyot-Fizelier, Claire; Couet, William; Danhof, Meindert; van Hasselt, Johan G. C.; de lange, Elizabeth C. M.

    Purpose Predicting target site drug concentration in the brain is of key importance for the successful development of drugs acting on the central nervous system. We propose a generic mathematical model to describe the pharmacokinetics in brain compartments, and apply this model to predict human

  18. Prediction of citrullination sites by incorporating k-spaced amino acid pairs into Chou's general pseudo amino acid composition.

    Science.gov (United States)

    Ju, Zhe; Wang, Shi-Yun

    2018-04-22

    As one of the most important and common protein post-translational modifications, citrullination plays a key role in regulating various biological processes and is associated with several human diseases. The accurate identification of citrullination sites is crucial for elucidating the underlying molecular mechanisms of citrullination and designing drugs for related human diseases. In this study, a novel bioinformatics tool named CKSAAP_CitrSite is developed for the prediction of citrullination sites. With the assistance of support vector machine algorithm, the highlight of CKSAAP_CitrSite is to adopt the composition of k-spaced amino acid pairs surrounding a query site as input. As illustrated by 10-fold cross-validation, CKSAAP_CitrSite achieves a satisfactory performance with a Sensitivity of 77.59%, a Specificity of 95.26%, an Accuracy of 89.37% and a Matthew's correlation coefficient of 0.7566, which is much better than those of the existing prediction method. Feature analysis shows that the N-terminal space containing pairs may play an important role in the prediction of citrullination sites, and the arginines close to N-terminus tend to be citrullinated. The conclusions derived from this study could offer useful information for elucidating the molecular mechanisms of citrullination and related experimental validations. A user-friendly web-server for CKSAAP_CitrSite is available at 123.206.31.171/CKSAAP_CitrSite/. Copyright © 2017. Published by Elsevier B.V.

  19. Does radiation dose to the salivary glands and oral cavity predict patient-rated xerostomia and sticky saliva in head and neck cancer patients treated with curative radiotherapy?

    International Nuclear Information System (INIS)

    Jellema, Anke Petra; Doornaert, Patricia; Slotman, Ben J.; Rene Leemans, C.; Langendijk, Johannes A.

    2005-01-01

    Background and Purpose: To investigate the association between the mean salivary gland and oral cavity dose, with patient-rated moderate and severe xerostomia and sticky saliva. Patients and methods: One hundred and fifty-seven patients treated with bilateral irradiation for head and neck cancer were included. The parotid and submandibular glands and the oral cavity were delineated on plannings-CT scans. At baseline and 6 and 12 months self-reported xerostomia and sticky saliva were assessed using the EORTC QLQ-H and N35 questionnaire. Results: At 6 months a significant association between the mean parotid (MD par ) and mean submandibular dose (MD subm ) and xerostomia was observed (OR-MD par : 1.17; P=0.002 and OR-MD subm : 1.08; P=0.02). Between MD par and MD subm , a significant interaction term was present. No significant association was found with the oral cavity dose. Xerostomia was reversible depending on MD par and MD subm . Considering Sticky saliva, a significant association was found at 6 and 12 months with MD subm (OR: 1.03; P par and MD subm influence the risk of xerostomia in irradiated patients at 6 months. This probability as a function of the mean parotid dose significantly depended on the mean dose in the submandibular glands. Sticky saliva mainly depends on MD subm

  20. Cell-type specificity of ChIP-predicted transcription factor binding sites

    Directory of Open Access Journals (Sweden)

    Håndstad Tony

    2012-08-01

    Full Text Available Abstract Background Context-dependent transcription factor (TF binding is one reason for differences in gene expression patterns between different cellular states. Chromatin immunoprecipitation followed by high-throughput sequencing (ChIP-seq identifies genome-wide TF binding sites for one particular context—the cells used in the experiment. But can such ChIP-seq data predict TF binding in other cellular contexts and is it possible to distinguish context-dependent from ubiquitous TF binding? Results We compared ChIP-seq data on TF binding for multiple TFs in two different cell types and found that on average only a third of ChIP-seq peak regions are common to both cell types. Expectedly, common peaks occur more frequently in certain genomic contexts, such as CpG-rich promoters, whereas chromatin differences characterize cell-type specific TF binding. We also find, however, that genotype differences between the cell types can explain differences in binding. Moreover, ChIP-seq signal intensity and peak clustering are the strongest predictors of common peaks. Compared with strong peaks located in regions containing peaks for multiple transcription factors, weak and isolated peaks are less common between the cell types and are less associated with data that indicate regulatory activity. Conclusions Together, the results suggest that experimental noise is prevalent among weak peaks, whereas strong and clustered peaks represent high-confidence binding events that often occur in other cellular contexts. Nevertheless, 30-40% of the strongest and most clustered peaks show context-dependent regulation. We show that by combining signal intensity with additional data—ranging from context independent information such as binding site conservation and position weight matrix scores to context dependent chromatin structure—we can predict whether a ChIP-seq peak is likely to be present in other cellular contexts.

  1. Cavity optomechanics in gallium phosphide microdisks

    International Nuclear Information System (INIS)

    Mitchell, Matthew; Barclay, Paul E.; Hryciw, Aaron C.

    2014-01-01

    We demonstrate gallium phosphide (GaP) microdisk optical cavities with intrinsic quality factors >2.8 × 10 5 and mode volumes 3 , and study their nonlinear and optomechanical properties. For optical intensities up to 8.0 × 10 4 intracavity photons, we observe optical loss in the microcavity to decrease with increasing intensity, indicating that saturable absorption sites are present in the GaP material, and that two-photon absorption is not significant. We observe optomechanical coupling between optical modes of the microdisk around 1.5 μm and several mechanical resonances, and measure an optical spring effect consistent with a theoretically predicted optomechanical coupling rate g 0 /2π∼30 kHz for the fundamental mechanical radial breathing mode at 488 MHz

  2. Development and Validation of Spatially Explicit Habitat Models for Cavity-nesting Birds in Fishlake National Forest, Utah

    Science.gov (United States)

    Randall A., Jr. Schultz; Thomas C., Jr. Edwards; Gretchen G. Moisen; Tracey S. Frescino

    2005-01-01

    The ability of USDA Forest Service Forest Inventory and Analysis (FIA) generated spatial products to increase the predictive accuracy of spatially explicit, macroscale habitat models was examined for nest-site selection by cavity-nesting birds in Fishlake National Forest, Utah. One FIA-derived variable (percent basal area of aspen trees) was significant in the habitat...

  3. Prediction of evacuation time for emergency planning zone of Uljin nuclear site

    International Nuclear Information System (INIS)

    Jeon, In Young; Lee, Jai Ki

    2002-01-01

    The time for evacuation of residents in Emergency Planning Zone (EPZ) of Uljin nuclear site in case of a radiological emergency was estimated with traffic analysis. Evacuees were classified into 4 groups by considering population density, local jurisdictions, and whether they are residents or transients. The survey to investigate the behavioral characteristics of the residents was made for 200 households and included a hypothetical scenario explaining the accident situation and questions such as dwelling place, time demand for evacuation preparation, transportation means for evacuation, sheltering place, and evacuation direction. The microscopic traffic simulation model, CORSIM, was used to simulate the behavior of evacuating vehicles on networks. The results showed that the evacuation time required for total vehicles to move out from EPZ took longer in the daytime than at night in spite that the delay times at intersections were longer at night than in the daytime. This was analyzed due to the differences of the trip generation time distribution. To validate whether the CORSIM model can appropriately simulate the congested traffic phenomena assumable in case of emergency, a benchmark study was conducted at an intersection without an actuated traffic signal near Uljin site during the traffic peak-time in the morning. This study indicated that the predicted output by the CORSIM model was in good agreement with the observed data, satisfying the purpose of this study

  4. Use of the Hazard Prediction and Assessment Capability (HPAC) at the Savannah River Site

    International Nuclear Information System (INIS)

    BUCKLEY, ROBERT

    2004-01-01

    This report provides background information on the implementation of the Hazard Prediction and Assessment Capability (HPAC) software package at the Savannah River Site for atmospheric modeling. Developed by the Defense Threat Reduction Agency (DTRA), HPAC is actually a suite of models that allows for various modes of release of radiological, chemical and biological agents, generates interpolated meteorological data fields based on inputted meteorology, and transports the material using a tested transport and diffusion model. A discussion of meteorological data availability for direct use by HPAC is given, and is important for applications to emergency response. An evaluation of the data input methodology for a release from SRS is examined, as well as an application to the World Trade Center attacks in New York City in September 2001. Benefits of the newer versions of HPAC now in use are then discussed. These include access to more meteorological data sources and improved graphical cap abilities. The HPAC software package is another tool to help the Atmospheric Technologies Group (ATG) provide atmospheric transport and dispersion predictions in the event of hazardous atmospheric releases

  5. Prediction of Water Binding to Protein Hydration Sites with a Discrete, Semiexplicit Solvent Model.

    Science.gov (United States)

    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.

  6. Improved reactor cavity

    International Nuclear Information System (INIS)

    Katz, L.R.; Demarchais, W.E.

    1984-01-01

    A reactor pressure vessel disposed in a cavity has coolant inlet or outlet pipes extending through passages in the cavity walls and welded to pressure nozzles. The cavity wall has means for directing fluid away from a break at a weld away from the pressure vessel, and means for inhibiting flow of fluid toward the vessel. (author)

  7. Predicting Greater Prairie-Chicken Lek Site Suitability to Inform Conservation Actions.

    Directory of Open Access Journals (Sweden)

    Torre J Hovick

    Full Text Available The demands of a growing human population dictates that expansion of energy infrastructure, roads, and other development frequently takes place in native rangelands. Particularly, transmission lines and roads commonly divide rural landscapes and increase fragmentation. This has direct and indirect consequences on native wildlife that can be mitigated through thoughtful planning and proactive approaches to identifying areas of high conservation priority. We used nine years (2003-2011 of Greater Prairie-Chicken (Tympanuchus cupido lek locations totaling 870 unique leks sites in Kansas and seven geographic information system (GIS layers describing land cover, topography, and anthropogenic structures to model habitat suitability across the state. The models obtained had low omission rates (0.81, indicating high model performance and reliability of predicted habitat suitability for Greater Prairie-Chickens. We found that elevation was the most influential in predicting lek locations, contributing three times more predictive power than any other variable. However, models were improved by the addition of land cover and anthropogenic features (transmission lines, roads, and oil and gas structures. Overall, our analysis provides a hierarchal understanding of Greater Prairie-Chicken habitat suitability that is broadly based on geomorphological features followed by land cover suitability. We found that when land features and vegetation cover are suitable for Greater Prairie-Chickens, fragmentation by anthropogenic sources such as roadways and transmission lines are a concern. Therefore, it is our recommendation that future human development in Kansas avoid areas that our models identified as highly suitable for Greater Prairie-Chickens and focus development on land cover types that are of lower conservation concern.

  8. Site-specific strong ground motion prediction using 2.5-D modelling

    Science.gov (United States)

    Narayan, J. P.

    2001-08-01

    An algorithm was developed using the 2.5-D elastodynamic wave equation, based on the displacement-stress relation. One of the most significant advantages of the 2.5-D simulation is that the 3-D radiation pattern can be generated using double-couple point shear-dislocation sources in the 2-D numerical grid. A parsimonious staggered grid scheme was adopted instead of the standard staggered grid scheme, since this is the only scheme suitable for computing the dislocation. This new 2.5-D numerical modelling avoids the extensive computational cost of 3-D modelling. The significance of this exercise is that it makes it possible to simulate the strong ground motion (SGM), taking into account the energy released, 3-D radiation pattern, path effects and local site conditions at any location around the epicentre. The slowness vector (py) was used in the supersonic region for each layer, so that all the components of the inertia coefficient are positive. The double-couple point shear-dislocation source was implemented in the numerical grid using the moment tensor components as the body-force couples. The moment per unit volume was used in both the 3-D and 2.5-D modelling. A good agreement in the 3-D and 2.5-D responses for different grid sizes was obtained when the moment per unit volume was further reduced by a factor equal to the finite-difference grid size in the case of the 2.5-D modelling. The components of the radiation pattern were computed in the xz-plane using 3-D and 2.5-D algorithms for various focal mechanisms, and the results were in good agreement. A comparative study of the amplitude behaviour of the 3-D and 2.5-D wavefronts in a layered medium reveals the spatial and temporal damped nature of the 2.5-D elastodynamic wave equation. 3-D and 2.5-D simulated responses at a site using a different strike direction reveal that strong ground motion (SGM) can be predicted just by rotating the strike of the fault counter-clockwise by the same amount as the azimuth of

  9. The Number of Pathologically Positive Lymph Nodes and Pathological Tumor Depth Predicts Prognosis in Patients With Poorly Differentiated Squamous Cell Carcinoma of the Oral Cavity

    International Nuclear Information System (INIS)

    Kang, Chung-Jan; Lin, Chien-Yu; Wang, Hung-Ming; Fan, Kang-Hsing; Ng, Shu-Hang; Lee, Li-Yu; Chen, I-How; Huang, Shiang-Fu

    2011-01-01

    Purpose: The objective of this retrospective study was twofold: (1) to investigate prognostic factors for clinical outcomes in patients with poorly differentiated oral cavity squamous cell carcinoma and (2) to identify specific prognostic subgroups that may help to guide treatment decisions. Methods and Materials: We examined 102 patients with poorly differentiated oral cavity squamous cell carcinoma. All patients were followed for at least 24 months after surgery or until death. The 5-year rates of local control, neck control, distant metastasis, disease-free, disease-specific, and overall survival served as main outcome measures. Results: The 5-year rates were as follows: local control (79%), neck control (64%), distant metastases (27%), disease-free survival (48%), disease-specific survival (52%), and overall survival (42%). Multivariable analysis showed that the number of pathologically positive nodes (≥4 vs. ≤3) was a significant predictor of neck control, distant metastasis, and disease-free, disease-specific, and overall survival rates. In addition, the presence of tumor depth of ≥11 mm (vs. <11 mm) was a significant predictor of distant metastasis, disease-specific survival, and overall survival rates. The combination of the two predictors (26.5%, 27/102) was independently associated with poorer neck control (p = 0.0319), distant metastasis (p < 0.0001), and disease-free (p < 0.0001), disease-specific (p < 0.0001), and overall survival (p < 0.0001) rates. Conclusions: In patients with poorly differentiated oral cavity squamous cell carcinoma, the presence of at least 4 pathologically positive lymph nodes and of a pathological tumor depth ≥11 mm identifies a subset of subjects with poor clinical outcomes. Patients carrying both risk factors are suitable candidates for the development of novel therapeutic approaches.

  10. Prediction of protein modification sites of pyrrolidone carboxylic acid using mRMR feature selection and analysis.

    Directory of Open Access Journals (Sweden)

    Lu-Lu Zheng

    Full Text Available Pyrrolidone carboxylic acid (PCA is formed during a common post-translational modification (PTM of extracellular and multi-pass membrane proteins. In this study, we developed a new predictor to predict the modification sites of PCA based on maximum relevance minimum redundancy (mRMR and incremental feature selection (IFS. We incorporated 727 features that belonged to 7 kinds of protein properties to predict the modification sites, including sequence conservation, residual disorder, amino acid factor, secondary structure and solvent accessibility, gain/loss of amino acid during evolution, propensity of amino acid to be conserved at protein-protein interface and protein surface, and deviation of side chain carbon atom number. Among these 727 features, 244 features were selected by mRMR and IFS as the optimized features for the prediction, with which the prediction model achieved a maximum of MCC of 0.7812. Feature analysis showed that all feature types contributed to the modification process. Further site-specific feature analysis showed that the features derived from PCA's surrounding sites contributed more to the determination of PCA sites than other sites. The detailed feature analysis in this paper might provide important clues for understanding the mechanism of the PCA formation and guide relevant experimental validations.

  11. Predicted impacts of future water level decline on monitoring wells using a ground-water model of the Hanford Site

    International Nuclear Information System (INIS)

    Wurstner, S.K.; Freshley, M.D.

    1994-12-01

    A ground-water flow model was used to predict water level decline in selected wells in the operating areas (100, 200, 300, and 400 Areas) and the 600 Area. To predict future water levels, the unconfined aquifer system was stimulated with the two-dimensional version of a ground-water model of the Hanford Site, which is based on the Coupled Fluid, Energy, and Solute Transport (CFEST) Code in conjunction with the Geographic Information Systems (GIS) software package. The model was developed using the assumption that artificial recharge to the unconfined aquifer system from Site operations was much greater than any natural recharge from precipitation or from the basalt aquifers below. However, artificial recharge is presently decreasing and projected to decrease even more in the future. Wells currently used for monitoring at the Hanford Site are beginning to go dry or are difficult to sample, and as the water table declines over the next 5 to 10 years, a larger number of wells is expected to be impacted. The water levels predicted by the ground-water model were compared with monitoring well completion intervals to determine which wells will become dry in the future. Predictions of wells that will go dry within the next 5 years have less uncertainty than predictions for wells that will become dry within 5 to 10 years. Each prediction is an estimate based on assumed future Hanford Site operating conditions and model assumptions

  12. Cavity pressure history of contained nuclear explosions

    Energy Technology Data Exchange (ETDEWEB)

    Chapin, C E [Lawrence Radiation Laboratory, University of California, Livermore, CA (United States)

    1970-05-01

    Knowledge of pressure in cavities created by contained nuclear explosions is useful for estimating the possibility of venting radioactive debris to the atmosphere. Measurements of cavity pressure, or temperature, would be helpful in evaluating the correctness of present code predictions of underground explosions. In instrumenting and interpreting such measurements it is necessary to have good theoretical estimates of cavity pressures. In this paper cavity pressure is estimated at the time when cavity growth is complete. Its subsequent decrease due to heat loss from the cavity to the surrounding media is also predicted. The starting pressure (the pressure at the end of cavity growth) is obtained by adiabatic expansion to the final cavity size of the vaporized rock gas sphere created by the explosion. Estimates of cavity size can be obtained by stress propagation computer codes, such as SOC and TENSOR. However, such estimates require considerable time and effort. In this paper, cavity size is estimated using a scheme involving simple hand calculations. The prediction is complicated by uncertainties in the knowledge of silica water system chemistry and a lack of information concerning possible blowoff of wall material during cavity growth. If wall material blows off, it can significantly change the water content in the cavity, compared to the water content in the ambient media. After cavity growth is complete, the pressure will change because of heat loss to the surrounding media. Heat transfer by convection, radiation and conduction is considered, and its effect on the pressure is calculated. Analysis of cavity heat transfer is made difficult by the complex nature of processes which occur at the wall where melting, vaporization and condensation of the gaseous rock can all occur. Furthermore, the melted wall material could be removed by flowing or dripping to the cavity floor. It could also be removed by expansion of the steam contained in the melt (blowoff) and by

  13. Protein-protein interaction site predictions with three-dimensional probability distributions of interacting atoms on protein surfaces.

    Directory of Open Access Journals (Sweden)

    Ching-Tai Chen

    Full Text Available 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

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

    Science.gov (United States)

    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

  15. Success: evolutionary and structural properties of amino acids prove effective for succinylation site prediction.

    Science.gov (United States)

    López, Yosvany; Sharma, Alok; Dehzangi, Abdollah; Lal, Sunil Pranit; Taherzadeh, Ghazaleh; Sattar, Abdul; Tsunoda, Tatsuhiko

    2018-01-19

    Post-translational modification is considered an important biological mechanism with critical impact on the diversification of the proteome. Although a long list of such modifications has been studied, succinylation of lysine residues has recently attracted the interest of the scientific community. The experimental detection of succinylation sites is an expensive process, which consumes a lot of time and resources. Therefore, computational predictors of this covalent modification have emerged as a last resort to tackling lysine succinylation. In this paper, we propose a novel computational predictor called 'Success', which efficiently uses the structural and evolutionary information of amino acids for predicting succinylation sites. To do this, each lysine was described as a vector that combined the above information of surrounding amino acids. We then designed a support vector machine with a radial basis function kernel for discriminating between succinylated and non-succinylated residues. We finally compared the Success predictor with three state-of-the-art predictors in the literature. As a result, our proposed predictor showed a significant improvement over the compared predictors in statistical metrics, such as sensitivity (0.866), accuracy (0.838) and Matthews correlation coefficient (0.677) on a benchmark dataset. The proposed predictor effectively uses the structural and evolutionary information of the amino acids surrounding a lysine. The bigram feature extraction approach, while retaining the same number of features, facilitates a better description of lysines. A support vector machine with a radial basis function kernel was used to discriminate between modified and unmodified lysines. The aforementioned aspects make the Success predictor outperform three state-of-the-art predictors in succinylation detection.

  16. Measured and predicted aerosol light scattering enhancement factors at the high alpine site Jungfraujoch

    Directory of Open Access Journals (Sweden)

    R. Fierz-Schmidhauser

    2010-03-01

    Full Text Available Ambient relative humidity (RH determines the water content of atmospheric aerosol particles and thus has an important influence on the amount of visible light scattered by particles. The RH dependence of the particle light scattering coefficient (σsp is therefore an important variable for climate forcing calculations. We used a humidification system for a nephelometer which allows for the measurement of σsp at a defined RH in the range of 20–95%. In this paper we present measurements of light scattering enhancement factors f(RH=σsp(RH/σsp(dry from a 1-month campaign (May 2008 at the high alpine site Jungfraujoch (3580 m a.s.l., Switzerland. Measurements at the Jungfraujoch are representative for the lower free troposphere above Central Europe. For this aerosol type hardly any information about the f(RH is available so far. At this site, f(RH=85% varied between 1.2 and 3.3. Measured f(RH agreed well with f(RH calculated with Mie theory using measurements of the size distribution, chemical composition and hygroscopic diameter growth factors as input. Good f(RH predictions at RH<85% were also obtained with a simplified model, which uses the Ångström exponent of σsp(dry as input. RH influences further intensive optical aerosol properties. The backscatter fraction decreased by about 30% from 0.128 to 0.089, and the single scattering albedo increased on average by 0.05 at 85% RH compared to dry conditions. These changes in σsp, backscatter fraction and single scattering albedo have a distinct impact on the radiative forcing of the Jungfraujoch aerosol.

  17. ProBiS-ligands: a web server for prediction of ligands by examination of protein binding sites.

    Science.gov (United States)

    Konc, Janez; Janežič, Dušanka

    2014-07-01

    The ProBiS-ligands web server predicts binding of ligands to a protein structure. Starting with a protein structure or binding site, ProBiS-ligands first identifies template proteins in the Protein Data Bank that share similar binding sites. Based on the superimpositions of the query protein and the similar binding sites found, the server then transposes the ligand structures from those sites to the query protein. Such ligand prediction supports many activities, e.g. drug repurposing. The ProBiS-ligands web server, an extension of the ProBiS web server, is open and free to all users at http://probis.cmm.ki.si/ligands. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

  18. Predictability of bone density at posterior mandibular implant sites using cone-beam computed tomography intensity values

    OpenAIRE

    Alkhader, Mustafa; Hudieb, Malik; Khader, Yousef

    2017-01-01

    Objective: The aim of this study was to investigate the predictability of bone density at posterior mandibular implant sites using cone-beam computed tomography (CBCT) intensity values. Materials and Methods: CBCT cross-sectional images for 436 posterior mandibular implant sites were selected for the study. Using Invivo software (Anatomage, San Jose, California, USA), two observers classified the bone density into three categories: low, intermediate, and high, and CBCT intensity values were g...

  19. Topography and geology site effects from the intensity prediction model (ShakeMap) for Austria

    Science.gov (United States)

    del Puy Papí Isaba, María; Jia, Yan; Weginger, Stefan

    2017-04-01

    The seismicity in Austria can be categorized as moderated. Despite the fact that the hazard seems to be rather low, earthquakes can cause great damage and losses, specially in densely populated and industrialized areas. It is well known, that equations which predict intensity as a function of magnitude and distance, among other parameters, are useful tool for hazard and risk assessment. Therefore, this study aims to determine an empirical model of the ground shaking intensities (ShakeMap) of a series of earthquakes occurred in Austria between 1000 and 2014. Furthermore, the obtained empirical model will lead to further interpretation of both, contemporary and historical earthquakes. A total of 285 events, which epicenters were located in Austria, and a sum of 22.739 reported macreoseismic data points from Austria and adjoining countries, were used. These events are enclosed in the period 1000-2014 and characterized by having a local magnitude greater than 3. In the first state of the model development, the data was careful selected, e.g. solely intensities equal or greater than III were used. In a second state the data was adjusted to the selected empirical model. Finally, geology and topography corrections were obtained by means of the model residuals in order to derive intensity-based site amplification effects.

  20. Predicting transcription factor binding sites using local over-representation and comparative genomics

    Directory of Open Access Journals (Sweden)

    Touzet Hélène

    2006-08-01

    Full Text Available Abstract Background Identifying cis-regulatory elements is crucial to understanding gene expression, which highlights the importance of the computational detection of overrepresented transcription factor binding sites (TFBSs in coexpressed or coregulated genes. However, this is a challenging problem, especially when considering higher eukaryotic organisms. Results We have developed a method, named TFM-Explorer, that searches for locally overrepresented TFBSs in a set of coregulated genes, which are modeled by profiles provided by a database of position weight matrices. The novelty of the method is that it takes advantage of spatial conservation in the sequence and supports multiple species. The efficiency of the underlying algorithm and its robustness to noise allow weak regulatory signals to be detected in large heterogeneous data sets. Conclusion TFM-Explorer provides an efficient way to predict TFBS overrepresentation in related sequences. Promising results were obtained in a variety of examples in human, mouse, and rat genomes. The software is publicly available at http://bioinfo.lifl.fr/TFM-Explorer.

  1. Stimulation site within the MRI-defined STN predicts postoperative motor outcome.

    Science.gov (United States)

    Wodarg, Fritz; Herzog, Jan; Reese, René; Falk, Daniela; Pinsker, Markus O; Steigerwald, Frank; Jansen, Olav; Deuschl, Günther; Mehdorn, H Maximillian; Volkmann, Jens

    2012-06-01

    High-frequency stimulation of the subthalamic nucleus (STN-HFS) is highly effective in treating motor symptoms in Parkinson's disease (PD) and medication side effects as well as in improving quality of life. Despite preoperative screening for patients as eligible candidates for this treatment, electrode position may furthermore influence treatment quality. Here, we investigated the relationship between the anatomical site of stimulation within the MRI-defined STN and the outcome of PD patients after STN-HFS. In 30 PD patients with bilateral STN stimulation, we retrospectively defined the boundaries of the STN within the axial target plane of the stereotactic T2-weighted MRI and determined the position of the active electrode contact in relation to the border of the STN. The position of the active contact within the STN was the only variable to predict the outcome of STN stimulation. In contrast, covariates such as age, disease duration, symptom severity, and response to levodopa had no effect. The lateral position of the stimulation contact within the STN led to significantly better clinical improvement, lower stimulation parameters, and less need for postoperative dopaminergic medication. The outcome of patients with stimulation contacts within the medial region of the STN was significantly worse. Precise targeting of the lateral region of the STN is essential for achieving sufficient stimulation efficacy. Preoperative T2-weighted MRI might be a useful component of the targeting procedure to improve the outcome of PD patients. Copyright © 2012 Movement Disorder Society.

  2. COMPARATIVE MODELLING AND LIGAND BINDING SITE PREDICTION OF A FAMILY 43 GLYCOSIDE HYDROLASE FROM Clostridium thermocellum

    Directory of Open Access Journals (Sweden)

    Shadab Ahmed

    2012-06-01

    Full Text Available The phylogenetic analysis of Clostridium thermocellum family 43 glycoside hydrolase (CtGH43 showed close evolutionary relation with carbohydrate binding family 6 proteins from C. cellulolyticum, C. papyrosolvens, C. cellulyticum, and A. cellulyticum. Comparative modeling of CtGH43 was performed based on crystal structures with PDB IDs 3C7F, 1YIF, 1YRZ, 2EXH and 1WL7. The structure having lowest MODELLER objective function was selected. The three-dimensional structure revealed typical 5-fold beta–propeller architecture. Energy minimization and validation of predicted model with VERIFY 3D indicated acceptability of the proposed atomic structure. The Ramachandran plot analysis by RAMPAGE confirmed that family 43 glycoside hydrolase (CtGH43 contains little or negligible segments of helices. It also showed that out of 301 residues, 267 (89.3% were in most favoured region, 23 (7.7% were in allowed region and 9 (3.0% were in outlier region. IUPred analysis of CtGH43 showed no disordered region. Active site analysis showed presence of two Asp and one Glu, assumed to form a catalytic triad. This study gives us information about three-dimensional structure and reaffirms the fact that it has the similar core 5-fold beta–propeller architecture and so probably has the same inverting mechanism of action with the formation of above mentioned catalytic triad for catalysis of polysaccharides.

  3. Micro-Cavity Fluidic Dye Laser

    DEFF Research Database (Denmark)

    Helbo, Bjarne; Kristensen, Anders; Menon, Aric Kumaran

    2003-01-01

    We have successfully designed, fabricated and characterized a micro-cavity fluidic dye laser with metallic mirrors, which can be integrated with polymer based lab-on-a-chip microsystems without further processing steps. A simple rate-equation model is used to predict the average pumping power...... threshold for lasing as function of cavity-mirror reflectance, laser dye concentration and cavity length. The laser device is characterized using the laser dye Rhodamine 6G dissolved in ethanol. Lasing is observed, and the influence of dye concentration is investigated....

  4. The LHC superconducting cavities

    CERN Document Server

    Boussard, Daniel; Häbel, E; Kindermann, H P; Losito, R; Marque, S; Rödel, V; Stirbet, M

    1999-01-01

    The LHC RF system, which must handle high intensity (0.5 A d.c.) beams, makes use of superconducting single-cell cavities, best suited to minimizing the effects of periodic transient beam loading. There will be eight cavities per beam, each capable of delivering 2 MV (5 MV/m accelerating field) at 400 MHz. The cavities themselves are now being manufactured by industry, using niobium-on-copper technology which gives full satisfaction at LEP. A cavity unit includes a helium tank (4.5 K operating temperature) built around a cavity cell, RF and HOM couplers and a mechanical tuner, all housed in a modular cryostat. Four-unit modules are ultimately foreseen for the LHC (two per beam), while at present a prototype version with two complete units is being extensively tested. In addition to a detailed description of the cavity and its ancillary equipment, the first test results of the prototype will be reported.

  5. LEP copper accelerating cavities

    CERN Multimedia

    Laurent Guiraud

    1999-01-01

    These copper cavities were used to generate the radio frequency electric field that was used to accelerate electrons and positrons around the 27-km Large Electron-Positron (LEP) collider at CERN, which ran from 1989 to 2000. The copper cavities were gradually replaced from 1996 with new superconducting cavities allowing the collision energy to rise from 90 GeV to 200 GeV by mid-1999.

  6. NetOglyc: prediction of mucin type O-glycosylation sites based on sequence context and surface accessibility

    DEFF Research Database (Denmark)

    Hansen, Jan Erik; Lund, Ole; Tolstrup, Niels

    1998-01-01

    -glycosylated serine and threonine residues in independent test sets, thus proving more accurate than matrix statistics and vector projection methods. Predicition of O-glycosylation sites in the envelope glycoprotein gp120 from the primate lentiviruses HIV-1, HIV-2 and SIV are presented. The most conserved O...... structure and surface accessibility. The sequence context of glycosylated threonines was found to differ from that of serine, and the sites were found to cluster. Non-clustered sites had a sequence context different from that of clustered sites. charged residues were disfavoured at postition -1 and +3......-glycosylation signals in these evolutionary-related glycoproteins were found in their first hypervariable loop, V1. However, the strain variation for HIV-1 gp120 was significant. A computer server, available through WWW or E-mail, has been developed for prediction of mucin type O-glycosylation sites in proteins based...

  7. Predicting risk of trace element pollution from municipal roads using site-specific soil samples and remotely sensed data.

    Science.gov (United States)

    Reeves, Mari Kathryn; Perdue, Margaret; Munk, Lee Ann; Hagedorn, Birgit

    2018-07-15

    Studies of environmental processes exhibit spatial variation within data sets. The ability to derive predictions of risk from field data is a critical path forward in understanding the data and applying the information to land and resource management. Thanks to recent advances in predictive modeling, open source software, and computing, the power to do this is within grasp. This article provides an example of how we predicted relative trace element pollution risk from roads across a region by combining site specific trace element data in soils with regional land cover and planning information in a predictive model framework. In the Kenai Peninsula of Alaska, we sampled 36 sites (191 soil samples) adjacent to roads for trace elements. We then combined this site specific data with freely-available land cover and urban planning data to derive a predictive model of landscape scale environmental risk. We used six different model algorithms to analyze the dataset, comparing these in terms of their predictive abilities and the variables identified as important. Based on comparable predictive abilities (mean R 2 from 30 to 35% and mean root mean square error from 65 to 68%), we averaged all six model outputs to predict relative levels of trace element deposition in soils-given the road surface, traffic volume, sample distance from the road, land cover category, and impervious surface percentage. Mapped predictions of environmental risk from toxic trace element pollution can show land managers and transportation planners where to prioritize road renewal or maintenance by each road segment's relative environmental and human health risk. Published by Elsevier B.V.

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

    Science.gov (United States)

    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.

  9. Bayesian Poisson hierarchical models for crash data analysis: Investigating the impact of model choice on site-specific predictions.

    Science.gov (United States)

    Khazraee, S Hadi; Johnson, Valen; Lord, Dominique

    2018-08-01

    The Poisson-gamma (PG) and Poisson-lognormal (PLN) regression models are among the most popular means for motor vehicle crash data analysis. Both models belong to the Poisson-hierarchical family of models. While numerous studies have compared the overall performance of alternative Bayesian Poisson-hierarchical models, little research has addressed the impact of model choice on the expected crash frequency prediction at individual sites. This paper sought to examine whether there are any trends among candidate models predictions e.g., that an alternative model's prediction for sites with certain conditions tends to be higher (or lower) than that from another model. In addition to the PG and PLN models, this research formulated a new member of the Poisson-hierarchical family of models: the Poisson-inverse gamma (PIGam). Three field datasets (from Texas, Michigan and Indiana) covering a wide range of over-dispersion characteristics were selected for analysis. This study demonstrated that the model choice can be critical when the calibrated models are used for prediction at new sites, especially when the data are highly over-dispersed. For all three datasets, the PIGam model would predict higher expected crash frequencies than would the PLN and PG models, in order, indicating a clear link between the models predictions and the shape of their mixing distributions (i.e., gamma, lognormal, and inverse gamma, respectively). The thicker tail of the PIGam and PLN models (in order) may provide an advantage when the data are highly over-dispersed. The analysis results also illustrated a major deficiency of the Deviance Information Criterion (DIC) in comparing the goodness-of-fit of hierarchical models; models with drastically different set of coefficients (and thus predictions for new sites) may yield similar DIC values, because the DIC only accounts for the parameters in the lowest (observation) level of the hierarchy and ignores the higher levels (regression coefficients

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

    Science.gov (United States)

    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.

  11. NetPhosYeast: prediction of protein phosphorylation sites in yeast

    DEFF Research Database (Denmark)

    Ingrell, C.R.; Miller, Martin Lee; Jensen, O.N.

    2007-01-01

    sites compared to those in humans, suggesting the need for an yeast-specific phosphorylation site predictor. NetPhosYeast achieves a correlation coefficient close to 0.75 with a sensitivity of 0.84 and specificity of 0.90 and outperforms existing predictors in the identification of phosphorylation sites...

  12. Neural network model for the prediction of PM10 daily concentrations in two sites in the Western Mediterranean.

    Science.gov (United States)

    de Gennaro, Gianluigi; Trizio, Livia; Di Gilio, Alessia; Pey, Jorge; Pérez, Noemi; Cusack, Michael; Alastuey, Andrés; Querol, Xavier

    2013-10-01

    An artificial neural network (ANN) was developed and tested to forecast PM10 daily concentration in two contrasted environments in NE Spain, a regional background site (Montseny), and an urban background site (Barcelona-CSIC), which was highly influenced by vehicular emissions. In order to predict 24-h average PM10 concentrations, the artificial neural network previously developed by Caselli et al. (2009) was improved by using hourly PM concentrations and deterministic factors such as a Saharan dust alert. In particular, the model input data for prediction were the hourly PM10 concentrations 1-day in advance, local meteorological data and information about air masses origin. The forecasted performance indexes for both sites were calculated and they showed better results for the regional background site in Montseny (R(2)=0.86, SI=0.75) than for urban site in Barcelona (R(2)=0.73, SI=0.58), influenced by local and sometimes unexpected sources. Moreover, a sensitivity analysis conducted to understand the importance of the different variables included among the input data, showed that local meteorology and air masses origin are key factors in the model forecasts. This result explains the reason for the improvement of ANN's forecasting performance at the Montseny site with respect to the Barcelona site. Moreover, the artificial neural network developed in this work could prove useful to predict PM10 concentrations, especially, at regional background sites such as those on the Mediterranean Basin which are primarily affected by long-range transports. Hence, the artificial neural network presented here could be a powerful tool for obtaining real time information on air quality status and could aid stakeholders in their development of cost-effective control strategies. © 2013 Elsevier B.V. All rights reserved.

  13. Application of 3D Electrical Resistivity Tomography As A Tool for Mapping Subsurface Cavities in a Kaolin Mining Site at Kankara in North Central Nigeria.

    Science.gov (United States)

    Eshimiakhe, D.; Jimoh, R.

    2017-12-01

    A Kaolin mining site at Dajin Gwanma in north central Nigeria was investigated to determine the possibility of using 3D ERT to detect subsurface voids created due to mining of kaolin deposit and to perhaps suggest areas prone to subsidence. This study was undertaken on conceptual resistivity model that subsurface voids characterized by higher or lower resistivity than the host, depending on weather the void is in-filled water or not. The data collection was carried out with Terrameter SAS 4000 and ES 464 electrode selector equipment. Dipole-dipole configuration at electrode spacing of 5m was used to acquire the data along parallel profiles laid at equal interval in the study area. While the acquired data along each profile were inverted with 2D algorithm, a script file was created to collate the 2D data set into a 3D format and subsequently inverted using 3D algorithm. A volumetric resistivity model block of the study area was also created using the voxler 4 software. The results show that the voids are characterized by high resistivity (950Ωm-2500Ωm) at depth of between 0-4m and low resistivity (10Ωm-100Ωm) at a depth of 5-30m indicating both air-filled and water-filled voids respectively. The study shows that the voids increase in dimension with depth in NW-SE direction, suggesting that the voids are trending most probably along vertical bedrock joints. It also suggest that voids may overtime grow large enough that the overlying top soil can no longer bridge it, leading to its collapse.

  14. A neural network method for identification of prokaryotic and eukaryotic signal peptides and prediction of their cleavage sites

    DEFF Research Database (Denmark)

    Nielsen, Henrik; Engelbrecht, Jacob; Brunak, Søren

    1997-01-01

    We have developed a new method for the identication of signal peptides and their cleavage sites based on neural networks trained on separate sets of prokaryotic and eukaryotic sequences. The method performs signicantly better than previous prediction schemes, and can easily be applied to genome...

  15. V S30, slope, H 800 and f 0: performance of various site-condition proxies in reducing ground-motion aleatory variability and predicting nonlinear site response

    Science.gov (United States)

    Derras, Boumédiène; Bard, Pierre-Yves; Cotton, Fabrice

    2017-09-01

    The aim of this paper is to investigate the ability of various site-condition proxies (SCPs) to reduce ground-motion aleatory variability and evaluate how SCPs capture nonlinearity site effects. The SCPs used here are time-averaged shear-wave velocity in the top 30 m ( V S30), the topographical slope (slope), the fundamental resonance frequency ( f 0) and the depth beyond which V s exceeds 800 m/s ( H 800). We considered first the performance of each SCP taken alone and then the combined performance of the 6 SCP pairs [ V S30- f 0], [ V S30- H 800], [ f 0-slope], [ H 800-slope], [ V S30-slope] and [ f 0- H 800]. This analysis is performed using a neural network approach including a random effect applied on a KiK-net subset for derivation of ground-motion prediction equations setting the relationship between various ground-motion parameters such as peak ground acceleration, peak ground velocity and pseudo-spectral acceleration PSA ( T), and M w, R JB, focal depth and SCPs. While the choice of SCP is found to have almost no impact on the median ground-motion prediction, it does impact the level of aleatory uncertainty. V S30 is found to perform the best of single proxies at short periods ( T < 0.6 s), while f 0 and H 800 perform better at longer periods; considering SCP pairs leads to significant improvements, with particular emphasis on [ V S30- H 800] and [ f 0-slope] pairs. The results also indicate significant nonlinearity on the site terms for soft sites and that the most relevant loading parameter for characterising nonlinear site response is the "stiff" spectral ordinate at the considered period.[Figure not available: see fulltext.

  16. Prediction of protein binding sites using physical and chemical descriptors and the support vector machine regression method

    International Nuclear Information System (INIS)

    Sun Zhong-Hua; Jiang Fan

    2010-01-01

    In this paper a new continuous variable called core-ratio is defined to describe the probability for a residue to be in a binding site, thereby replacing the previous binary description of the interface residue using 0 and 1. So we can use the support vector machine regression method to fit the core-ratio value and predict the protein binding sites. We also design a new group of physical and chemical descriptors to characterize the binding sites. The new descriptors are more effective, with an averaging procedure used. Our test shows that much better prediction results can be obtained by the support vector regression (SVR) method than by the support vector classification method. (rapid communication)

  17. The Surgical Site Infection Risk Score (SSIRS: A Model to Predict the Risk of Surgical Site Infections.

    Directory of Open Access Journals (Sweden)

    Carl van Walraven

    Full Text Available Surgical site infections (SSI are an important cause of peri-surgical morbidity with risks that vary extensively between patients and surgeries. Quantifying SSI risk would help identify candidates most likely to benefit from interventions to decrease the risk of SSI.We randomly divided all surgeries recorded in the National Surgical Quality Improvement Program from 2010 into a derivation and validation population. We used multivariate logistic regression to determine the independent association of patient and surgical covariates with the risk of any SSI (including superficial, deep, and organ space SSI within 30 days of surgery. To capture factors particular to specific surgeries, we developed a surgical risk score specific to all surgeries having a common first 3 numbers of their CPT code.Derivation (n = 181 894 and validation (n = 181 146 patients were similar for all demographics, past medical history, and surgical factors. Overall SSI risk was 3.9%. The SSI Risk Score (SSIRS found that risk increased with patient factors (smoking, increased body mass index, certain comorbidities (peripheral vascular disease, metastatic cancer, chronic steroid use, recent sepsis, and operative characteristics (surgical urgency; increased ASA class; longer operation duration; infected wounds; general anaesthesia; performance of more than one procedure; and CPT score. In the validation population, the SSIRS had good discrimination (c-statistic 0.800, 95% CI 0.795-0.805 and calibration.SSIRS can be calculated using patient and surgery information to estimate individual risk of SSI for a broad range of surgery types.

  18. GPS 2.1: enhanced prediction of kinase-specific phosphorylation sites with an algorithm of motif length selection.

    Science.gov (United States)

    Xue, Yu; Liu, Zexian; Cao, Jun; Ma, Qian; Gao, Xinjiao; Wang, Qingqi; Jin, Changjiang; Zhou, Yanhong; Wen, Longping; Ren, Jian

    2011-03-01

    As the most important post-translational modification of proteins, phosphorylation plays essential roles in all aspects of biological processes. Besides experimental approaches, computational prediction of phosphorylated proteins with their kinase-specific phosphorylation sites has also emerged as a popular strategy, for its low-cost, fast-speed and convenience. In this work, we developed a kinase-specific phosphorylation sites predictor of GPS 2.1 (Group-based Prediction System), with a novel but simple approach of motif length selection (MLS). By this approach, the robustness of the prediction system was greatly improved. All algorithms in GPS old versions were also reserved and integrated in GPS 2.1. The online service and local packages of GPS 2.1 were implemented in JAVA 1.5 (J2SE 5.0) and freely available for academic researches at: http://gps.biocuckoo.org.

  19. Efficacy of GPS cluster analysis for predicting carnivory sites of a wide-ranging omnivore: the American black bear

    Science.gov (United States)

    Kindschuh, Sarah R.; Cain, James W.; Daniel, David; Peyton, Mark A.

    2016-01-01

    The capacity to describe and quantify predation by large carnivores expanded considerably with the advent of GPS technology. Analyzing clusters of GPS locations formed by carnivores facilitates the detection of predation events by identifying characteristics which distinguish predation sites. We present a performance assessment of GPS cluster analysis as applied to the predation and scavenging of an omnivore, the American black bear (Ursus americanus), on ungulate prey and carrion. Through field investigations of 6854 GPS locations from 24 individual bears, we identified 54 sites where black bears formed a cluster of locations while predating or scavenging elk (Cervus elaphus), mule deer (Odocoileus hemionus), or cattle (Bos spp.). We developed models for three data sets to predict whether a GPS cluster was formed at a carnivory site vs. a non-carnivory site (e.g., bed sites or non-ungulate foraging sites). Two full-season data sets contained GPS locations logged at either 3-h or 30-min intervals from April to November, and a third data set contained 30-min interval data from April through July corresponding to the calving period for elk. Longer fix intervals resulted in the detection of fewer carnivory sites. Clusters were more likely to be carnivory sites if they occurred in open or edge habitats, if they occurred in the early season, if the mean distance between all pairs of GPS locations within the cluster was less, and if the cluster endured for a longer period of time. Clusters were less likely to be carnivory sites if they were initiated in the morning or night compared to the day. The top models for each data set performed well and successfully predicted 71–96% of field-verified carnivory events, 55–75% of non–carnivory events, and 58–76% of clusters overall. Refinement of this method will benefit from further application across species and ecological systems.

  20. Implications of next generation attenuation ground motion prediction equations for site coefficients used in earthquake resistant design

    Science.gov (United States)

    Borcherdt, Roger D.

    2014-01-01

    Proposals are developed to update Tables 11.4-1 and 11.4-2 of Minimum Design Loads for Buildings and Other Structures published as American Society of Civil Engineers Structural Engineering Institute standard 7-10 (ASCE/SEI 7–10). The updates are mean next generation attenuation (NGA) site coefficients inferred directly from the four NGA ground motion prediction equations used to derive the maximum considered earthquake response maps adopted in ASCE/SEI 7–10. Proposals include the recommendation to use straight-line interpolation to infer site coefficients at intermediate values of (average shear velocity to 30-m depth). The NGA coefficients are shown to agree well with adopted site coefficients at low levels of input motion (0.1 g) and those observed from the Loma Prieta earthquake. For higher levels of input motion, the majority of the adopted values are within the 95% epistemic-uncertainty limits implied by the NGA estimates with the exceptions being the mid-period site coefficient, Fv, for site class D and the short-period coefficient, Fa, for site class C, both of which are slightly less than the corresponding 95% limit. The NGA data base shows that the median value  of 913 m/s for site class B is more typical than 760 m/s as a value to characterize firm to hard rock sites as the uniform ground condition for future maximum considered earthquake response ground motion estimates. Future updates of NGA ground motion prediction equations can be incorporated easily into future adjustments of adopted site coefficients using procedures presented herein. 

  1. Acoustic trapping in bubble-bounded micro-cavities

    Science.gov (United States)

    O'Mahoney, P.; McDougall, C.; Glynne-Jones, P.; MacDonald, M. P.

    2016-12-01

    We present a method for controllably producing longitudinal acoustic trapping sites inside microfluidic channels. Air bubbles are injected into a micro-capillary to create bubble-bounded `micro-cavities'. A cavity mode is formed that shows controlled longitudinal acoustic trapping between the two air/water interfaces along with the levitation to the centre of the channel that one would expect from a lower order lateral mode. 7 μm and 10 μm microspheres are trapped at the discrete acoustic trapping sites in these micro-cavities.We show this for several lengths of micro-cavity.

  2. Cavity design programs

    International Nuclear Information System (INIS)

    Nelson, E.M.

    1996-01-01

    Numerous computer programs are available to help accelerator physicists and engineers model and design accelerator cavities and other microwave components. This article discusses the problems these programs solve and the principles upon which these programs are based. Some examples of how these programs are used in the design of accelerator cavities are also given

  3. Cavity quantum electrodynamics

    International Nuclear Information System (INIS)

    Walther, Herbert; Varcoe, Benjamin T H; Englert, Berthold-Georg; Becker, Thomas

    2006-01-01

    This paper reviews the work on cavity quantum electrodynamics of free atoms. In recent years, cavity experiments have also been conducted on a variety of solid-state systems resulting in many interesting applications, of which microlasers, photon bandgap structures and quantum dot structures in cavities are outstanding examples. Although these phenomena and systems are very interesting, discussion is limited here to free atoms and mostly single atoms because these systems exhibit clean quantum phenomena and are not disturbed by a variety of other effects. At the centre of our review is the work on the one-atom maser, but we also give a survey of the entire field, using free atoms in order to show the large variety of problems dealt with. The cavity interaction can be separated into two main regimes: the weak coupling in cavity or cavity-like structures with low quality factors Q and the strong coupling when high-Q cavities are involved. The weak coupling leads to modification of spontaneous transitions and level shifts, whereas the strong coupling enables one to observe a periodic exchange of photons between atoms and the radiation field. In this case, atoms and photons are entangled, this being the basis for a variety of phenomena observed, some of them leading to interesting applications in quantum information processing. The cavity experiments with free atoms reached a new domain with the advent of experiments in the visible spectral region. A review on recent achievements in this area is also given

  4. Formation of coronal cavities

    International Nuclear Information System (INIS)

    An, C.H.; Suess, S.T.; Tandberg-Hanssen, E.; Steinolfson, R.S.

    1986-01-01

    A theoretical study of the formation of a coronal cavity and its relation to a quiescent prominence is presented. It is argued that the formation of a cavity is initiated by the condensation of plasma which is trapped by the coronal magnetic field in a closed streamer and which then flows down to the chromosphere along the field lines due to lack of stable magnetic support against gravity. The existence of a coronal cavity depends on the coronal magnetic field strength; with low strength, the plasma density is not high enough for condensation to occur. Furthermore, we suggest that prominence and cavity material is supplied from the chromospheric level. Whether a coronal cavity and a prominence coexist depends on the magnetic field configuration; a prominence requires stable magnetic support

  5. Prediction of suspended-sediment concentrations at selected sites in the Fountain Creek watershed, Colorado, 2008-09

    Science.gov (United States)

    Stogner, Sr., Robert W.; Nelson, Jonathan M.; McDonald, Richard R.; Kinzel, Paul J.; Mau, David P.

    2013-01-01

    In 2008, the U.S. Geological Survey (USGS), in cooperation with Pikes Peak Area Council of Governments, Colorado Water Conservation Board, Colorado Springs City Engineering, and the Lower Arkansas Valley Water Conservancy District, began a small-scale pilot study to evaluate the effectiveness of the use of a computational model of streamflow and suspended-sediment transport for predicting suspended-sediment concentrations and loads in the Fountain Creek watershed in Colorado. Increased erosion and sedimentation damage have been identified by the Fountain Creek Watershed Plan as key problems within the watershed. A recommendation in the Fountain Creek Watershed plan for management of the basin is to establish measurable criteria to determine if progress in reducing erosion and sedimentation damage is being made. The major objective of this study was to test a computational method to predict local suspended-sediment loads at two sites with different geomorphic characteristics in order to evaluate the feasibility of using such an approach to predict local suspended-sediment loads throughout the entire watershed. Detailed topographic surveys, particle-size data, and suspended-sediment samples were collected at two gaged sites: Monument Creek above Woodmen Road at Colorado Springs, Colorado (USGS gage 07103970), and Sand Creek above mouth at Colorado Springs, Colorado (USGS gage 07105600). These data were used to construct three-dimensional computational models of relatively short channel reaches at each site. The streamflow component of these models predicted a spatially distributed field of water-surface elevation, water velocity, and bed shear stress for a range of stream discharges. Using the model predictions, along with measured particle sizes, the sediment-transport component of the model predicted the suspended-sediment concentration throughout the reach of interest. These computed concentrations were used with predicted flow patterns and channel morphology to

  6. Predicting redwood productivity using biophysical data, spatial statistics and site quality indices

    Science.gov (United States)

    John-Pascal Berrill; Kevin L. O’Hara; Shawn Headley

    2017-01-01

    Coast redwood (Sequoia sempervirens (D. Don) Endl.) height growth and basal area growth are sensitive to variations in site quality. Site factors known to be correlated with redwood stand growth and yield include topographic variables such as position on slope, exposure, and the composite variable: topographic relative moisture index. Species...

  7. SPS RF Accelerating Cavity

    CERN Multimedia

    1979-01-01

    This picture shows one of the 2 new cavities installed in 1978-1979. The main RF-system of the SPS comprises four cavities: two of 20 m length and two of 16.5 m length. They are all installed in one long straight section (LSS 3). These cavities are of the travelling-wave type operating at a centre frequency of 200.2 MHz. They are wideband, filling time about 700 ns and untuned. The power amplifiers, using tetrodes are installed in a surface building 200 m from the cavities. Initially only two cavities were installed, a third cavity was installed in 1978 and a forth one in 1979. The number of power amplifiers was also increased: to the first 2 MW plant a second 2 MW plant was added and by end 1979 there were 8 500 kW units combined in pairs to feed each of the 4 cavities with up to about 1 MW RF power, resulting in a total accelerating voltage of about 8 MV. See also 7412016X, 7412017X, 7411048X

  8. Superconducting TESLA cavities

    Directory of Open Access Journals (Sweden)

    B. Aune

    2000-09-01

    Full Text Available The conceptional design of the proposed linear electron-positron collider TESLA is based on 9-cell 1.3 GHz superconducting niobium cavities with an accelerating gradient of E_{acc}≥25 MV/m at a quality factor Q_{0}≥5×10^{9}. The design goal for the cavities of the TESLA Test Facility (TTF linac was set to the more moderate value of E_{acc}≥15 MV/m. In a first series of 27 industrially produced TTF cavities the average gradient at Q_{0}=5×10^{9} was measured to be 20.1±6.2 MV/m, excluding a few cavities suffering from serious fabrication or material defects. In the second production of 24 TTF cavities, additional quality control measures were introduced, in particular, an eddy-current scan to eliminate niobium sheets with foreign material inclusions and stringent prescriptions for carrying out the electron-beam welds. The average gradient of these cavities at Q_{0}=5×10^{9} amounts to 25.0±3.2 MV/m with the exception of one cavity suffering from a weld defect. Hence only a moderate improvement in production and preparation techniques will be needed to meet the ambitious TESLA goal with an adequate safety margin. In this paper we present a detailed description of the design, fabrication, and preparation of the TESLA Test Facility cavities and their associated components and report on cavity performance in test cryostats and with electron beam in the TTF linac. The ongoing research and development towards higher gradients is briefly addressed.

  9. Staging of early lymph node metastases with the sentinel lymph node technique and predictive factors in T1/T2 oral cavity cancer

    DEFF Research Database (Denmark)

    Pedersen, Nicklas Juel; Jensen, David Hebbelstrup; Hedbäck, Nora

    2015-01-01

    BACKGROUND: The purpose of this study was to examine the diagnostic accuracy of detecting lymph node metastases and to identify predictive and prognostic clinicopathological factors in patients with oral squamous cell carcinoma (OSCC) undergoing sentinel lymph node biopsy (SLNB). METHODS: All...

  10. Cavity-enhanced spectroscopies

    CERN Document Server

    van Zee, Roger

    2003-01-01

    ""Cavity-Enhanced Spectroscopy"" discusses the use of optical resonators and lasers to make sensitive spectroscopic measurements. This volume is written by the researcchers who pioneered these methods. The book reviews both the theory and practice behind these spectroscopic tools and discusses the scientific discoveries uncovered by these techniques. It begins with a chapter on the use of optical resonators for frequency stabilization of lasers, which is followed by in-depth chapters discussing cavity ring-down spectroscopy, frequency-modulated, cavity-enhanced spectroscopy, intracavity spectr

  11. Tuned optical cavity magnetometer

    Science.gov (United States)

    Okandan, Murat; Schwindt, Peter

    2010-11-02

    An atomic magnetometer is disclosed which utilizes an optical cavity formed from a grating and a mirror, with a vapor cell containing an alkali metal vapor located inside the optical cavity. Lasers are used to magnetically polarize the alkali metal vapor and to probe the vapor and generate a diffracted laser beam which can be used to sense a magnetic field. Electrostatic actuators can be used in the magnetometer for positioning of the mirror, or for modulation thereof. Another optical cavity can also be formed from the mirror and a second grating for sensing, adjusting, or stabilizing the position of the mirror.

  12. Hydroforming of elliptical cavities

    Science.gov (United States)

    Singer, W.; Singer, X.; Jelezov, I.; Kneisel, P.

    2015-02-01

    Activities of the past several years in developing the technique of forming seamless (weldless) cavity cells by hydroforming are summarized. An overview of the technique developed at DESY for the fabrication of single cells and multicells of the TESLA cavity shape is given and the major rf results are presented. The forming is performed by expanding a seamless tube with internal water pressure while simultaneously swaging it axially. Prior to the expansion the tube is necked at the iris area and at the ends. Tube radii and axial displacements are computer controlled during the forming process in accordance with results of finite element method simulations for necking and expansion using the experimentally obtained strain-stress relationship of tube material. In cooperation with industry different methods of niobium seamless tube production have been explored. The most appropriate and successful method is a combination of spinning or deep drawing with flow forming. Several single-cell niobium cavities of the 1.3 GHz TESLA shape were produced by hydroforming. They reached accelerating gradients Eacc up to 35 MV /m after buffered chemical polishing (BCP) and up to 42 MV /m after electropolishing (EP). More recent work concentrated on fabrication and testing of multicell and nine-cell cavities. Several seamless two- and three-cell units were explored. Accelerating gradients Eacc of 30 - 35 MV /m were measured after BCP and Eacc up to 40 MV /m were reached after EP. Nine-cell niobium cavities combining three three-cell units were completed at the company E. Zanon. These cavities reached accelerating gradients of Eacc=30 - 35 MV /m . One cavity is successfully integrated in an XFEL cryomodule and is used in the operation of the FLASH linear accelerator at DESY. Additionally the fabrication of bimetallic single-cell and multicell NbCu cavities by hydroforming was successfully developed. Several NbCu clad single-cell and double-cell cavities of the TESLA shape have been

  13. Hydroforming of elliptical cavities

    Directory of Open Access Journals (Sweden)

    W. Singer

    2015-02-01

    Full Text Available Activities of the past several years in developing the technique of forming seamless (weldless cavity cells by hydroforming are summarized. An overview of the technique developed at DESY for the fabrication of single cells and multicells of the TESLA cavity shape is given and the major rf results are presented. The forming is performed by expanding a seamless tube with internal water pressure while simultaneously swaging it axially. Prior to the expansion the tube is necked at the iris area and at the ends. Tube radii and axial displacements are computer controlled during the forming process in accordance with results of finite element method simulations for necking and expansion using the experimentally obtained strain-stress relationship of tube material. In cooperation with industry different methods of niobium seamless tube production have been explored. The most appropriate and successful method is a combination of spinning or deep drawing with flow forming. Several single-cell niobium cavities of the 1.3 GHz TESLA shape were produced by hydroforming. They reached accelerating gradients E_{acc} up to 35  MV/m after buffered chemical polishing (BCP and up to 42  MV/m after electropolishing (EP. More recent work concentrated on fabrication and testing of multicell and nine-cell cavities. Several seamless two- and three-cell units were explored. Accelerating gradients E_{acc} of 30–35  MV/m were measured after BCP and E_{acc} up to 40  MV/m were reached after EP. Nine-cell niobium cavities combining three three-cell units were completed at the company E. Zanon. These cavities reached accelerating gradients of E_{acc}=30–35  MV/m. One cavity is successfully integrated in an XFEL cryomodule and is used in the operation of the FLASH linear accelerator at DESY. Additionally the fabrication of bimetallic single-cell and multicell NbCu cavities by hydroforming was successfully developed. Several NbCu clad single-cell and

  14. Coastline Mapping and Cultural Review to Predict Sea Level Rise Impact on Hawaiian Archeological Sites

    Science.gov (United States)

    Clinton, J.

    2017-12-01

    Much of Hawaii's history is recorded in archeological sites. Researchers and cultural practitioners have been studying and reconstructing significant archeological sites for generations. Climate change, and more specifically, sea level rise may threaten these sites. Our research records current sea levels and then projects possible consequences to these cultural monuments due to sea level rise. In this mixed methods study, research scientists, cultural practitioners, and secondary students use plane-table mapping techniques to create maps of coastlines and historic sites. Students compare historical records to these maps, analyze current sea level rise trends, and calculate future sea levels. They also gather data through interviews with community experts and kupuna (elders). If climate change continues at projected rates, some historic sites will be in danger of negative impact due to sea level rise. Knowing projected sea levels at specific sites allows for preventative action and contributes to raised awareness of the impacts of climate change to the Hawaiian Islands. Students will share results with the community and governmental agencies in hopes of inspiring action to minimize climate change. It will take collaboration between scientists and cultural communities to inspire future action on climate change.

  15. Predicting ambient aerosol thermal-optical reflectance (TOR) measurements from infrared spectra: extending the predictions to different years and different sites

    Science.gov (United States)

    Reggente, Matteo; Dillner, Ann M.; Takahama, Satoshi

    2016-02-01

    Organic carbon (OC) and elemental carbon (EC) are major components of atmospheric particulate matter (PM), which has been associated with increased morbidity and mortality, climate change, and reduced visibility. Typically OC and EC concentrations are measured using thermal-optical methods such as thermal-optical reflectance (TOR) from samples collected on quartz filters. In this work, we estimate TOR OC and EC using Fourier transform infrared (FT-IR) absorbance spectra from polytetrafluoroethylene (PTFE Teflon) filters using partial least square regression (PLSR) calibrated to TOR OC and EC measurements for a wide range of samples. The proposed method can be integrated with analysis of routinely collected PTFE filter samples that, in addition to OC and EC concentrations, can concurrently provide information regarding the functional group composition of the organic aerosol. We have used the FT-IR absorbance spectra and TOR OC and EC concentrations collected in the Interagency Monitoring of PROtected Visual Environments (IMPROVE) network (USA). We used 526 samples collected in 2011 at seven sites to calibrate the models, and more than 2000 samples collected in 2013 at 17 sites to test the models. Samples from six sites are present both in the calibration and test sets. The calibrations produce accurate predictions both for samples collected at the same six sites present in the calibration set (R2 = 0.97 and R2 = 0.95 for OC and EC respectively), and for samples from 9 of the 11 sites not included in the calibration set (R2 = 0.96 and R2 = 0.91 for OC and EC respectively). Samples collected at the other two sites require a different calibration model to achieve accurate predictions. We also propose a method to anticipate the prediction error; we calculate the squared Mahalanobis distance in the feature space (scores determined by PLSR) between new spectra and spectra in the calibration set. The squared Mahalanobis distance provides a crude method for assessing the

  16. SPS accelerating cavity

    CERN Multimedia

    CERN PhotoLab

    1976-01-01

    The SPS started up with 2 accelerating cavities (each consisting of 5 tank sections) in LSS3. They have a 200 MHz travelling wave structure (see 7411032 and 7802190) and 750 kW of power is fed to each of the cavities from a 1 MW tetrode power amplifier, located in a surface building above, via a coaxial transmission line. Clemens Zettler, builder of the SPS RF system, is standing at the side of one of the cavities. In 1978 and 1979 another 2 cavities were added and entered service in 1980. These were part of the intensity improvement programme and served well for the new role of the SPS as proton-antiproton collider. See also 7411032, 8011289, 8104138, 8302397.

  17. Dental Sealants Prevent Cavities

    Science.gov (United States)

    ... Digital Press Kit Read the MMWR Science Clips Dental Sealants Prevent Cavities Effective protection for children Language: ... more use of sealants and reimbursement of services. Dental care providers can Apply sealants to children at ...

  18. Statistical electromagnetics: Complex cavities

    NARCIS (Netherlands)

    Naus, H.W.L.

    2008-01-01

    A selection of the literature on the statistical description of electromagnetic fields and complex cavities is concisely reviewed. Some essential concepts, for example, the application of the central limit theorem and the maximum entropy principle, are scrutinized. Implicit assumptions, biased

  19. accelerating cavity from LEP

    CERN Multimedia

    This is an accelerating cavity from LEP, with a layer of niobium on the inside. Operating at 4.2 degrees above absolute zero, the niobium is superconducting and carries an accelerating field of 6 million volts per metre with negligible losses. Each cavity has a surface of 6 m2. The niobium layer is only 1.2 microns thick, ten times thinner than a hair. Such a large area had never been coated to such a high accuracy. A speck of dust could ruin the performance of the whole cavity so the work had to be done in an extremely clean environment. These challenging requirements pushed European industry to new achievements. 256 of these cavities are now used in LEP to double the energy of the particle beams.

  20. Hybrid vertical cavity laser

    DEFF Research Database (Denmark)

    Chung, Il-Sug; Mørk, Jesper

    2010-01-01

    A new hybrid vertical cavity laser structure for silicon photonics is suggested and numerically investigated. It incorporates a silicon subwavelength grating as a mirror and a lateral output coupler to a silicon ridge waveguide.......A new hybrid vertical cavity laser structure for silicon photonics is suggested and numerically investigated. It incorporates a silicon subwavelength grating as a mirror and a lateral output coupler to a silicon ridge waveguide....

  1. Control of Acoustics and Store Separation in a Cavity in Supersonic Flow

    National Research Council Canada - National Science Library

    Sahoo, Debashis

    2005-01-01

    .... For the first problem, an innovative cavity acoustics model is developed that rigorously explains the role of leading edge microjets in cavity noise suppression and predicts the magnitude of noise...

  2. The Superconducting TESLA Cavities

    CERN Document Server

    Aune, B.; Bloess, D.; Bonin, B.; Bosotti, A.; Champion, M.; Crawford, C.; Deppe, G.; Dwersteg, B.; Edwards, D.A.; Edwards, H.T.; Ferrario, M.; Fouaidy, M.; Gall, P-D.; Gamp, A.; Gössel, A.; Graber, J.; Hubert, D.; Hüning, M.; Juillard, M.; Junquera, T.; Kaiser, H.; Kreps, G.; Kuchnir, M.; Lange, R.; Leenen, M.; Liepe, M.; Lilje, L.; Matheisen, A.; Möller, W-D.; Mosnier, A.; Padamsee, H.; Pagani, C.; Pekeler, M.; Peters, H-B.; Peters, O.; Proch, D.; Rehlich, K.; Reschke, D.; Safa, H.; Schilcher, T.; Schmüser, P.; Sekutowicz, J.; Simrock, S.; Singer, W.; Tigner, M.; Trines, D.; Twarowski, K.; Weichert, G.; Weisend, J.; Wojtkiewicz, J.; Wolff, S.; Zapfe, K.

    2000-01-01

    The conceptional design of the proposed linear electron-positron colliderTESLA is based on 9-cell 1.3 GHz superconducting niobium cavities with anaccelerating gradient of Eacc >= 25 MV/m at a quality factor Q0 > 5E+9. Thedesign goal for the cavities of the TESLA Test Facility (TTF) linac was set tothe more moderate value of Eacc >= 15 MV/m. In a first series of 27industrially produced TTF cavities the average gradient at Q0 = 5E+9 wasmeasured to be 20.1 +- 6.2 MV/m, excluding a few cavities suffering fromserious fabrication or material defects. In the second production of 24 TTFcavities additional quality control measures were introduced, in particular aneddy-current scan to eliminate niobium sheets with foreign material inclusionsand stringent prescriptions for carrying out the electron-beam welds. Theaverage gradient of these cavities at Q0 = 5E+9 amounts to 25.0 +- 3.2 MV/mwith the exception of one cavity suffering from a weld defect. Hence only amoderate improvement in production and preparation technique...

  3. Verification of geomechanical integrity and prediction of long-term mineral trapping for the Ketzin CO2 storage pilot site

    Science.gov (United States)

    Kempka, Thomas; De Lucia, Marco; Kühn, Michael

    2014-05-01

    Static and dynamic numerical modelling generally accompany the entire CO2 storage site life cycle. Thereto, it is required to match the employed models with field observations on a regular basis in order to predict future site behaviour. We investigated the coupled processes at the Ketzin CO2 storage pilot site [1] using a model coupling concept focusing on the temporal relevance of processes involved (hydraulic, chemical and mechanical) at given time-scales (site operation, abandonment and long-term stabilization). For that purpose, long-term dynamic multi-phase flow simulations [2], [3] established the basis for all simulations discussed in the following. Hereby, pressure changes resulting in geomechanical effects are largest during site operation, whereas geochemical reactions are governed by slow kinetics resulting in a long-term stabilization. To account for mechanical integrity, which may be mainly affected during site operation, we incorporated a regional-scale coupled hydro-mechanical model. Our simulation results show maximum ground surface displacements of about 4 mm, whereas shear and tensile failure are not observed. Consequently, the CO2 storage operation at the Ketzin pilot site does not compromise reservoir, caprock and fault integrity. Chemical processes responsible for mineral trapping are expected to mainly occur during long-term stabilization at the Ketzin pilot site [4]. Hence, our previous assessment [3] was extended by integrating two long-term mineral trapping scenarios. Thereby, mineral trapping contributes to the trapping mechanisms with 11.7 % after 16,000 years of simulation in our conservative and with 30.9 % in our maximum reactivity scenarios. Dynamic flow simulations indicate that only 0.2 % of the CO2 injected (about 67,270 t CO2 in total) is in gaseous state, but structurally trapped after 16,000 years. Depending on the studied long-term scenario, CO2 dissolution is the dominating trapping mechanism with 68.9 % and 88

  4. Atmospheric signals produced by cavity rebound

    International Nuclear Information System (INIS)

    Jones, E.M.; App, F.N.; Whitaker, R.W.

    1993-01-01

    An analysis of the atmospheric acoustic signals produced by a class of low-yield tests conducted just below the base of the alluvial cover in Yucca Flat of the Nevada Test Site (NTS), has revealed a clear manifestation of an elastic, cavity rebound signal. We use modeling as the basis for understanding the observed phenomena

  5. Predicting success of oligomerized pool engineering (OPEN for zinc finger target site sequences

    Directory of Open Access Journals (Sweden)

    Goodwin Mathew J

    2010-11-01

    Full Text Available Abstract Background Precise and efficient methods for gene targeting are critical for detailed functional analysis of genomes and regulatory networks and for potentially improving the efficacy and safety of gene therapies. Oligomerized Pool ENgineering (OPEN is a recently developed method for engineering C2H2 zinc finger proteins (ZFPs designed to bind specific DNA sequences with high affinity and specificity in vivo. Because generation of ZFPs using OPEN requires considerable effort, a computational method for identifying the sites in any given gene that are most likely to be successfully targeted by this method is desirable. Results Analysis of the base composition of experimentally validated ZFP target sites identified important constraints on the DNA sequence space that can be effectively targeted using OPEN. Using alternate encodings to represent ZFP target sites, we implemented Naïve Bayes and Support Vector Machine classifiers capable of distinguishing "active" targets, i.e., ZFP binding sites that can be targeted with a high rate of success, from those that are "inactive" or poor targets for ZFPs generated using current OPEN technologies. When evaluated using leave-one-out cross-validation on a dataset of 135 experimentally validated ZFP target sites, the best Naïve Bayes classifier, designated ZiFOpT, achieved overall accuracy of 87% and specificity+ of 90%, with an ROC AUC of 0.89. When challenged with a completely independent test set of 140 newly validated ZFP target sites, ZiFOpT performance was comparable in terms of overall accuracy (88% and specificity+ (92%, but with reduced ROC AUC (0.77. Users can rank potentially active ZFP target sites using a confidence score derived from the posterior probability returned by ZiFOpT. Conclusion ZiFOpT, a machine learning classifier trained to identify DNA sequences amenable for targeting by OPEN-generated zinc finger arrays, can guide users to target sites that are most likely to function

  6. Automatic generation of bioinformatics tools for predicting protein-ligand binding sites.

    Science.gov (United States)

    Komiyama, Yusuke; Banno, Masaki; Ueki, Kokoro; Saad, Gul; Shimizu, Kentaro

    2016-03-15

    Predictive tools that model protein-ligand binding on demand are needed to promote ligand research in an innovative drug-design environment. However, it takes considerable time and effort to develop predictive tools that can be applied to individual ligands. An automated production pipeline that can rapidly and efficiently develop user-friendly protein-ligand binding predictive tools would be useful. We developed a system for automatically generating protein-ligand binding predictions. Implementation of this system in a pipeline of Semantic Web technique-based web tools will allow users to specify a ligand and receive the tool within 0.5-1 day. We demonstrated high prediction accuracy for three machine learning algorithms and eight ligands. The source code and web application are freely available for download at http://utprot.net They are implemented in Python and supported on Linux. shimizu@bi.a.u-tokyo.ac.jp Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press.

  7. How does vegetation structure influence woodpeckers and secondary cavity nesting birds in African cork oak forest?

    Science.gov (United States)

    Segura, Amalia

    2017-08-01

    The Great Spotted Woodpecker provides important information about the status of a forest in terms of structure and age. As a primary cavity creator, it provides small-medium size cavities for passerines. However, despite its interest as an ecosystem engineer, studies of this species in Africa are scarce. Here, spatially explicit predictive models were used to investigate how forest structural variables are related to both the Great Spotted Woodpecker and secondary cavity nesting birds in Maamora cork oak forest (northwest Morocco). A positive association between Great Spotted Woodpecker and both dead-tree density and large mature trees (>60 cm dbh) was found. This study area, Maamora, has an old-growth forest structure incorporating a broad range of size and condition of live and dead trees, favouring Great Spotted Woodpecker by providing high availability of foraging and excavating sites. Secondary cavity nesting birds, represented by Great Tit, African Blue Tit, and Hoopoe, were predicted by Great Spotted Woodpecker detections. The findings suggest that the conservation of the Maamora cork oak forest could be key to maintaining these hole-nesting birds. However, this forest is threatened by forestry practises and livestock overgrazing and the challenge is therefore to find sustainable management strategies that ensure conservation while allowing its exploitation.

  8. InterProSurf: a web server for predicting interacting sites on protein surfaces

    Science.gov (United States)

    Negi, Surendra S.; Schein, Catherine H.; Oezguen, Numan; Power, Trevor D.; Braun, Werner

    2009-01-01

    Summary A new web server, InterProSurf, predicts interacting amino acid residues in proteins that are most likely to interact with other proteins, given the 3D structures of subunits of a protein complex. The prediction method is based on solvent accessible surface area of residues in the isolated subunits, a propensity scale for interface residues and a clustering algorithm to identify surface regions with residues of high interface propensities. Here we illustrate the application of InterProSurf to determine which areas of Bacillus anthracis toxins and measles virus hemagglutinin protein interact with their respective cell surface receptors. The computationally predicted regions overlap with those regions previously identified as interface regions by sequence analysis and mutagenesis experiments. PMID:17933856

  9. Social Networking Site Use Predicts Changes in Young Adults' Psychological Adjustment

    Science.gov (United States)

    Szwedo, David E.; Mikami, Amori Yee; Allen, Joseph P.

    2012-01-01

    This study examined youths' friendships and posted pictures on social networking sites as predictors of changes in their adjustment over time. Observational, self-report, and peer-report data were obtained from a community sample of 89 young adults interviewed at age 21 and again at age 22. Findings were consistent with a leveling effect for…

  10. Ab initio prediction of mutation-induced cryptic splice-site activation and exon skipping

    Czech Academy of Sciences Publication Activity Database

    Divina, Petr; Kvitkovicova, Andrea; Buratti, E.; Vorechovsky, I.

    2009-01-01

    Roč. 17, č. 6 (2009), s. 759-765 ISSN 1018-4813 Institutional research plan: CEZ:AV0Z50520514 Keywords : mutation * cryptic splice site * exon skipping Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 3.564, year: 2009

  11. Prediction of bird-day carrying capacity on a staging site: a test of depletion models

    NARCIS (Netherlands)

    Nolet, B.A.; Gyimesi, A.; Klaassen, R.H.G.

    2006-01-01

    1. The carrying capacity of a site for migratory water birds, expressed in bird-days, can be of particular conservation value. Several attempts have been made to model this carrying capacity using ideal free distribution models such as, for instance, depletion models, in which the distribution is

  12. Sequence-based prediction of protein-binding sites in DNA: comparative study of two SVM models.

    Science.gov (United States)

    Park, Byungkyu; Im, Jinyong; Tuvshinjargal, Narankhuu; Lee, Wook; Han, Kyungsook

    2014-11-01

    As many structures of protein-DNA complexes have been known in the past years, several computational methods have been developed to predict DNA-binding sites in proteins. However, its inverse problem (i.e., predicting protein-binding sites in DNA) has received much less attention. One of the reasons is that the differences between the interaction propensities of nucleotides are much smaller than those between amino acids. Another reason is that DNA exhibits less diverse sequence patterns than protein. Therefore, predicting protein-binding DNA nucleotides is much harder than predicting DNA-binding amino acids. We computed the interaction propensity (IP) of nucleotide triplets with amino acids using an extensive dataset of protein-DNA complexes, and developed two support vector machine (SVM) models that predict protein-binding nucleotides from sequence data alone. One SVM model predicts protein-binding nucleotides using DNA sequence data alone, and the other SVM model predicts protein-binding nucleotides using both DNA and protein sequences. In a 10-fold cross-validation with 1519 DNA sequences, the SVM model that uses DNA sequence data only predicted protein-binding nucleotides with an accuracy of 67.0%, an F-measure of 67.1%, and a Matthews correlation coefficient (MCC) of 0.340. With an independent dataset of 181 DNAs that were not used in training, it achieved an accuracy of 66.2%, an F-measure 66.3% and a MCC of 0.324. Another SVM model that uses both DNA and protein sequences achieved an accuracy of 69.6%, an F-measure of 69.6%, and a MCC of 0.383 in a 10-fold cross-validation with 1519 DNA sequences and 859 protein sequences. With an independent dataset of 181 DNAs and 143 proteins, it showed an accuracy of 67.3%, an F-measure of 66.5% and a MCC of 0.329. Both in cross-validation and independent testing, the second SVM model that used both DNA and protein sequence data showed better performance than the first model that used DNA sequence data. To the best of

  13. A sequence-based dynamic ensemble learning system for protein ligand-binding site prediction

    KAUST Repository

    Chen, Peng

    2015-12-03

    Background: Proteins have the fundamental ability to selectively bind to other molecules and perform specific functions through such interactions, such as protein-ligand binding. Accurate prediction of protein residues that physically bind to ligands is important for drug design and protein docking studies. Most of the successful protein-ligand binding predictions were based on known structures. However, structural information is not largely available in practice due to the huge gap between the number of known protein sequences and that of experimentally solved structures

  14. A sequence-based dynamic ensemble learning system for protein ligand-binding site prediction

    KAUST Repository

    Chen, Peng; Hu, ShanShan; Zhang, Jun; Gao, Xin; Li, Jinyan; Xia, Junfeng; Wang, Bing

    2015-01-01

    Background: Proteins have the fundamental ability to selectively bind to other molecules and perform specific functions through such interactions, such as protein-ligand binding. Accurate prediction of protein residues that physically bind to ligands is important for drug design and protein docking studies. Most of the successful protein-ligand binding predictions were based on known structures. However, structural information is not largely available in practice due to the huge gap between the number of known protein sequences and that of experimentally solved structures

  15. Identification of prokaryotic and eukaryotic signal peptides and prediction of their cleavage sites

    DEFF Research Database (Denmark)

    Nielsen, Henrik; Engelbrecht, Jacob; Brunak, Søren

    1997-01-01

    We have developed a new method for the identification of signal peptides and their cleavage based on neural networks trained on separate sets of prokaryotic and eukaryotic sequence. The method performs significantly better than previous prediction schemes and can easily be applied on genome...

  16. Observing mode propagation inside a laser cavity

    CSIR Research Space (South Africa)

    Naidoo, Darryl

    2012-05-01

    Full Text Available components, to study the forward and backward propagating waves everywhere inside a laser cavity. We verify the previous theoretical-only prediction that the two fields may differ substantially in their amplitude profile, even for stable resonator systems, a...

  17. SVM-based prediction of propeptide cleavage sites in spider toxins identifies toxin innovation in an Australian tarantula.

    Directory of Open Access Journals (Sweden)

    Emily S W Wong

    Full Text Available Spider neurotoxins are commonly used as pharmacological tools and are a popular source of novel compounds with therapeutic and agrochemical potential. Since venom peptides are inherently toxic, the host spider must employ strategies to avoid adverse effects prior to venom use. It is partly for this reason that most spider toxins encode a protective proregion that upon enzymatic cleavage is excised from the mature peptide. In order to identify the mature toxin sequence directly from toxin transcripts, without resorting to protein sequencing, the propeptide cleavage site in the toxin precursor must be predicted bioinformatically. We evaluated different machine learning strategies (support vector machines, hidden Markov model and decision tree and developed an algorithm (SpiderP for prediction of propeptide cleavage sites in spider toxins. Our strategy uses a support vector machine (SVM framework that combines both local and global sequence information. Our method is superior or comparable to current tools for prediction of propeptide sequences in spider toxins. Evaluation of the SVM method on an independent test set of known toxin sequences yielded 96% sensitivity and 100% specificity. Furthermore, we sequenced five novel peptides (not used to train the final predictor from the venom of the Australian tarantula Selenotypus plumipes to test the accuracy of the predictor and found 80% sensitivity and 99.6% 8-mer specificity. Finally, we used the predictor together with homology information to predict and characterize seven groups of novel toxins from the deeply sequenced venom gland transcriptome of S. plumipes, which revealed structural complexity and innovations in the evolution of the toxins. The precursor prediction tool (SpiderP is freely available on ArachnoServer (http://www.arachnoserver.org/spiderP.html, a web portal to a comprehensive relational database of spider toxins. All training data, test data, and scripts used are available from

  18. Predicting local distributions of erosion-corrosion wear sites for the piping in the nuclear power plant using CFD models

    International Nuclear Information System (INIS)

    Ferng, Y.M.

    2008-01-01

    The erosion-corrosion (E/C) wear is an essential degradation mechanism for the piping in the nuclear power plant, which results in the oxide mass loss from the inside of piping, the wall thinning, and even the pipe break. The pipe break induced by the E/C wear may cause costly plant repairs and personal injures. The measurement of pipe wall thickness is a useful tool for the power plant to prevent this incident. In this paper, CFD models are proposed to predict the local distributions of E/C wear sites, which include both the two-phase hydrodynamic model and the E/C models. The impacts of centrifugal and gravitational forces on the liquid droplet behaviors within the piping can be reasonably captured by the two-phase model. Coupled with these calculated flow characteristics, the E/C models can predicted the wear site distributions that show satisfactory agreement with the plant measurements. Therefore, the models proposed herein can assist in the pipe wall monitoring program for the nuclear power plant by way of concentrating the measuring point on the possible sites of severe E/C wear for the piping and reducing the measurement labor works

  19. Determination of the strain generated in InAs/InP quantum wires: prediction of nucleation sites

    International Nuclear Information System (INIS)

    Molina, S I; Ben, T; Sales, D L; Pizarro, J; Galindo, P L; Varela, M; Pennycook, S J; Fuster, D; Gonzalez, Y; Gonzalez, L

    2006-01-01

    The compositional distribution in a self-assembled InAs(P) quantum wire grown by molecular beam epitaxy on an InP(001) substrate has been determined by electron energy loss spectrum imaging. We have determined the strain and stress fields generated in and around this wire capped with a 5 nm InP layer by finite element calculations using as input the compositional map experimentally obtained. Preferential sites for nucleation of wires grown on the surface of this InP capping layer are predicted, based on chemical potential minimization, from the determined strain and stress fields on this surface. The determined preferential sites for wire nucleation agree with their experimentally measured locations. The method used in this paper, which combines electron energy loss spectroscopy, high-resolution Z contrast imaging, and elastic theory finite element calculations, is believed to be a valuable technique of wide applicability for predicting the preferential nucleation sites of epitaxial self-assembled nano-objects

  20. Determination of the strain generated in InAs/InP quantum wires: prediction of nucleation sites

    Energy Technology Data Exchange (ETDEWEB)

    Molina, S I [Departamento de Ciencia de los Materiales e I.M. y Q.I., Facultad de Ciencias, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Ben, T [Departamento de Ciencia de los Materiales e I.M. y Q.I., Facultad de Ciencias, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Sales, D L [Departamento de Ciencia de los Materiales e I.M. y Q.I., Facultad de Ciencias, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Pizarro, J [Departamento de Lenguajes y Sistemas Informaticos, CASEM, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Galindo, P L [Departamento de Lenguajes y Sistemas Informaticos, CASEM, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Varela, M [Condensed Matter Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Pennycook, S J [Condensed Matter Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Fuster, D [Instituto de Microelectronica de Madrid (CNM, CSIC), Isaac Newton 8, 28760 Tres Cantos, Madrid (Spain); Gonzalez, Y [Instituto de Microelectronica de Madrid (CNM, CSIC), Isaac Newton 8, 28760 Tres Cantos, Madrid (Spain); Gonzalez, L [Instituto de Microelectronica de Madrid (CNM, CSIC), Isaac Newton 8, 28760 Tres Cantos, Madrid (Spain)

    2006-11-28

    The compositional distribution in a self-assembled InAs(P) quantum wire grown by molecular beam epitaxy on an InP(001) substrate has been determined by electron energy loss spectrum imaging. We have determined the strain and stress fields generated in and around this wire capped with a 5 nm InP layer by finite element calculations using as input the compositional map experimentally obtained. Preferential sites for nucleation of wires grown on the surface of this InP capping layer are predicted, based on chemical potential minimization, from the determined strain and stress fields on this surface. The determined preferential sites for wire nucleation agree with their experimentally measured locations. The method used in this paper, which combines electron energy loss spectroscopy, high-resolution Z contrast imaging, and elastic theory finite element calculations, is believed to be a valuable technique of wide applicability for predicting the preferential nucleation sites of epitaxial self-assembled nano-objects.

  1. Thermal Protection System Cavity Heating for Simplified and Actual Geometries Using Computational Fluid Dynamics Simulations with Unstructured Grids

    Science.gov (United States)

    McCloud, Peter L.

    2010-01-01

    Thermal Protection System (TPS) Cavity Heating is predicted using Computational Fluid Dynamics (CFD) on unstructured grids for both simplified cavities and actual cavity geometries. Validation was performed using comparisons to wind tunnel experimental results and CFD predictions using structured grids. Full-scale predictions were made for simplified and actual geometry configurations on the Space Shuttle Orbiter in a mission support timeframe.

  2. The Predicting Model of E-commerce Site Based on the Ideas of Curve Fitting

    Science.gov (United States)

    Tao, Zhang; Li, Zhang; Dingjun, Chen

    On the basis of the idea of the second multiplication curve fitting, the number and scale of Chinese E-commerce site is analyzed. A preventing increase model is introduced in this paper, and the model parameters are solved by the software of Matlab. The validity of the preventing increase model is confirmed though the numerical experiment. The experimental results show that the precision of preventing increase model is ideal.

  3. Skin sites to predict deep-body temperature while wearing firefighters' personal protective equipment during periodical changes in air temperature.

    Science.gov (United States)

    Kim, Siyeon; Lee, Joo-Young

    2016-04-01

    The aim of this study was to investigate stable and valid measurement sites of skin temperatures as a non-invasive variable to predict deep-body temperature while wearing firefighters' personal protective equipment (PPE) during air temperature changes. Eight male firefighters participated in an experiment which consisted of 60-min exercise and 10-min recovery while wearing PPE without self-contained breathing apparatus (7.75 kg in total PPE mass). Air temperature was periodically fluctuated from 29.5 to 35.5 °C with an amplitude of 6 °C. Rectal temperature was chosen as a deep-body temperature, and 12 skin temperatures were recorded. The results showed that the forehead and chest were identified as the most valid sites to predict rectal temperature (R(2) = 0.826 and 0.824, respectively) in an environment with periodically fluctuated air temperatures. This study suggests that particular skin temperatures are valid as a non-invasive variable when predicting rectal temperature of an individual wearing PPE in changing ambient temperatures. Practitioner Summary: This study should offer assistance for developing a more reliable indirect indicating system of individual heat strain for firefighters in real time, which can be used practically as a precaution of firefighters' heat-related illness and utilised along with physiological monitoring.

  4. Predicting long-term moisture contents of earthen covers at uranium mill tailings sites

    International Nuclear Information System (INIS)

    Gee, G.W.; Nielson, K.K.; Rogers, V.C.

    1984-09-01

    The three methods for long-term moisture prediction covered in this report are: estimates from water retention (permanent wilting point) data, correlation with climate and soil type, and detailed model simulation. The test results have shown: soils vary greatly in residual moisture. Expected long-term moisture saturation ratios (based on generalized soil characteristics) range from 0.2 to 0.8 for soils ranging in texture from sand to clay, respectively. These values hold for noncompacted field soils. Measured radon diffusion coefficients for soils at 15-bar water contents ranged from 5.0E-2 cm 2 /s to 5.0E-3 cm 2 /s for sands and clays, respectively, at typical field densities. In contrast, fine-textured pit-run earthen materials, subjected to optimum compaction (>85% Proctor density) and dried to the 15-bar water content, ranged from 0.7 to 0.9 moisture saturation. Compacted pit-run soils at these moisture contents exhibited radon diffusion coefficients as low as 3.0E-4 cm 2 /s. The residual moisture saturation for cover soils is not known since no engineered barrier has been in place for more than a few years. A comparison of methods for predicting moisture saturation indicates that model simulations are useful for predicting effects of climatic changes on residual soil moisture, but that long-term moisture also can be predicted with some degree of confidence using generalized soil properties or empirical correlations based both on soils and climatic information. The optimal soil cover design will likely include more than one layer of soil. A two-layer system using a thick (1-m minimum) plant root zone of uncompacted soil placed over a moistened, tightly compacted fine-textured soil is recommended. This design concept has been tested successfully at the Grand Junction, Colorado, tailings piles

  5. Prominence mass supply and the cavity

    Energy Technology Data Exchange (ETDEWEB)

    Schmit, Donald J.; Innes, D. [Max Planck Institute for Solar System Research, D-37191 Katlenburg-Lindau (Germany); Gibson, S. [High Altitude Observatory, National Center for Atmospheric Research, Boulder, CO 80307 (United States); Luna, M. [Instituto de Astrofísica de Canarias, E-38200 La Laguna, Tenerife (Spain); Karpen, J. [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

    2013-12-20

    A prevalent but untested paradigm is often used to describe the prominence-cavity system: the cavity is under-dense because it is evacuated by supplying mass to the condensed prominence. The thermal non-equilibrium (TNE) model of prominence formation offers a theoretical framework to predict the thermodynamic evolution of the prominence and the surrounding corona. We examine the evidence for a prominence-cavity connection by comparing the TNE model with diagnostics of dynamic extreme ultraviolet (EUV) emission surrounding the prominence, specifically prominence horns. Horns are correlated extensions of prominence plasma and coronal plasma which appear to connect the prominence and cavity. The TNE model predicts that large-scale brightenings will occur in the Solar Dynamics Observatory Atmospheric Imaging Assembly 171 Å bandpass near the prominence that are associated with the cooling phase of condensation formation. In our simulations, variations in the magnitude of footpoint heating lead to variations in the duration, spatial scale, and temporal offset between emission enhancements in the other EUV bandpasses. While these predictions match well a subset of the horn observations, the range of variations in the observed structures is not captured by the model. We discuss the implications of our one-dimensional loop simulations for the three-dimensional time-averaged equilibrium in the prominence and the cavity. Evidence suggests that horns are likely caused by condensing prominence plasma, but the larger question of whether this process produces a density-depleted cavity requires a more tightly constrained model of heating and better knowledge of the associated magnetic structure.

  6. Prominence Mass Supply and the Cavity

    Science.gov (United States)

    Schmit, Donald J.; Gibson, S.; Luna, M.; Karpen, J.; Innes, D.

    2013-01-01

    A prevalent but untested paradigm is often used to describe the prominence-cavity system; the cavity is under-dense because it it evacuated by supplying mass to the condensed prominence. The thermal non-equilibrium (TNE) model of prominence formation offers a theoretical framework to predict the thermodynamic evolutin of the prominence and the surrounding corona. We examine the evidence for a prominence-cavity connection by comparing the TNE model and diagnostics of dynamic extreme ultraviolet (EUV) emission surrounding the prominence, specifically prominence horns. Horns are correlated extensions of prminence plasma and coronal plasma which appear to connect the prominence and cavity. The TNE model predicts that large-scale brightenings will occur in the Solar Dynamics Observatory Atmospheric Imaging Assembly 171 A badpass near he prominence that are associated with the cooling phase of condensation formation. In our simulations, variations in the magnitude of footpoint heating lead to variations in the duration, spatial scale, and temporal offset between emission enhancements in the other EUV bandpasses. While these predictions match well a subset of the horn observations, the range of variations in the observed structures is not captured by the model. We discuss the implications of one-dimensional loop simulations for the three-dimensional time-averaged equilibrium in the prominence and the cavity. Evidence suggests that horns are likely caused by condensing prominence plasma, but the larger question of whether this process produces a density-depleted cavity requires a more tightly constrained model of heating and better knowledge of the associated magnetic structure.

  7. Vacuum field energy and spontaneous emission in anomalously dispersive cavities

    International Nuclear Information System (INIS)

    Bradshaw, Douglas H.; Di Rosa, Michael D.

    2011-01-01

    Anomalously dispersive cavities, particularly white-light cavities, may have larger bandwidth to finesse ratios than their normally dispersive counterparts. Partly for this reason, they have been proposed for use in laser interferometer gravitational-wave observatory (LIGO)-like gravity-wave detectors and in ring-laser gyroscopes. In this paper we analyze the quantum noise associated with anomalously dispersive cavity modes. The vacuum field energy associated with a particular cavity mode is proportional to the cavity-averaged group velocity of that mode. For anomalously dispersive cavities with group index values between 1 and 0, this means that the total vacuum field energy associated with a particular cavity mode must exceed (ℎ/2π)ω/2. For white-light cavities in particular, the group index approaches zero and the vacuum field energy of a particular spatial mode may be significantly enhanced. We predict enhanced spontaneous emission rates into anomalously dispersive cavity modes and broadened laser linewidths when the linewidth of intracavity emitters is broader than the cavity linewidth.

  8. Cavity parameters identification for TESLA control system development

    Energy Technology Data Exchange (ETDEWEB)

    Czarski, T.; Pozniak, K.T.; Romaniuk, R.S. [Warsaw Univ. of Technology (Poland). ELHEP Lab., ISE; Simrock, S. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

    2005-07-01

    The control system modeling for the TESLA - TeV-Energy Superconducting Linear Accelerator project has been developed for the efficient stabilization of the pulsed, accelerating EM field of the resonator. The cavity parameters identification is an essential task for the comprehensive control algorithm. The TESLA cavity simulator has been successfully implemented by applying very high speed FPGA - Field Programmable Gate Array technology. The electromechanical model of the cavity resonator includes the basic features - Lorentz force detuning and beam loading. The parameters identification bases on the electrical model of the cavity. The model is represented by the state space equation for the envelope of the cavity voltage driven by the current generator and the beam loading. For a given model structure, the over-determined matrix equation is created covering the long enough measurement range with the solution according to the least squares method. A low degree polynomial approximation is applied to estimate the time-varying cavity detuning during the pulse. The measurement channel distortion is considered, leading to the external cavity model seen by the controller. The comprehensive algorithm of the cavity parameters identification has been implemented in the Matlab system with different modes of the operation. Some experimental results have been presented for different cavity operational conditions. The following considerations have lead to the synthesis of the efficient algorithm for the cavity control system predicted for the potential FPGA technology implementation. (orig.)

  9. Cavity parameters identification for TESLA control system development

    International Nuclear Information System (INIS)

    Czarski, T.; Pozniak, K.T.; Romaniuk, R.S.

    2005-01-01

    The control system modeling for the TESLA - TeV-Energy Superconducting Linear Accelerator project has been developed for the efficient stabilization of the pulsed, accelerating EM field of the resonator. The cavity parameters identification is an essential task for the comprehensive control algorithm. The TESLA cavity simulator has been successfully implemented by applying very high speed FPGA - Field Programmable Gate Array technology. The electromechanical model of the cavity resonator includes the basic features - Lorentz force detuning and beam loading. The parameters identification bases on the electrical model of the cavity. The model is represented by the state space equation for the envelope of the cavity voltage driven by the current generator and the beam loading. For a given model structure, the over-determined matrix equation is created covering the long enough measurement range with the solution according to the least squares method. A low degree polynomial approximation is applied to estimate the time-varying cavity detuning during the pulse. The measurement channel distortion is considered, leading to the external cavity model seen by the controller. The comprehensive algorithm of the cavity parameters identification has been implemented in the Matlab system with different modes of the operation. Some experimental results have been presented for different cavity operational conditions. The following considerations have lead to the synthesis of the efficient algorithm for the cavity control system predicted for the potential FPGA technology implementation. (orig.)

  10. Deep subsurface structure modeling and site amplification factor estimation in Niigata plain for broadband strong motion prediction

    International Nuclear Information System (INIS)

    Sato, Hiroaki

    2009-01-01

    This report addresses a methodology of deep subsurface structure modeling in Niigata plain, Japan to estimate site amplification factor in the broadband frequency range for broadband strong motion prediction. In order to investigate deep S-wave velocity structures, we conduct microtremor array measurements at nine sites in Niigata plain, which are important to estimate both long- and short-period ground motion. The estimated depths of the top of the basement layer agree well with those of the Green tuff formation as well as the Bouguer anomaly distribution. Dispersion characteristics derived from the observed long-period ground motion records are well explained by the theoretical dispersion curves of Love wave group velocities calculated from the estimated subsurface structures. These results demonstrate the deep subsurface structures from microtremor array measurements make it possible to estimate long-period ground motions in Niigata plain. Moreover an applicability of microtremor array exploration for inclined basement structure like a folding structure is shown from the two dimensional finite difference numerical simulations. The short-period site amplification factors in Niigata plain are empirically estimated by the spectral inversion analysis from S-wave parts of strong motion data. The resultant characteristics of site amplification are relative large in the frequency range of about 1.5-5 Hz, and decay significantly with the frequency increasing over about 5 Hz. However, these features can't be explained by the calculations from the deep subsurface structures. The estimation of site amplification factors in the frequency range of about 1.5-5 Hz are improved by introducing a shallow detailed structure down to GL-20m depth at a site. We also propose to consider random fluctuation in a modeling of deep S-wave velocity structure for broadband site amplification factor estimation. The Site amplification in the frequency range higher than about 5 Hz are filtered

  11. Video Toroid Cavity Imager

    Energy Technology Data Exchange (ETDEWEB)

    Gerald, Rex E. II; Sanchez, Jairo; Rathke, Jerome W.

    2004-08-10

    A video toroid cavity imager for in situ measurement of electrochemical properties of an electrolytic material sample includes a cylindrical toroid cavity resonator containing the sample and employs NMR and video imaging for providing high-resolution spectral and visual information of molecular characteristics of the sample on a real-time basis. A large magnetic field is applied to the sample under controlled temperature and pressure conditions to simultaneously provide NMR spectroscopy and video imaging capabilities for investigating electrochemical transformations of materials or the evolution of long-range molecular aggregation during cooling of hydrocarbon melts. The video toroid cavity imager includes a miniature commercial video camera with an adjustable lens, a modified compression coin cell imager with a fiat circular principal detector element, and a sample mounted on a transparent circular glass disk, and provides NMR information as well as a video image of a sample, such as a polymer film, with micrometer resolution.

  12. Metasurface external cavity laser

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Luyao, E-mail: luyaoxu.ee@ucla.edu; Curwen, Christopher A.; Williams, Benjamin S. [Department of Electrical Engineering, University of California, Los Angeles, California 90095 (United States); California NanoSystems Institute, University of California, Los Angeles, California 90095 (United States); Hon, Philip W. C.; Itoh, Tatsuo [Department of Electrical Engineering, University of California, Los Angeles, California 90095 (United States); Chen, Qi-Sheng [Northrop Grumman Aerospace Systems, Redondo Beach, California 90278 (United States)

    2015-11-30

    A vertical-external-cavity surface-emitting-laser is demonstrated in the terahertz range, which is based upon an amplifying metasurface reflector composed of a sub-wavelength array of antenna-coupled quantum-cascade sub-cavities. Lasing is possible when the metasurface reflector is placed into a low-loss external cavity such that the external cavity—not the sub-cavities—determines the beam properties. A near-Gaussian beam of 4.3° × 5.1° divergence is observed and an output power level >5 mW is achieved. The polarized response of the metasurface allows the use of a wire-grid polarizer as an output coupler that is continuously tunable.

  13. Does the site of platelet sequestration predict the response to splenectomy in adult patients with immune thrombocytopenic purpura?

    Science.gov (United States)

    Navez, Julie; Hubert, Catherine; Gigot, Jean-François; Navez, Benoit; Lambert, Catherine; Jamar, François; Danse, Etienne; Lannoy, Valérie; Jabbour, Nicolas

    2015-01-01

    Splenectomy is the only potentially curative treatment for chronic immune thrombocytopenic purpura (ITP) in adults. However, one-third of the patients relapse without predictive factors identified. We evaluate the predictive value of the site of platelet sequestration on the response to splenectomy in patients with ITP. Eighty-two consecutive patients with ITP treated by splenectomy between 1992 and 2013 were retrospectively reviewed. Platelet sequestration site was studied by (111)Indium-oxinate-labeled platelets in 93% of patients. Response to splenectomy was defined at last follow-up as: complete response (CR) for platelet count (PC) ≥100 × 10(9)/L, response (R) for PC≥30 × 10(9)/L and splenectomy was performed in 81 patients (conversion rate of 16%), and open approach in one patient. Median follow-up was 57 months (range, 1-235). Platelet sequestration study was performed in 93% of patients: 50 patients (61%) exhibited splenic sequestration, 9 (11%) hepatic sequestration and 14 patients (17%) mixed sequestration. CR was obtained in 72% of patients, R in 25% and NR in 4% (two with splenic sequestration, one with hepatic sequestration). Preoperative PC, age at diagnosis, hepatic sequestration and male gender were significant for predicting CR in univariate analysis, but only age (HR = 1.025 by one-year increase, 95% CI [1.004-1.047], p = 0.020) and pre-operative PC (HR = 0.112 for > 100 versus splenectomy was independent of the site of platelet sequestration in patients with ITP. Pre-operative platelet sequestration study in these patients cannot be recommended.

  14. Earth-ionosphere cavity

    International Nuclear Information System (INIS)

    Tran, A.; Polk, C.

    1976-01-01

    To analyze ELF wave propagation in the earth-ionosphere cavity, a flat earth approximation may be derived from the exact equations, which are applicable to the spherical cavity, by introducing a second-order or Debye approximation for the spherical Hankel functions. In the frequency range 3 to 30 Hz, however, the assumed conditions for the Debye approximation are not satisfied. For this reason an exact evaluation of the spherical Hankel functions is used to study the effects of the flat earth approximation on various propagation and resonance parameters. By comparing the resonance equation for a spherical cavity with its flat earth counterpart and by assuming that the surface impedance Z/sub i/ at the upper cavity boundary is known, the relation between the eigenvalue ν and S/sub v/, the sine of the complex angle of incidence at the lower ionosphere boundary, is established as ν(ν + 1) = (kaS/sub v/) 2 . It is also shown that the approximation ν(ν + 1) approximately equals (ν + 1/2) 2 which was used by some authors is not adequate below 30 Hz. Numerical results for both spherical and planar stratification show that (1) planar stratification is adequate for the computation of the lowest three ELF resonance frequencies to within 0.1 Hz; (2) planar stratification will lead to errors in cavity Q and wave attenuation which increase with frequency; (3) computation of resonance frequencies to within 0.1 Hz requires the extension of the lower boundary of the ionosphere to a height where the ratio of conduction current to displacement current, (sigma/ωepsilon 0 ), is less than 0.3; (4) atmospheric conductivity should be considered down to ground level in computing cavity Q and wave attenuation

  15. Nonlinear Analysis of Cavities in Rock Salt

    DEFF Research Database (Denmark)

    Ottosen, N. S.; Krenk, Steen

    1979-01-01

    The paper covers some material and computational aspects of the rock mechanics of leached cavities in salt. A material model is presented in which the instantaneous stiffness of the salt is obtained by interpolation between the unloaded state and a relevant failure state. The model enables predic...... prediction of short term triaxial behaviour from uniaxial stress-strain curves. Key results from a nonlinear finite element calculation of a gas-filled cavity are given, and the general features are related to a simple nonlinear method of stress evaluation....

  16. Short-cavity squeezing in barium

    Science.gov (United States)

    Hope, D. M.; Bachor, H-A.; Manson, P. J.; Mcclelland, D. E.

    1992-01-01

    Broadband phase sensitive noise and squeezing were experimentally observed in a system of barium atoms interacting with a single mode of a short optical cavity. Squeezing of 13 +/- 3 percent was observed. A maximum possible squeezing of 45 +/- 8 percent could be inferred for out experimental conditions, after correction for measured loss factors. Noise reductions below the quantum limit were found over a range of detection frequencies 60-170 MHz and were best for high cavity transmission and large optical depths. The amount of squeezing observed is consistent with theoretical predictions from a full quantum statistical model of the system.

  17. [Prediction of 137Cs behaviour in the soil-plant system in the territory of Semipalatinsk test site].

    Science.gov (United States)

    Spiridonov, S I; Mukusheva, M K; Gontarenko, I A; Fesenko, S V; Baranov, S A

    2005-01-01

    A mathematical model of 137Cs behaviour in the soil-plant system is presented. The model has been parameterized for the area adjacent to the testing area Ground Zero of the Semipalatinsk Test Site. The model describes the main processes responsible for the changes in 137Cs content in the soil solution and, thereby, dynamics of the radionuclide uptake by vegetation. The results are taken from predictive and retrospective calculations that reflect the dynamics of 137Cs distribution by species in soil after nuclear explosions. The importance of factors governing 137Cs accumulation in plants within the STS area is assessed. The analysis of sensitivity of the output model variable to changes in its parameters revealed that the key soil properties significantly influence the results of prediction of 137Cs content in plants.

  18. Materials for superconducting cavities

    International Nuclear Information System (INIS)

    Bonin, B.

    1996-01-01

    The ideal material for superconducting cavities should exhibit a high critical temperature, a high critical field, and, above all, a low surface resistance. Unfortunately, these requirements can be conflicting and a compromise has to be found. To date, most superconducting cavities for accelerators are made of niobium. The reasons for this choice are discussed. Thin films of other materials such as NbN, Nb 3 Sn, or even YBCO compounds can also be envisaged and are presently investigated in various laboratories. It is shown that their success will depend critically on the crystalline perfection of these films. (author)

  19. Experimental investigation of cavity flows

    Energy Technology Data Exchange (ETDEWEB)

    Loeland, Tore

    1999-12-31

    This thesis uses LDV (Laser Doppler Velocimetry), PIV (Particle Image Velocimetry) and Laser Sheet flow Visualisation to study flow inside three different cavity configurations. For sloping cavities, the vortex structure inside the cavities is found to depend upon the flow direction past the cavity. The shape of the downstream corner is a key factor in destroying the boundary layer flow entering the cavity. The experimental results agree well with numerical simulations of the same geometrical configurations. The results of the investigations are used to find the influence of the cavity flow on the accuracy of the ultrasonic flowmeter. A method to compensate for the cavity velocities is suggested. It is found that the relative deviation caused by the cavity velocities depend linearly on the pipe flow. It appears that the flow inside the cavities should not be neglected as done in the draft for the ISO technical report on ultrasonic flowmeters. 58 refs., 147 figs., 2 tabs.

  20. Experimental investigation of cavity flows

    Energy Technology Data Exchange (ETDEWEB)

    Loeland, Tore

    1998-12-31

    This thesis uses LDV (Laser Doppler Velocimetry), PIV (Particle Image Velocimetry) and Laser Sheet flow Visualisation to study flow inside three different cavity configurations. For sloping cavities, the vortex structure inside the cavities is found to depend upon the flow direction past the cavity. The shape of the downstream corner is a key factor in destroying the boundary layer flow entering the cavity. The experimental results agree well with numerical simulations of the same geometrical configurations. The results of the investigations are used to find the influence of the cavity flow on the accuracy of the ultrasonic flowmeter. A method to compensate for the cavity velocities is suggested. It is found that the relative deviation caused by the cavity velocities depend linearly on the pipe flow. It appears that the flow inside the cavities should not be neglected as done in the draft for the ISO technical report on ultrasonic flowmeters. 58 refs., 147 figs., 2 tabs.

  1. Predicting protein-ATP binding sites from primary sequence through fusing bi-profile sampling of multi-view features

    Directory of Open Access Journals (Sweden)

    Zhang Ya-Nan

    2012-05-01

    Full Text Available Abstract Background Adenosine-5′-triphosphate (ATP is one of multifunctional nucleotides and plays an important role in cell biology as a coenzyme interacting with proteins. Revealing the binding sites between protein and ATP is significantly important to understand the functionality of the proteins and the mechanisms of protein-ATP complex. Results In this paper, we propose a novel framework for predicting the proteins’ functional residues, through which they can bind with ATP molecules. The new prediction protocol is achieved by combination of sequence evolutional information and bi-profile sampling of multi-view sequential features and the sequence derived structural features. The hypothesis for this strategy is single-view feature can only represent partial target’s knowledge and multiple sources of descriptors can be complementary. Conclusions Prediction performances evaluated by both 5-fold and leave-one-out jackknife cross-validation tests on two benchmark datasets consisting of 168 and 227 non-homologous ATP binding proteins respectively demonstrate the efficacy of the proposed protocol. Our experimental results also reveal that the residue structural characteristics of real protein-ATP binding sites are significant different from those normal ones, for example the binding residues do not show high solvent accessibility propensities, and the bindings prefer to occur at the conjoint points between different secondary structure segments. Furthermore, results also show that performance is affected by the imbalanced training datasets by testing multiple ratios between positive and negative samples in the experiments. Increasing the dataset scale is also demonstrated useful for improving the prediction performances.

  2. Hybrid model predictive control of a residential HVAC system with on-site thermal energy generation and storage

    International Nuclear Information System (INIS)

    Fiorentini, Massimo; Wall, Josh; Ma, Zhenjun; Braslavsky, Julio H.; Cooper, Paul

    2017-01-01

    Highlights: • A comprehensive approach to managing thermal energy in residential buildings. • Solar-assisted HVAC system with on-site energy generation and storage. • Mixed logic-dynamical building model identified using experimental data. • Design and implementation of a logic-dynamical model predictive control strategy. • MPC applied to the Net-Zero Energy house winner of the Solar Decathlon China 2013. - Abstract: This paper describes the development, implementation and experimental investigation of a Hybrid Model Predictive Control (HMPC) strategy to control solar-assisted heating, ventilation and air-conditioning (HVAC) systems with on-site thermal energy generation and storage. A comprehensive approach to the thermal energy management of a residential building is presented to optimise the scheduling of the available thermal energy resources to meet a comfort objective. The system has a hybrid nature with both continuous variables and discrete, logic-driven operating modes. The proposed control strategy is organized in two hierarchical levels. At the high-level, an HMPC controller with a 24-h prediction horizon and a 1-h control step is used to select the operating mode of the HVAC system. At the low-level, each operating mode is optimised using a 1-h rolling prediction horizon with a 5-min control step. The proposed control strategy has been practically implemented on the Building Management and Control System (BMCS) of a Net Zero-Energy Solar Decathlon house. This house features a sophisticated HVAC system comprising of an air-based photovoltaic thermal (PVT) collector and a phase change material (PCM) thermal storage integrated with the air-handling unit (AHU) of a ducted reverse-cycle heat pump system. The simulation and experimental results demonstrated the high performance achievable using an HMPC approach to optimising complex multimode HVAC systems in residential buildings, illustrating efficient selection of the appropriate operating modes

  3. Tree mycorrhizal type predicts within-site variability in the storage and distribution of soil organic matter.

    Science.gov (United States)

    Craig, Matthew E; Turner, Benjamin L; Liang, Chao; Clay, Keith; Johnson, Daniel J; Phillips, Richard P

    2018-03-24

    Forest soils store large amounts of carbon (C) and nitrogen (N), yet how predicted shifts in forest composition will impact long-term C and N persistence remains poorly understood. A recent hypothesis predicts that soils under trees associated with arbuscular mycorrhizas (AM) store less C than soils dominated by trees associated with ectomycorrhizas (ECM), due to slower decomposition in ECM-dominated forests. However, an incipient hypothesis predicts that systems with rapid decomposition-e.g. most AM-dominated forests-enhance soil organic matter (SOM) stabilization by accelerating the production of microbial residues. To address these contrasting predictions, we quantified soil C and N to 1 m depth across gradients of ECM-dominance in three temperate forests. By focusing on sites where AM- and ECM-plants co-occur, our analysis controls for climatic factors that covary with mycorrhizal dominance across broad scales. We found that while ECM stands contain more SOM in topsoil, AM stands contain more SOM when subsoil to 1 m depth is included. Biomarkers and soil fractionations reveal that these patterns are driven by an accumulation of microbial residues in AM-dominated soils. Collectively, our results support emerging theory on SOM formation, demonstrate the importance of subsurface soils in mediating plant effects on soil C and N, and indicate that shifts in the mycorrhizal composition of temperate forests may alter the stabilization of SOM. © 2018 John Wiley & Sons Ltd.

  4. Wall compliance and violin cavity modes.

    Science.gov (United States)

    Bissinger, George

    2003-03-01

    Violin corpus wall compliance, which has a substantial effect on cavity mode frequencies, was added to Shaw's two-degree-of-freedom (2DOF) network model for A0 ("main air") and A1 (lowest length mode included in "main wood") cavity modes. The 2DOF model predicts a V(-0.25) volume dependence for A0 for rigid violin-shaped cavities, to which a semiempirical compliance correction term, V(-x(c)) (optimization parameter x(c)) consistent with cavity acoustical compliance and violin-based scaling was added. Optimizing x(c) over A0 and A1 frequencies measured for a Hutchins-Schelleng violin octet yielded x(c) approximately 0.08. This markedly improved A0 and A1 frequency predictions to within approximately +/- 10% of experiment over a range of about 4.5:1 in length, 10:1 in f-hole area, 3:1 in top plate thickness, and 128:1 in volume. Compliance is a plausible explanation for A1 falling close to the "main wood" resonance, not increasingly higher for the larger instruments, which were scaled successively shorter compared to the violin for ergonomic and practical reasons. Similarly incorporating compliance for A2 and A4 (lowest lower-/upper-bout modes, respectively) improves frequency predictions within +/-20% over the octet.

  5. Cavity-nesting bird abundance in thinned versus unthinned Massachusetts oak stands

    Science.gov (United States)

    Christopher J.E. Welsh; William M. Healy; Richard M. DeGraaf

    1992-01-01

    Cavity-nesting birds provide significant benefits to forest communities, but timber management techniques may negatively affect cavity-nesting species by reducing the availability of suitable nest and foraging sites. We surveyed cavity-nesting birds from transects in eight Massachusetts oak stands to examine the effect of thinning with retention of snag and wildlife...

  6. Primary radical ablative surgery and fibula free-flap reconstruction for T4 oral cavity squamous cell carcinoma with mandibular invasion: oncologic and functional results and their predictive factors.

    Science.gov (United States)

    Camuzard, Olivier; Dassonville, Olivier; Ettaiche, Marc; Chamorey, Emmanuel; Poissonnet, Gilles; Berguiga, Riadh; Leysalle, Axel; Benezery, Karen; Peyrade, Frédéric; Saada, Esma; Hechema, Raphael; Sudaka, Anne; Haudebourg, Juliette; Demard, François; Santini, José; Bozec, Alexandre

    2017-01-01

    The aims of this study were to evaluate clinical outcomes and to determine their predictive factors in patients with oral cavity squamous cell carcinoma (OCSCC) invading the mandibular bone (T4) who underwent primary radical surgery and fibula free-flap reconstruction. Between 2001 and 2013, all patients who underwent primary surgery and mandibular fibula free-flap reconstruction for OCSCC were enrolled in this retrospective study. Predictive factors of oncologic and functional outcomes were assessed in univariate and multivariate analysis. 77 patients (55 men and 22 women, mean age 62 ± 10.6 years) were enrolled in this study. Free-flap failure and local and general complication rates were 9, 31, and 22 %, respectively. In multivariate analysis, ASA score (p = 0.002), pathologic N-stage (p = 0.01), and close surgical margins (p = 0.03) were independent predictors of overall survival. Six months after therapy, oral diet, speech intelligibility, and mouth opening functions were normal or slightly impaired in, respectively, 79, 88, and 83 % of patients. 6.5 % of patients remaining dependent on enteral nutrition 6 months after therapy. With acceptable postoperative outcomes and satisfactory oncologic and functional results, segmental mandibulectomy with fibula free-flap reconstruction should be considered the gold standard primary treatment for patients with OCSCC invading mandible bone. Oncologic outcomes are dependent on three main factors: ASA score, pathologic N-stage, and surgical margin status.

  7. The use of microperforated plates to attenuate cavity resonances

    DEFF Research Database (Denmark)

    Fenech, Benjamin; Keith, Graeme; Jacobsen, Finn

    2006-01-01

    The use of microperforated plates to introduce damping in a closed cavity is examined. By placing a microperforated plate well inside the cavity instead of near a wall as traditionally done in room acoustics, high attenuation can be obtained for specific acoustic modes, compared with the lower...... attenuation that can be obtained in a broad frequency range with the conventional position of the plate. An analytical method for predicting the attenuation is presented. The method involves finding complex eigenvalues and eigenfunctions for the modified cavity and makes it possible to predict Green......'s functions. The results, which are validated experimentally, show that a microperforated plate can provide substantial attenuation of modes in a cavity. One possible application of these findings is the treatment of boiler tones in heat-exchanger cavities....

  8. Predictive value of intracutaneous xenon clearance for healing of amputation and cutaneous ulcer sites

    International Nuclear Information System (INIS)

    Silberstein, E.B.; Thomas, S.; Cline, J.; Kempczinski, R.; Gottesman, L.

    1983-01-01

    A previously reported technique for the assessment of skin blood flow in the lower extremities of patients with ischemic lesions was evaluated using intracutaneous xenon clearance. The radioisotope was injected above and below both the ankle and the knee and flow was measured using a gamma camera with a low-energy collimator, 88-keV photopeak, and a 20% window. Healing was more frequent when skin blood flow was equal to or greater than 2.4 ml/min/100 g (38/39 patients) than when flow was less than 2.4 ml/min/100 g (4/7 patients). The authors conclude that this technique can be used to help determine the appropriate site for amputation in lower limb ischemic lesions

  9. Model for predicting the restoration of and ammonium migration from in situ mine sites

    International Nuclear Information System (INIS)

    Anon.

    1979-01-01

    There are many uranium deposits which are too deep, too poor in quality or too small in extent to be economically strip mined. It now appears that this uranium can be mined using in situ leaching processes. One component of the lixiviant is necessarily a cation and, during the course of mining, the ion exchange sites of the minerals in the mine zone become saturated with this cation. Ammonium is the cation now commonly used. Clearly, any restoration procedure or question involving the rate of cation migration with the groundwater all necessarily involve the process of ion exchange coupled with flow in porous media. The equations describing this process are presented in this paper and numerical solutions obtained. 16 refs

  10. Numerical Modeling Tools for the Prediction of Solution Migration Applicable to Mining Site

    International Nuclear Information System (INIS)

    Martell, M.; Vaughn, P.

    1999-01-01

    Mining has always had an important influence on cultures and traditions of communities around the globe and throughout history. Today, because mining legislation places heavy emphasis on environmental protection, there is great interest in having a comprehensive understanding of ancient mining and mining sites. Multi-disciplinary approaches (i.e., Pb isotopes as tracers) are being used to explore the distribution of metals in natural environments. Another successful approach is to model solution migration numerically. A proven method to simulate solution migration in natural rock salt has been applied to project through time for 10,000 years the system performance and solution concentrations surrounding a proposed nuclear waste repository. This capability is readily adaptable to simulate solution migration around mining

  11. AthMethPre: a web server for the prediction and query of mRNA m6A sites in Arabidopsis thaliana.

    Science.gov (United States)

    Xiang, Shunian; Yan, Zhangming; Liu, Ke; Zhang, Yaou; Sun, Zhirong

    2016-10-18

    N 6 -Methyladenosine (m 6 A) is the most prevalent and abundant modification in mRNA that has been linked to many key biological processes. High-throughput experiments have generated m 6 A-peaks across the transcriptome of A. thaliana, but the specific methylated sites were not assigned, which impedes the understanding of m 6 A functions in plants. Therefore, computational prediction of mRNA m 6 A sites becomes emergently important. Here, we present a method to predict the m 6 A sites for A. thaliana mRNA sequence(s). To predict the m 6 A sites of an mRNA sequence, we employed the support vector machine to build a classifier using the features of the positional flanking nucleotide sequence and position-independent k-mer nucleotide spectrum. Our method achieved good performance and was applied to a web server to provide service for the prediction of A. thaliana m 6 A sites. The server also provides a comprehensive database of predicted transcriptome-wide m 6 A sites and curated m 6 A-seq peaks from the literature for query and visualization. The AthMethPre web server is the first web server that provides a user-friendly tool for the prediction and query of A. thaliana mRNA m 6 A sites, which is freely accessible for public use at .

  12. Multipactors in klystron cavities

    International Nuclear Information System (INIS)

    Hayashi, Kazutaka; Iyeki, Hiroshi; Kikunaga, Toshiyuki.

    1993-01-01

    A multipactor phenomenon in a klystron causes gain shortage or instability problem. Some tests using a prototype klystron input cavity revealed the microwave discharges in vacuum with magnetic field. The test results and the methods to avoid multipactors are discussed in this paper. (author)

  13. What's a Cavity?

    Science.gov (United States)

    ... and deeper over time. Cavities are also called dental caries (say: KARE-eez), and if you have a ... made up mostly of the germs that cause tooth decay. The bacteria in your mouth make acids and when plaque clings to your teeth, the acids can eat away at the outermost ...

  14. Vertical cavity laser

    DEFF Research Database (Denmark)

    2016-01-01

    The present invention provides a vertical cavity laser comprising a grating layer comprising an in-plane grating, the grating layer having a first side and having a second side opposite the first side and comprising a contiguous core grating region having a grating structure, wherein an index...

  15. Oral cavity and jaw

    International Nuclear Information System (INIS)

    Solntsev, A.M.; Koval', G.Yu.

    1984-01-01

    Radioanatome of oral cavity and jaw is described. Diseases of the teeth, jaw, large salivary glands, temporo-mandibular articulation are considered. Roentgenograms of oral cacity and jaw of healthy people are presented and analyzed as well as roentgenograms in the above-mentioned diseases

  16. Niobium superconducting cavity

    CERN Multimedia

    CERN PhotoLab

    1980-01-01

    This 5-cell superconducting cavity, made from bulk-Nb, stems from the period of general studies, not all directed towards direct use at LEP. This one is dimensioned for 1.5 GHz, the frequency used at CEBAF and also studied at Saclay (LEP RF was 352.2 MHz). See also 7908227, 8007354, 8209255, 8210054, 8312339.

  17. Superconducting elliptical cavities

    CERN Document Server

    Sekutowicz, J K

    2011-01-01

    We give a brief overview of the history, state of the art, and future for elliptical superconducting cavities. Principles of the cell shape optimization, criteria for multi-cell structures design, HOM damping schemes and other features are discussed along with examples of superconducting structures for various applications.

  18. Additive Manufactured Superconducting Cavities

    Science.gov (United States)

    Holland, Eric; Rosen, Yaniv; Woolleet, Nathan; Materise, Nicholas; Voisin, Thomas; Wang, Morris; Mireles, Jorge; Carosi, Gianpaolo; Dubois, Jonathan

    Superconducting radio frequency cavities provide an ultra-low dissipative environment, which has enabled fundamental investigations in quantum mechanics, materials properties, and the search for new particles in and beyond the standard model. However, resonator designs are constrained by limitations in conventional machining techniques. For example, current through a seam is a limiting factor in performance for many waveguide cavities. Development of highly reproducible methods for metallic parts through additive manufacturing, referred to colloquially as 3D printing\\x9D, opens the possibility for novel cavity designs which cannot be implemented through conventional methods. We present preliminary investigations of superconducting cavities made through a selective laser melting process, which compacts a granular powder via a high-power laser according to a digitally defined geometry. Initial work suggests that assuming a loss model and numerically optimizing a geometry to minimize dissipation results in modest improvements in device performance. Furthermore, a subset of titanium alloys, particularly, a titanium, aluminum, vanadium alloy (Ti - 6Al - 4V) exhibits properties indicative of a high kinetic inductance material. This work is supported by LDRD 16-SI-004.

  19. Cavity Nesting Birds

    Science.gov (United States)

    Virgil E. Scott; Keith E. Evans; David R. Patton; Charles P. Stone

    1977-01-01

    Many species of cavity-nesting birds have declined because of habitat reduction. In the eastern United States, where primeval forests are gone, purple martins depend almost entirely on man-made nesting structures (Allen and Nice 1952). The hole-nesting population of peregrine falcons disappeared with the felling of the giant trees upon which they depended (Hickey and...

  20. LEP superconducting cavity

    CERN Multimedia

    1995-01-01

    Engineers work in a clean room on one of the superconducting cavities for the upgrade to the LEP accelerator, known as LEP-2. The use of superconductors allow higher electric fields to be produced so that higher beam energies can be reached.

  1. Open microwave cavities

    Czech Academy of Sciences Publication Activity Database

    Šeba, Petr; Rotter, I.; Mueller, M.; Persson, C.; Pichugin, Konstantin N.

    2001-01-01

    Roč. 9, - (2001), s. 484-487 ISSN 1386-9477 Institutional research plan: CEZ:A02/98:Z1-010-914 Keywords : microwave cavity * resonances Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.009, year: 2001

  2. Filling a Conical Cavity

    Science.gov (United States)

    Nye, Kyle; Eslam-Panah, Azar

    2016-11-01

    Root canal treatment involves the removal of infected tissue inside the tooth's canal system and filling the space with a dense sealing agent to prevent further infection. A good root canal treatment happens when the canals are filled homogeneously and tightly down to the root apex. Such a tooth is able to provide valuable service for an entire lifetime. However, there are some examples of poorly performed root canals where the anterior and posterior routes are not filled completely. Small packets of air can be trapped in narrow access cavities when restoring with resin composites. Such teeth can cause trouble even after many years and lead the conditions like acute bone infection or abscesses. In this study, the filling of dead-end conical cavities with various liquids is reported. The first case studies included conical cavity models with different angles and lengths to visualize the filling process. In this investigation, the rate and completeness at which a variety of liquids fill the cavity were observed to find ideal conditions for the process. Then, a 3D printed model of the scaled representation of a molar with prepared post spaces was used to simulate the root canal treatment. The results of this study can be used to gain a better understanding of the restoration for endodontically treated teeth.

  3. Tritium monitoring in groundwater and evaluation of model predictions for the Hanford Site 200 Area Effluent Treatment Facility

    International Nuclear Information System (INIS)

    Barnett, D.B.; Bergeron, M.P.; Cole, C.R.; Freshley, M.D.; Wurstner, S.K.

    1997-08-01

    The Effluent Treatment Facility (ETF) disposal site, also known as the State-Approved Land Disposal Site (SALDS), receives treated effluent containing tritium, which is allowed to infiltrate through the soil column to the water table. Tritium was first detected in groundwater monitoring wells around the facility in July 1996. The SALDS groundwater monitoring plan requires revision of a predictive groundwater model and reevaluation of the monitoring well network one year from the first detection of tritium in groundwater. This document is written primarily to satisfy these requirements and to report on analytical results for tritium in the SALDS groundwater monitoring network through April 1997. The document also recommends an approach to continued groundwater monitoring for tritium at the SALDS. Comparison of numerical groundwater models applied over the last several years indicate that earlier predictions, which show tritium from the SALDS approaching the Columbia River, were too simplified or overly robust in source assumptions. The most recent modeling indicates that concentrations of tritium above 500 pCi/L will extend, at most, no further than ∼1.5 km from the facility, using the most reasonable projections of ETF operation. This extent encompasses only the wells in the current SALDS tritium-tracking network

  4. SVM prediction of ligand-binding sites in bacterial lipoproteins employing shape and physio-chemical descriptors.

    Science.gov (United States)

    Kadam, Kiran; Prabhakar, Prashant; Jayaraman, V K

    2012-11-01

    Bacterial lipoproteins play critical roles in various physiological processes including the maintenance of pathogenicity and numbers of them are being considered as potential candidates for generating novel vaccines. In this work, we put forth an algorithm to identify and predict ligand-binding sites in bacterial lipoproteins. The method uses three types of pocket descriptors, namely fpocket descriptors, 3D Zernike descriptors and shell descriptors, and combines them with Support Vector Machine (SVM) method for the classification. The three types of descriptors represent shape-based properties of the pocket as well as its local physio-chemical features. All three types of descriptors, along with their hybrid combinations are evaluated with SVM and to improve classification performance, WEKA-InfoGain feature selection is applied. Results obtained in the study show that the classifier successfully differentiates between ligand-binding and non-binding pockets. For the combination of three types of descriptors, 10 fold cross-validation accuracy of 86.83% is obtained for training while the selected model achieved test Matthews Correlation Coefficient (MCC) of 0.534. Individually or in combination with new and existing methods, our model can be a very useful tool for the prediction of potential ligand-binding sites in bacterial lipoproteins.

  5. Prediction of conserved sites and domains in glycoproteins B, C and D of herpes viruses.

    Science.gov (United States)

    Rasheed, Muhammad Asif; Ansari, Abdur Rahman; Ihsan, Awais; Navid, Muhammad Tariq; Ur-Rehman, Shahid; Raza, Sohail

    2018-03-01

    Glycoprotein B (gB), C (gC) and D (gD) of herpes simplex virus are implicated in virus adsorption and penetration. The gB, gC and gD are glycoproteins for different processes of virus binding and attachment to the host cells. Moreover, their expression is necessary and sufficient to induce cell fusion in the absence of other glycoproteins. Egress of herpes simplex virus (HSV) and other herpes viruses from cells involves extensive modification of cellular membranes and sequential envelopment, de-envelopment and re-envelopment steps. Viral glycoproteins are important in these processes, and frequently two or more glycoproteins can largely suffice in any step. Hence, we target the 3 important glycoproteins (B, C and D) of eight different herpes viruses of different species. These species include human (HSV1 and 2), bovine (BHV1), equine (EHV1 and 4), chicken (ILT1 and MDV2) and pig (PRV1). By applying different bioinformatics tools, we highlighted the conserved sites in these glycoproteins which might be most significant regarding attachment and infection of the viruses. Moreover the conserved domains in these glycoproteins are also highlighted. From this study, we will able to analyze the role of different viral glycoproteins of different species during herpes virus adsorption and penetration. Moreover, this study will help to construct the antivirals that target the glycoproteins of different herpes viruses. Copyright © 2018 Elsevier Ltd. All rights reserved.

  6. Directed Hierarchical Patterning of Polycarbonate Bisphenol A Glass Surface along Predictable Sites

    Directory of Open Access Journals (Sweden)

    Mazen Khaled

    2015-01-01

    Full Text Available This paper reports a new approach in designing textured and hierarchical surfaces on polycarbonate bisphenol A type glass to improve hydrophobicity and dust repellent application for solar panels. Solvent- and vapor-induced crystallization of thermoplastic glass polycarbonate bisphenol A (PC is carried out to create hierarchically structured surfaces. In this approach dichloromethane (DCM and acetone are used in sequence. Samples are initially immersed in DCM liquid to generate nanopores, followed by exposing to acetone vapor resulting in the generation of hierarchical structure along the interporous sites. The effects of exposure time on the size, density, and distance of the generated spherules and gaps are studied and correlated with the optical transmittance and contact angle measurements at the surface. At optimized exposure time a contact angle of 98° was achieved with 80% optical transmittance. To further increase the hydrophobicity while maintaining optical properties, the hierarchical surfaces were coated with a transparent composite of tetraethyl orthosilicate as precursor and hexamethyldisilazane as silylation agent resulting in an average contact angle of 135.8° and transmittance of around 70%. FTIR and AFM characterization techniques are employed to study the composition and morphology of the generated surfaces.

  7. Prediction of DtxR regulon: Identification of binding sites and operons controlled by Diphtheria toxin repressor in Corynebacterium diphtheriae

    Directory of Open Access Journals (Sweden)

    Hasnain Seyed

    2004-09-01

    Full Text Available Abstract Background The diphtheria toxin repressor, DtxR, of Corynebacterium diphtheriae has been shown to be an iron-activated transcription regulator that controls not only the expression of diphtheria toxin but also of iron uptake genes. This study aims to identify putative binding sites and operons controlled by DtxR to understand the role of DtxR in patho-physiology of Corynebacterium diphtheriae. Result Positional Shannon relative entropy method was used to build the DtxR-binding site recognition profile and the later was used to identify putative regulatory sites of DtxR within C. diphtheriae genome. In addition, DtxR-regulated operons were also identified taking into account the predicted DtxR regulatory sites and genome annotation. Few of the predicted motifs were experimentally validated by electrophoretic mobility shift assay. The analysis identifies motifs upstream to the novel iron-regulated genes that code for Formamidopyrimidine-DNA glycosylase (FpG, an enzyme involved in DNA-repair and starvation inducible DNA-binding protein (Dps which is involved in iron storage and oxidative stress defense. In addition, we have found the DtxR motifs upstream to the genes that code for sortase which catalyzes anchoring of host-interacting proteins to the cell wall of pathogenic bacteria and the proteins of secretory system which could be involved in translocation of various iron-regulated virulence factors including diphtheria toxin. Conclusions We have used an in silico approach to identify the putative binding sites and genes controlled by DtxR in Corynebacterium diphtheriae. Our analysis shows that DtxR could provide a molecular link between Fe+2-induced Fenton's reaction and protection of DNA from oxidative damage. DtxR-regulated Dps prevents lethal combination of Fe+2 and H2O2 and also protects DNA by nonspecific DNA-binding. In addition DtxR could play an important role in host interaction and virulence by regulating the levels of sortase

  8. Summary of ground motion prediction results for Nevada Test Site underground nuclear explosions related to the Yucca Mountain project

    International Nuclear Information System (INIS)

    Walck, M.C.

    1996-10-01

    This report summarizes available data on ground motions from underground nuclear explosions recorded on and near the Nevada Test Site, with emphasis on the ground motions recorded at stations on Yucca Mountain, the site of a potential high-level radioactive waste repository. Sandia National Laboratories, through the Weapons Test Seismic Investigations project, collected and analyzed ground motion data from NTS explosions over a 14-year period, from 1977 through 1990. By combining these data with available data from earlier, larger explosions, prediction equations for several ground motion parameters have been developed for the Test Site area for underground nuclear explosion sources. Also presented are available analyses of the relationship between surface and downhole motions and spectra and relevant crustal velocity structure information for Yucca Mountain derived from the explosion data. The data and associated analyses demonstrate that ground motions at Yucca Mountain from nuclear tests have been at levels lower than would be expected from moderate to large earthquakes in the region; thus nuclear explosions, while located relatively close, would not control seismic design criteria for the potential repository

  9. Summary of ground motion prediction results for Nevada Test Site underground nuclear explosions related to the Yucca Mountain project

    Energy Technology Data Exchange (ETDEWEB)

    Walck, M.C.

    1996-10-01

    This report summarizes available data on ground motions from underground nuclear explosions recorded on and near the Nevada Test Site, with emphasis on the ground motions recorded at stations on Yucca Mountain, the site of a potential high-level radioactive waste repository. Sandia National Laboratories, through the Weapons Test Seismic Investigations project, collected and analyzed ground motion data from NTS explosions over a 14-year period, from 1977 through 1990. By combining these data with available data from earlier, larger explosions, prediction equations for several ground motion parameters have been developed for the Test Site area for underground nuclear explosion sources. Also presented are available analyses of the relationship between surface and downhole motions and spectra and relevant crustal velocity structure information for Yucca Mountain derived from the explosion data. The data and associated analyses demonstrate that ground motions at Yucca Mountain from nuclear tests have been at levels lower than would be expected from moderate to large earthquakes in the region; thus nuclear explosions, while located relatively close, would not control seismic design criteria for the potential repository.

  10. Agenda Trending: Reciprocity and the Predictive Capacity of Social Networking Sites in Intermedia Agenda Setting across Topics over Time

    Directory of Open Access Journals (Sweden)

    Jacob Groshek

    2013-08-01

    Full Text Available In the contemporary converged media environment, agenda setting is being transformed by the dramatic growth of audiences that are simultaneously media users and producers. The study reported here addresses related gaps in the literature by first comparing the topical agendas of two leading traditional media outlets (New York Times and CNN with the most frequently shared stories and trending topics on two widely popular Social Networking Sites (Facebook and Twitter. Time-series analyses of the most prominent topics identify the extent to which traditional media sets the agenda for social media as well as reciprocal agenda-setting effects of social media topics entering traditional media agendas. In addition, this study examines social intermedia agenda setting topically and across time within social networking sites, and in so doing, adds a vital understanding of where traditional media, online uses, and social media content intersect around instances of focusing events, particularly elections. Findings identify core differences between certain traditional and social media agendas, but also within social media agendas that extend from uses examined here. Additional results further suggest important topical and event-oriented limitations upon the predictive capacit of social networking sites to shape traditional media agendas over time.

  11. Timing of initial arrival at the breeding site predicts age at first reproduction in a long-lived migratory bird

    Science.gov (United States)

    Becker, Peter H.; Dittmann, Tobias; Ludwigs, Jan-Dieter; Limmer, Bente; Ludwig, Sonja C.; Bauch, Christina; Braasch, Alexander; Wendeln, Helmut

    2008-01-01

    In long-lived vertebrates, individuals generally visit potential breeding areas or populations during one or more seasons before reproducing for the first time. During these years of prospecting, they select a future breeding site, colony, or mate and improve various skills and their physical condition to meet the requirements of reproduction. One precondition of successful reproduction is arrival in time on the breeding grounds. Here, we study the intricate links among the date of initial spring arrival, body mass, sex, and the age of first breeding in the common tern Sterna hirundo, a long-lived migratory colonial seabird. The study is based on a unique, individual-based, long-term dataset of sexed birds, marked with transponders, which allow recording their individual arrival, overall attendance, and clutch initiation remotely and automatically year by year over the entire lifetime at the natal colony site. We show that the seasonal date of initial arrival at the breeding grounds predicts the individual age at first reproduction, which mostly occurs years later. Late first-time arrivals remain delayed birds throughout subsequent years. Our findings reveal that timing of arrival at the site of reproduction and timing of reproduction itself are coherent parameters of individual quality, which are linked with the prospects of the breeding career and may have consequences for fitness. PMID:18711134

  12. Distribution of cavity trees in midwestern old-growth and second-growth forests

    Science.gov (United States)

    Zhaofei Fan; Stephen R. Shifley; Martin A. Spetich; Frank R. Thompson; David R. Larsen

    2003-01-01

    We used classification and regression tree analysis to determine the primary variables associated with the occurrence of cavity trees and the hierarchical structure among those variables. We applied that information to develop logistic models predicting cavity tree probability as a function of diameter, species group, and decay class. Inventories of cavity abundance in...

  13. Cesium residue leachate migration in the tailings management area of a mine site : predicted vs. actual

    Energy Technology Data Exchange (ETDEWEB)

    Solylo, P.; Ramsey, D. [Wardrop Engineering, Winnipeg, MB (Canada). Mining and Minerals Section

    2009-07-01

    This paper reported on a study at a cesium products facility (CPF) that manufactures a non-toxic cesium-formate drilling fluid. The facility operates adjacent to a pollucite/tantalum/spodumene mine. The CPF was developed as a closed system, with the residue tailings slurry from the CPF process discharged to doublelined containment cells. Groundwater monitoring has shown that leachate has affected near-surface porewater quality within the tailings management area (TMA). Elevated concentrations of calcium, sulphate, strontium, cesium, and rubidium were used to identify the leachate. Porewater at the base of the tailings and in the overburden beneath the tailings has not been affected. A geochemical investigation was initiated to determine how the leachate behaves in the groundwater/tailings porewater system. Over the past 7 years of residue placement in the TMA, the footprint of the residue placement area has changed, making the comparison of predicted versus actual rate of leachate migration very subjective and difficult to quantify. Based solely on the analytical data, the source of the leachate is unknown, either from the original residue pile or the 2007 residue placement area. For purposes of long term residue management, an investigation of the geochemical behaviour of residue leachate in the groundwater/tailings system of the TMA is currently underway. 5 refs., 1 tab., 2 figs.

  14. Structure prediction and binding sites analysis of curcin protein of Jatropha curcas using computational approaches.

    Science.gov (United States)

    Srivastava, Mugdha; Gupta, Shishir K; Abhilash, P C; Singh, Nandita

    2012-07-01

    Ribosome inactivating proteins (RIPs) are defense proteins in a number of higher-plant species that are directly targeted toward herbivores. Jatropha curcas is one of the biodiesel plants having RIPs. The Jatropha seed meal, after extraction of oil, is rich in curcin, a highly toxic RIP similar to ricin, which makes it unsuitable for animal feed. Although the toxicity of curcin is well documented in the literature, the detailed toxic properties and the 3D structure of curcin has not been determined by X-ray crystallography, NMR spectroscopy or any in silico techniques to date. In this pursuit, the structure of curcin was modeled by a composite approach of 3D structure prediction using threading and ab initio modeling. Assessment of model quality was assessed by methods which include Ramachandran plot analysis and Qmean score estimation. Further, we applied the protein-ligand docking approach to identify the r-RNA binding residue of curcin. The present work provides the first structural insight into the binding mode of r-RNA adenine to the curcin protein and forms the basis for designing future inhibitors of curcin. Cloning of a future peptide inhibitor within J. curcas can produce non-toxic varieties of J. curcas, which would make the seed-cake suitable as animal feed without curcin detoxification.

  15. High Altitude Balloon Flight Path Prediction and Site Selection Based On Computer Simulations

    Science.gov (United States)

    Linford, Joel

    2010-10-01

    Interested in the upper atmosphere, Weber State University Physics department has developed a High Altitude Reconnaissance Balloon for Outreach and Research team, also known as HARBOR. HARBOR enables Weber State University to take a variety of measurements from ground level to altitudes as high as 100,000 feet. The flight paths of these balloons can extend as long as 100 miles from the launch zone, making the choice of where and when to fly critical. To ensure the ability to recover the packages in a reasonable amount of time, days and times are carefully selected using computer simulations limiting flight tracks to approximately 40 miles from the launch zone. The computer simulations take atmospheric data collected by National Oceanic and Atmospheric Administration (NOAA) to plot what flights might have looked like in the past, and to predict future flights. Using these simulations a launch zone has been selected in Duchesne Utah, which has hosted eight successful flights over the course of the last three years, all of which have been recovered. Several secondary launch zones in western Wyoming, Southern Idaho, and Northern Utah are also being considered.

  16. Radionuclide Partitioning in an Underground Nuclear Test Cavity

    Energy Technology Data Exchange (ETDEWEB)

    Rose, T P; Hu, Q; Zhao, P; Conrado, C L; Dickerson, R; Eaton, G F; Kersting, A B; Moran, J E; Nimz, G; Powell, B A; Ramon, E C; Ryerson, F J; Williams, R W; Wooddy, P T; Zavarin, M

    2009-01-09

    In 2004, a borehole was drilled into the 1983 Chancellor underground nuclear test cavity to investigate the distribution of radionuclides within the cavity. Sidewall core samples were collected from a range of depths within the re-entry hole and two sidetrack holes. Upon completion of drilling, casing was installed and a submersible pump was used to collect groundwater samples. Test debris and groundwater samples were analyzed for a variety of radionuclides including the fission products {sup 99}Tc, {sup 125}Sb, {sup 129}I, {sup 137}Cs, and {sup 155}Eu, the activation products {sup 60}Co, {sup 152}Eu, and {sup 154}Eu, and the actinides U, Pu, and Am. In addition, the physical and bulk chemical properties of the test debris were characterized using Scanning Electron Microscopy (SEM) and Electron Microprobe measurements. Analytical results were used to evaluate the partitioning of radionuclides between the melt glass, rubble, and groundwater phases in the Chancellor test cavity. Three comparative approaches were used to calculate partitioning values, though each method could not be applied to every nuclide. These approaches are based on: (1) the average Area 19 inventory from Bowen et al. (2001); (2) melt glass, rubble, and groundwater mass estimates from Zhao et al. (2008); and (3) fission product mass yield data from England and Rider (1994). The U and Pu analyses of the test debris are classified and partitioning estimates for these elements were calculated directly from the classified Miller et al. (2002) inventory for the Chancellor test. The partitioning results from this study were compared to partitioning data that were previously published by the IAEA (1998). Predictions of radionuclide distributions from the two studies are in agreement for a majority of the nuclides under consideration. Substantial differences were noted in the partitioning values for {sup 99}Tc, {sup 125}Sb, {sup 129}I, and uranium. These differences are attributable to two factors

  17. A comprehensive software suite for protein family construction and functional site prediction.

    Directory of Open Access Journals (Sweden)

    David Renfrew Haft

    Full Text Available In functionally diverse protein families, conservation in short signature regions may outperform full-length sequence comparisons for identifying proteins that belong to a subgroup within which one specific aspect of their function is conserved. The SIMBAL workflow (Sites Inferred by Metabolic Background Assertion Labeling is a data-mining procedure for finding such signature regions. It begins by using clues from genomic context, such as co-occurrence or conserved gene neighborhoods, to build a useful training set from a large number of uncharacterized but mutually homologous proteins. When training set construction is successful, the YES partition is enriched in proteins that share function with the user's query sequence, while the NO partition is depleted. A selected query sequence is then mined for short signature regions whose closest matches overwhelmingly favor proteins from the YES partition. High-scoring signature regions typically contain key residues critical to functional specificity, so proteins with the highest sequence similarity across these regions tend to share the same function. The SIMBAL algorithm was described previously, but significant manual effort, expertise, and a supporting software infrastructure were required to prepare the requisite training sets. Here, we describe a new, distributable software suite that speeds up and simplifies the process for using SIMBAL, most notably by providing tools that automate training set construction. These tools have broad utility for comparative genomics, allowing for flexible collection of proteins or protein domains based on genomic context as well as homology, a capability that can greatly assist in protein family construction. Armed with this new software suite, SIMBAL can serve as a fast and powerful in silico alternative to direct experimentation for characterizing proteins and their functional interactions.

  18. Effects of Freestream Turbulence on Cavity Tone and Sound Source

    Directory of Open Access Journals (Sweden)

    Hiroshi Yokoyama

    2016-01-01

    Full Text Available To clarify the effects of freestream turbulence on cavity tones, flow and acoustic fields were directly predicted for cavity flows with various intensities of freestream turbulence. The freestream Mach number was 0.09 and the Reynolds number based on the cavity length was 4.0 × 104. The depth-to-length ratio of the cavity, D/L, was 0.5 and 2.5, where the acoustic resonance of a depth-mode occurs for D/L = 2.5. The incoming boundary layer was laminar. The results for the intensity of freestream turbulence of Tu = 2.3% revealed that the reduced level of cavity tones in a cavity flow with acoustic resonance (D/L=2.5 was greater than that without acoustic resonance (D/L=0.5. To clarify the reason for this, the sound source based on Lighthill’s acoustic analogy was computed, and the contributions of the intensity and spanwise coherence of the sound source to the reduction of the cavity tone were estimated. As a result, the effects of the reduction of spanwise coherence on the cavity tone were greater in the cavity flow with acoustic resonance than in that without resonance, while the effects of the intensity were comparable for both flows.

  19. Seismic wave interaction with underground cavities

    Science.gov (United States)

    Schneider, Felix M.; Esterhazy, Sofi; Perugia, Ilaria; Bokelmann, Götz

    2016-04-01

    Realization of the future Comprehensive Nuclear Test Ban Treaty (CTBT) will require ensuring its compliance, making the CTBT a prime example of forensic seismology. Following indications of a nuclear explosion obtained on the basis of the (IMS) monitoring network further evidence needs to be sought at the location of the suspicious event. For such an On-Site Inspection (OSI) at a possible nuclear test site the treaty lists several techniques that can be carried out by the inspection team, including aftershock monitoring and the conduction of active seismic surveys. While those techniques are already well established, a third group of methods labeled as "resonance seismometry" is less well defined and needs further elaboration. A prime structural target that is expected to be present as a remnant of an underground nuclear explosion is a cavity at the location and depth the bomb was fired. Originally "resonance seismometry" referred to resonant seismic emission of the cavity within the medium that could be stimulated by an incident seismic wave of the right frequency and observed as peaks in the spectrum of seismic stations in the vicinity of the cavity. However, it is not yet clear which are the conditions for which resonant emissions of the cavity could be observed. In order to define distance-, frequency- and amplitude ranges at which resonant emissions could be observed we study the interaction of seismic waves with underground cavities. As a generic model for possible resonances we use a spherical acoustic cavity in an elastic full-space. To solve the forward problem for the full elastic wave field around acoustic spherical inclusions, we implemented an analytical solution (Korneev, 1993). This yields the possibility of generating scattering cross-sections, amplitude spectrums and synthetic seismograms for plane incident waves. Here, we focus on the questions whether or not we can expect resonant responses in the wave field scattered from the cavity. We show

  20. X-ray imaging of superconducting radio frequency cavities

    Science.gov (United States)

    Musser, Susan Elizabeth

    The goal of this research was to develop an improved diagnostic technique to identify the location of defects that limit superconducting radio frequency (SRF) cavity performance during cavity testing or in existing accelerators. SRF cavities are primarily constructed of niobium. Electrons within the metal of a cavity under high electric field gradient have a probability of tunneling through the potential barrier. i e. leave the surface or are field emitted in regions where defects are encountered. Field emitted electrons are accelerated in the electric fields within the cavity. The electrons can have complicated trajectories and strike the cavity walls thus producing x-rays via Coulomb interactions and/or bremsstrahlung radiation. The endpoint energy of an x-ray spectrum predicts the electron maximum final kinetic energy within the cavity. Field emission simulations can then predict the source of the field-emitted electrons and the defect(s). In a multicell cavity the cells are coupled together and act as a set of coupled oscillators. There are multiple passbands of excitation for a multicell structure operating in a particular mode. For different passbands of operation the direction and amplitude of the fields within a cavity change from that of the normal accelerating mode. Field emitted electrons have different trajectories depending on the mode and thus produce x-rays in different locations. Using a collimated sodium iodide detector and subjecting a cavity to multiple passband modes at high electric field gradient the source of a cavity's x-rays can be determined. Knowing the location of the x-rays and the maximum electron kinetic energy; field emission simulations for different passband modes can be used to determine and verify the source of the field emitted electrons from mode to mode. Once identified, the defect(s) can be repaired or modifications made to the manufacturing process.

  1. Hollow waveguide cavity ringdown spectroscopy

    Science.gov (United States)

    Dreyer, Chris (Inventor); Mungas, Greg S. (Inventor)

    2012-01-01

    Laser light is confined in a hollow waveguide between two highly reflective mirrors. This waveguide cavity is used to conduct Cavity Ringdown Absorption Spectroscopy of loss mechanisms in the cavity including absorption or scattering by gases, liquid, solids, and/or optical elements.

  2. Optimization of photonic crystal cavities

    DEFF Research Database (Denmark)

    Wang, Fengwen; Sigmund, Ole

    2017-01-01

    We present optimization of photonic crystal cavities. The optimization problem is formulated to maximize the Purcell factor of a photonic crystal cavity. Both topology optimization and air-hole-based shape optimization are utilized for the design process. Numerical results demonstrate...... that the Purcell factor of the photonic crystal cavity can be significantly improved through optimization....

  3. Nuclear reactor cavity streaming shield

    International Nuclear Information System (INIS)

    Klotz, R.J.; Stephen, D.W.

    1978-01-01

    The upper portion of a nuclear reactor vessel supported in a concrete reactor cavity has a structure mounted below the top of the vessel between the outer vessel wall and the reactor cavity wall which contains hydrogenous material which will attenuate radiation streaming upward between vessel and the reactor cavity wall while preventing pressure buildup during a loss of coolant accident

  4. Prediction of mucin-type O-glycosylation sites in mammalian proteins using the composition of k-spaced amino acid pairs

    Directory of Open Access Journals (Sweden)

    Sheng Zhi-Ya

    2008-02-01

    Full Text Available Abstract Background As one of the most common protein post-translational modifications, glycosylation is involved in a variety of important biological processes. Computational identification of glycosylation sites in protein sequences becomes increasingly important in the post-genomic era. A new encoding scheme was employed to improve the prediction of mucin-type O-glycosylation sites in mammalian proteins. Results A new protein bioinformatics tool, CKSAAP_OGlySite, was developed to predict mucin-type O-glycosylation serine/threonine (S/T sites in mammalian proteins. Using the composition of k-spaced amino acid pairs (CKSAAP based encoding scheme, the proposed method was trained and tested in a new and stringent O-glycosylation dataset with the assistance of Support Vector Machine (SVM. When the ratio of O-glycosylation to non-glycosylation sites in training datasets was set as 1:1, 10-fold cross-validation tests showed that the proposed method yielded a high accuracy of 83.1% and 81.4% in predicting O-glycosylated S and T sites, respectively. Based on the same datasets, CKSAAP_OGlySite resulted in a higher accuracy than the conventional binary encoding based method (about +5.0%. When trained and tested in 1:5 datasets, the CKSAAP encoding showed a more significant improvement than the binary encoding. We also merged the training datasets of S and T sites and integrated the prediction of S and T sites into one single predictor (i.e. S+T predictor. Either in 1:1 or 1:5 datasets, the performance of this S+T predictor was always slightly better than those predictors where S and T sites were independently predicted, suggesting that the molecular recognition of O-glycosylated S/T sites seems to be similar and the increase of the S+T predictor's accuracy may be a result of expanded training datasets. Moreover, CKSAAP_OGlySite was also shown to have better performance when benchmarked against two existing predictors. Conclusion Because of CKSAAP

  5. Radionuclide migration in ground water at a low-level waste disposal site: a comparison of predicted radionuclide transport modeling versus field observations

    International Nuclear Information System (INIS)

    Bergeron, M.P.; Robertson, D.E.; Champ, D.R.; Killey, R.W.D.; Moltyaner, G.L.

    1987-01-01

    At the Chalk River Nuclear Laboratories (CRNL), in Ontario, Canada, a number of LLW shallow-land burial facilities have existed for 25-30 years. These facilities are useful for testing the concept of site modelability. In 1984, CRNL and the Pacific Northwest Laboratory (PNL) established a cooperative research program to examine two disposal sites having plumes of slightly contaminated ground water for study. This report addresses the LLW Nitrate Disposal Pit site, which received liquid wastes containing approximately 1000-1500 curies of mixed fission products during 1953-54. The objective of this study is to test the regulatory requirement that a site be modeled and to use the Nitrate Disposal Pit site as a field site for testing the reliability of models in predicting radionuclide movement in ground water. The study plan was to approach this site as though it were to be licensed under the requirements of 10 CFR 61. Under the assumption that little was known about this site, a characterization plan was prepared describing the geologic, hydrologic, and geochemical information needed to assess site performance. After completion of the plan, site data generated by CRNL were selected to fill the plan data requirements. This paper describes the site hydrogeology, modeling of ground water flow, the comparison of observed and predicted radionuclide movement, and summarizes the conclusions and recommendations. 3 references, 10 figures

  6. Colloquium: cavity optomechanics

    CERN Multimedia

    2011-01-01

    Monday 14 November 2011, 17:00 Ecole de Physique, Auditoire Stueckelberg Université de Genève Cavity optomechanics: controlling micro mechanical oscillators with laser light Prof. Tobias Kippenberg EPFL, Lausanne Laser light can be used to cool and to control trapped ions, atoms and molecules at the quantum level. This has lead to spectacular advances such as the most precise atomic clocks. An outstanding frontier is the control with lasers of nano- and micro-mechancial systems. Recent advances in cavity optomechanics have allowed such elementary control for the first time, enabling mechanical systems to be ground state cooled leading to readout with quantum limited sensitivity and permitting to explore new device concepts resulting from radiation pressure.  

  7. Leaching materials from cavities

    International Nuclear Information System (INIS)

    Hodgson, T.D.; Jordan, T.W.J.

    1980-01-01

    A material is leached from a cavity by contacting the material with a liquid and subjecting the liquid to a number of pressure cycles, each pressure cycle involving a decrease in pressure to cause boiling of the liquid, followed by a rise in pressure to inhibit the boiling. The method may include the step of heating the liquid to a temperature near to its boiling point. The material may be nuclear fuel pellets or calcium carbonate pellets. (author)

  8. Superconducting cavities for HERA

    International Nuclear Information System (INIS)

    Dwersteg, B.; Ebeling, W.; Moeller, W.D.; Renken, D.; Proch, D.; Sekutowicz, J.; Susta, J.; Tong, D.

    1988-01-01

    Superconducting 500 MHz cavities are developed to demonstrate the feasibility of upgrading the e-beam energy of the HERA storage ring. A prototype module with 2 x 4 cell resonators and appropriate fundamental and higher mode couplers has been designed at DESY and is being built by industrial firms. The design and results of RF and cryogenic measurements are reported in detail. 17 references, 10 figures, 2 tables

  9. HPV and cancer of the oral cavity.

    Science.gov (United States)

    Hübbers, Christian U; Akgül, Baki

    2015-01-01

    Increased awareness of human papillomavirus (HPV) as an etiological cause of head and neck squamous cell carcinoma has increased the interest in analysis of distinct oral sub-sites. It is currently under debate, whether HPV plays a role in the development of squamous cell carcinoma of the oral cavity (OSCC). The weakness in most published studies is the lack of performing different HPV detection tests combined with analysis for biological activity of the virus. In addition, different sub-sites of the oral cavity had been combined to a single entity, which retrospectively leads to a highly heterogeneous basis of data. In this review we mainly discuss the unclear role of HPV in OSCC development.

  10. Predicting Social Networking Site Use and Online Communication Practices among Adolescents: The Role of Access and Device Ownership

    Directory of Open Access Journals (Sweden)

    Drew P. Cingel

    2014-01-01

    Full Text Available Given adolescents' heavy social media use, this study examined a number of predictors of adolescent social media use, as well as predictors of online communication practices. Using data collected from a national sample of 467 adolescents between the ages of 13 and 17, results indicate that demographics, technology access, and technology ownership are related to social media use and communication practices. Specifically, females log onto and use more constructive communication practices on Facebook compared to males. Additionally, adolescents who own smartphones engage in more constructive online communication practices than those who share regular cell phones or those who do not have access to a cell phone. Overall, results imply that ownership of mobile technologies, such as smartphones and iPads, may be more predictive of social networking site use and online communication practices than general ownership of technology.

  11. Predicting Social Networking Site Use and Online Communication Practices among Adolescents: The Role of Access and Device Ownership

    Directory of Open Access Journals (Sweden)

    Drew P. Cingel

    2014-06-01

    Full Text Available Given adolescents' heavy social media use, this study examined a number of predictors of adolescent social media use, as well as predictors of online communication practices. Using data collected from a national sample of 467 adolescents between the ages of 13 and 17, results indicate that demographics, technology access, and technology ownership are related to social media use and communication practices. Specifically, females log onto and use more constructive com-munication practices on Facebook compared to males. Additionally, adolescents who own smartphones engage in more constructive online communication practices than those who share regular cell phones or those who do not have access to a cell phone. Overall, results imply that ownership of mobile technologies, such as smartphones and iPads, may be more predictive of social networking site use and online communication practices than general ownership of technology.

  12. Roosting records in tree cavities by a forest-dwelling bat species (Histiotus magellanicus) in Andean temperate ecosystems of southern Chile

    OpenAIRE

    Altamirano, Tomás A; Ibarra, José Tomás; Novoa, Fernando; Vermehren, Alejandra; Martin, Kathy; Bonacic, Cristián

    2017-01-01

    Tree cavities can provide critical roosting sites for cavity-using vertebrates. These sites can directly affect productivity and survival of bats. Histiotus magellanicus, one of the bat species with the southernmost distribution in the world, is suspected to use tree cavities, under bark, caves and human buildings for roosting. We document the first records of this bat roosting in tree cavities created by both cavity-facilitators (i.e., excavators) and tree-decay processes on standing dead an...

  13. Improvement of AEP Predictions Using Diurnal CFD Modelling with Site-Specific Stability Weightings Provided from Mesoscale Simulation

    International Nuclear Information System (INIS)

    Hristov, Y; Oxley, G; Žagar, M

    2014-01-01

    The Bolund measurement campaign, performed by Danish Technical University (DTU) Wind Energy Department (also known as RISØ), provided significant insight into wind flow modeling over complex terrain. In the blind comparison study several modelling solutions were submitted with the vast majority being steady-state Computational Fluid Dynamics (CFD) approaches with two equation k-ε turbulence closure. This approach yielded the most accurate results, and was identified as the state-of-the-art tool for wind turbine generator (WTG) micro-siting. Based on the findings from Bolund, further comparison between CFD and field measurement data has been deemed essential in order to improve simulation accuracy for turbine load and long-term Annual Energy Production (AEP) estimations. Vestas Wind Systems A/S is a major WTG original equipment manufacturer (OEM) with an installed base of over 60GW in over 70 countries accounting for 19% of the global installed base. The Vestas Performance and Diagnostic Centre (VPDC) provides online live data to more than 47GW of these turbines allowing a comprehensive comparison between modelled and real-world energy production data. In previous studies, multiple sites have been simulated with a steady neutral CFD formulation for the atmospheric surface layer (ASL), and wind resource (RSF) files have been generated as a base for long-term AEP predictions showing significant improvement over predictions performed with the industry standard linear WAsP tool. In this study, further improvements to the wind resource file generation with CFD are examined using an unsteady diurnal cycle approach with a full atmospheric boundary layer (ABL) formulation, with the unique stratifications throughout the cycle weighted according to mesoscale simulated sectorwise stability frequencies

  14. Crab cavities for linear colliders

    CERN Document Server

    Burt, G; Carter, R; Dexter, A; Tahir, I; Beard, C; Dykes, M; Goudket, P; Kalinin, A; Ma, L; McIntosh, P; Shulte, D; Jones, Roger M; Bellantoni, L; Chase, B; Church, M; Khabouline, T; Latina, A; Adolphsen, C; Li, Z; Seryi, Andrei; Xiao, L

    2008-01-01

    Crab cavities have been proposed for a wide number of accelerators and interest in crab cavities has recently increased after the successful operation of a pair of crab cavities in KEK-B. In particular crab cavities are required for both the ILC and CLIC linear colliders for bunch alignment. Consideration of bunch structure and size constraints favour a 3.9 GHz superconducting, multi-cell cavity as the solution for ILC, whilst bunch structure and beam-loading considerations suggest an X-band copper travelling wave structure for CLIC. These two cavity solutions are very different in design but share complex design issues. Phase stabilisation, beam loading, wakefields and mode damping are fundamental issues for these crab cavities. Requirements and potential design solutions will be discussed for both colliders.

  15. A strategy for interaction site prediction between phospho-binding modules and their partners identified from proteomic data.

    Science.gov (United States)

    Aucher, Willy; Becker, Emmanuelle; Ma, Emilie; Miron, Simona; Martel, Arnaud; Ochsenbein, Françoise; Marsolier-Kergoat, Marie-Claude; Guerois, Raphaël

    2010-12-01

    Small and large scale proteomic technologies are providing a wealth of potential interactions between proteins bearing phospho-recognition modules and their substrates. Resulting interaction maps reveal such a dense network of interactions that the functional dissection and understanding of these networks often require to break specific interactions while keeping the rest intact. Here, we developed a computational strategy, called STRIP, to predict the precise interaction site involved in an interaction with a phospho-recognition module. The method was validated by a two-hybrid screen carried out using the ForkHead Associated (FHA)1 domain of Rad53, a key protein of Saccharomyces cerevisiae DNA checkpoint, as a bait. In this screen we detected 11 partners, including Cdc7 and Cdc45, essential components of the DNA replication machinery. FHA domains are phospho-threonine binding modules and the threonines involved in both interactions could be predicted using the STRIP strategy. The threonines T484 and T189 in Cdc7 and Cdc45, respectively, were mutated and loss of binding could be monitored experimentally with the full-length proteins. The method was further tested for the analysis of 63 known Rad53 binding partners and provided several key insights regarding the threonines likely involved in these interactions. The STRIP method relies on a combination of conservation, phosphorylation likelihood, and binding specificity criteria and can be accessed via a web interface at http://biodev.extra.cea.fr/strip/.

  16. A Strategy for Interaction Site Prediction between Phospho-binding Modules and their Partners Identified from Proteomic Data*

    Science.gov (United States)

    Aucher, Willy; Becker, Emmanuelle; Ma, Emilie; Miron, Simona; Martel, Arnaud; Ochsenbein, Françoise; Marsolier-Kergoat, Marie-Claude; Guerois, Raphaël

    2010-01-01

    Small and large scale proteomic technologies are providing a wealth of potential interactions between proteins bearing phospho-recognition modules and their substrates. Resulting interaction maps reveal such a dense network of interactions that the functional dissection and understanding of these networks often require to break specific interactions while keeping the rest intact. Here, we developed a computational strategy, called STRIP, to predict the precise interaction site involved in an interaction with a phospho-recognition module. The method was validated by a two-hybrid screen carried out using the ForkHead Associated (FHA)1 domain of Rad53, a key protein of Saccharomyces cerevisiae DNA checkpoint, as a bait. In this screen we detected 11 partners, including Cdc7 and Cdc45, essential components of the DNA replication machinery. FHA domains are phospho-threonine binding modules and the threonines involved in both interactions could be predicted using the STRIP strategy. The threonines T484 and T189 in Cdc7 and Cdc45, respectively, were mutated and loss of binding could be monitored experimentally with the full-length proteins. The method was further tested for the analysis of 63 known Rad53 binding partners and provided several key insights regarding the threonines likely involved in these interactions. The STRIP method relies on a combination of conservation, phosphorylation likelihood, and binding specificity criteria and can be accessed via a web interface at http://biodev.extra.cea.fr/strip/. PMID:20733106

  17. Development of a New Outcome Prediction Model in Early-stage Squamous Cell Carcinoma of the Oral Cavity Based on Histopathologic Parameters With Multivariate Analysis: The Aditi-Nuzhat Lymph-node Prediction Score (ANLPS) System.

    Science.gov (United States)

    Arora, Aditi; Husain, Nuzhat; Bansal, Ankur; Neyaz, Azfar; Jaiswal, Ritika; Jain, Kavitha; Chaturvedi, Arun; Anand, Nidhi; Malhotra, Kiranpreet; Shukla, Saumya

    2017-07-01

    The aim of this study was to evaluate the histopathologic parameters that predict lymph node metastasis in patients with oral squamous cell carcinoma (OSCC) and to design a new assessment score on the basis of these parameters that could ultimately allow for changes in treatment decisions or aid clinicians in deciding whether there is a need for close follow-up or to perform early lymph node dissection. Histopathologic parameters of 336 cases of OSCC with stage cT1/T2 N0M0 disease were analyzed. The location of the tumor and the type of surgery used for the management of the tumor were recorded for all patients. The parameters, including T stage, grading of tumor, tumor budding, tumor thickness, depth of invasion, shape of tumor nest, lymphoid response at tumor-host interface and pattern of invasion, eosinophilic reaction, foreign-body giant cell reaction, lymphovascular invasion, and perineural invasion, were examined. Ninety-two patients had metastasis in lymph nodes. On univariate and multivariate analysis, independent variables for predicting lymph node metastasis in descending order were depth of invasion (P=0.003), pattern of invasion (P=0.007), perineural invasion (P=0.014), grade (P=0.028), lymphovascular invasion (P=0.038), lymphoid response (P=0.037), and tumor budding (P=0.039). We designed a scoring system on the basis of these statistical results and tested it. Cases with scores ranging from 7 to 11, 12 to 16, and ≥17 points showed LN metastasis in 6.4%, 22.8%, and 77.1% of cases, respectively. The difference between these 3 groups in relation to nodal metastasis was very significant (P<0.0001). A patient at low risk for lymph node metastasis (score, 7 to 11) had a 5-year survival of 93%, moderate-risk patients (score, 12 to 16) had a 5-year survival of 67%, and high-risk patients (score, 17 to 21) had a 5-year survival of 39%. The risk of lymph node metastasis in OSCC is influenced by many histologic parameters that are not routinely analyzed in

  18. 8-anilino-1-naphthaline sulfonate binds at the hemoglobin allosteric regulatory sites: inhibitory analyses

    International Nuclear Information System (INIS)

    Bokut', S.B.; Parul', D.A.; Yachnik, N.N.; Milyutin, A.A.

    2001-01-01

    The present study focused on the localization at least one of the ANS binding sites in the major form of human hemoglobin HbA. High-resolution docking predict ANS binding to the hemoglobin central cavity. Steady-state fluorescence titration data obtained in the absence/presence of natural effector inositol hexaphosphate (IHP) allowed to conclude that IHP competitively inhibited ANS binding to HbA. Thus, we must conclude that one of the ANS binding sites is central cavity, which makes it possible to monitor changes at this region upon ligation/deligation, effector binding and changes in hemoglobin structure

  19. Heat loss investigation from spherical cavity receiver of solar concentrator

    Energy Technology Data Exchange (ETDEWEB)

    Shewale, V. C. [Dept. of Mechanical Engineering, NDMVPS KBT College of Engineering, Nashik (India); Dongarwar, P. R. [Dept. of Mechanical Engineering, College of Military Engineering, Pune (India); Gawande, R. P. [Dept. of Mechanical Engineering, B.D.C.O.E. Wardha, Nagpur University, NagpurI (India)

    2016-11-15

    The heat losses are mainly affects on the performance of cavity receiver of solar concentrator. In this paper, the experimental and numerical study is carried out for different heat losses from spherical cavity receiver of 0.385 m cavity diameter and 0.154 m opening diameter. The total and convection losses are studied experimentally to no wind and wind conditions for the temperature range of 150 °C to 300 °C at 0°, 30°, 45°, 60° and 90° inclination angle of cavity receiver. The experimental set up mainly consists of copper tube material cavity receiver wrapped with nichrome heating coil to heat the cavity and insulated with glasswool insulation. The numerical analysis was carried out with Fluent Computational fluid dynamics (CFD) software, to study connective heat losses for no wind condition only. The numerical results are compared with experimental results and found good agreement with maximum deviation of 12 %. The effect of inclination angle of cavity receiver on total losses and convection losses shows that as the inclination angle increases from 0o to 90o, both losses decreased due to decreased in convective zone into the cavity receiver. The effect of operating temperature of cavity shows that as the temperature of cavity receiver increases, the total and convective losses goes on increasing. The effect of external wind at 2 m/s and 4 m/s in two directions (side-on wind and head-on wind) is also studied experimentally for total and convective heat losses. The result shows that the heat losses are higher for head-on wind condition compared to side-on wind and no wind condition at all inclination angle of cavity receiver. The present results are also compared to the convective losses obtained from the correlations of Stine and Mcdonald and M. Prakash. The convective loss from these correlations shows nearest prediction to both experimental and numerical results.

  20. Heat loss investigation from spherical cavity receiver of solar concentrator

    International Nuclear Information System (INIS)

    Shewale, V. C.; Dongarwar, P. R.; Gawande, R. P.

    2016-01-01

    The heat losses are mainly affects on the performance of cavity receiver of solar concentrator. In this paper, the experimental and numerical study is carried out for different heat losses from spherical cavity receiver of 0.385 m cavity diameter and 0.154 m opening diameter. The total and convection losses are studied experimentally to no wind and wind conditions for the temperature range of 150 °C to 300 °C at 0°, 30°, 45°, 60° and 90° inclination angle of cavity receiver. The experimental set up mainly consists of copper tube material cavity receiver wrapped with nichrome heating coil to heat the cavity and insulated with glasswool insulation. The numerical analysis was carried out with Fluent Computational fluid dynamics (CFD) software, to study connective heat losses for no wind condition only. The numerical results are compared with experimental results and found good agreement with maximum deviation of 12 %. The effect of inclination angle of cavity receiver on total losses and convection losses shows that as the inclination angle increases from 0o to 90o, both losses decreased due to decreased in convective zone into the cavity receiver. The effect of operating temperature of cavity shows that as the temperature of cavity receiver increases, the total and convective losses goes on increasing. The effect of external wind at 2 m/s and 4 m/s in two directions (side-on wind and head-on wind) is also studied experimentally for total and convective heat losses. The result shows that the heat losses are higher for head-on wind condition compared to side-on wind and no wind condition at all inclination angle of cavity receiver. The present results are also compared to the convective losses obtained from the correlations of Stine and Mcdonald and M. Prakash. The convective loss from these correlations shows nearest prediction to both experimental and numerical results

  1. The predictable nature of the Paleozoic sedimentary sequence beneath the Bruce nuclear site in Southern Ontario, Canada

    International Nuclear Information System (INIS)

    Parmenter, Andrew; Jensen, Mark; Crowe, Richard

    2012-01-01

    Document available in extended abstract form only. A key aspect of a Deep Geologic Repository (DGR) safety case is the ability to develop and communicate an understanding of the geologic stability and resilience to change at time frames relevant to demonstrating repository performance. As part of an on-going Environmental Assessment, Ontario Power Generation (OPG) recently completed site-specific investigations within an 850 m thick Paleozoic sedimentary sequence beneath the Bruce nuclear site for the proposed development of a DGR for Low and Intermediate Level Waste (L and ILW). As envisioned, the shaft-accessed DGR would be excavated at a nominal depth of 680 m within the low permeability Ordovician argillaceous limestone of the Cobourg Formation, which is overlain by more than 200 m of low permeability Ordovician shale. The geo-scientific investigations revealed a relatively undeformed and laterally continuous architecture within the sedimentary sequence at the repository scale (1.5 km 2 ) and beyond. This paper explores the predictable nature of the sedimentary sequence that has contributed to increasing confidence in an understanding of the spatial distribution of groundwater system properties, deep groundwater system evolution and natural barrier performance. Multi-disciplinary geo-scientific investigations of the Bruce nuclear site were completed in 3 phases between 2006 and 2010. The sub-surface investigations included a deep drilling, coring and in-situ testing program and, the completion of a 19.7 km (9 lines) 2-D seismic reflection survey. The drilling program involved 6 (150 mm dia.) deep boreholes (4-vertical; 2 inclined) that were extended through the sedimentary sequence from 4 drill sites, arranged around the 0.3 km 2 footprint of the proposed repository. The more than 3.8 km of rock core (77 mm dia.) retrieved have provided, in part, a strong basis to understand bedrock lithology and mineralogy, facies assemblages, structure, and oil and gas

  2. Plasma Evolution within an Erupting Coronal Cavity

    Science.gov (United States)

    Long, David M.; Harra, Louise K.; Matthews, Sarah A.; Warren, Harry P.; Lee, Kyoung-Sun; Doschek, George A.; Hara, Hirohisa; Jenkins, Jack M.

    2018-03-01

    Coronal cavities have previously been observed to be associated with long-lived quiescent filaments and are thought to correspond to the associated magnetic flux rope. Although the standard flare model predicts a coronal cavity corresponding to the erupting flux rope, these have only been observed using broadband imaging data, restricting an analysis to the plane-of-sky. We present a unique set of spectroscopic observations of an active region filament seen erupting at the solar limb in the extreme ultraviolet. The cavity erupted and expanded rapidly, with the change in rise phase contemporaneous with an increase in nonthermal electron energy flux of the associated flare. Hot and cool filamentary material was observed to rise with the erupting flux rope, disappearing suddenly as the cavity appeared. Although strongly blueshifted plasma continued to be observed flowing from the apex of the erupting flux rope, this outflow soon ceased. These results indicate that the sudden injection of energy from the flare beneath forced the rapid eruption and expansion of the flux rope, driving strong plasma flows, which resulted in the eruption of an under-dense filamentary flux rope.

  3. ISR RF cavities

    CERN Multimedia

    1983-01-01

    In each ISR ring the radiofrequency cavities were installed in one 9 m long straight section. The RF system of the ISR had the main purpose to stack buckets of particles (most of the time protons)coming from the CPS and also to accelerate the stacked beam. The installed RF power per ring was 18 kW giving a peak accelerating voltage of 20 kV. The system had a very fine regulation feature allowing to lower the voltage down to 75 V in a smooth and well controlled fashion.

  4. The discrete Planck spectrum of a spherical cavity

    International Nuclear Information System (INIS)

    Vlad, V.I.; Ionescu-Pallas, N.

    1999-03-01

    The energy spectrum of black body radiation at the absolute temperature, T, in an ideal spherical cavity of radius, R, is studied. The departures from the classical predictions of Planck's theory, due to the discrete energies of the radiation quanta confined inside the cavity, depend on the adiabatic invariant RT and are significant for RT ≤ 40 cm · K. Special attention was paid to evidence strong changes in the spectrum intensities, forbidden bands of frequency, as well as major modifications of the total energy for RT ≤ 2 cm · K. Similar effects were present in the case of a cubic cavity. (author)

  5. Oral cavity eumycetoma

    Directory of Open Access Journals (Sweden)

    Gisele Alborghetti Nai

    2011-06-01

    Full Text Available Mycetoma is a pathological process in which eumycotic (fungal or actinomycotic causative agents from exogenous source produce grains. It is a localized chronic and deforming infectious disease of subcutaneous tissue, skin and bones. We report the first case of eumycetoma of the oral cavity in world literature. CASE REPORT: A 43-year-old male patient, complaining of swelling and fistula in the hard palate. On examination, swelling of the anterior and middle hard palate, with fistula draining a dark liquid was observed. The panoramic radiograph showed extensive radiolucent area involving the region of teeth 21-26 and the computerized tomography showed communication with the nasal cavity, suggesting the diagnosis of periapical cyst. Surgery was performed to remove the lesion. Histopathological examination revealed purulent material with characteristic grain. Gram staining for bacteria was negative and Grocott-Gomori staining for the detection of fungi was positive, concluding the diagnosis of eumycetoma. The patient was treated with ketoconazole for nine months, and was considered cured at the end of treatment. CONCLUSION: Histopathological examination, using histochemical staining, and direct microscopic grains examination can provide the distinction between eumycetoma and actinomycetoma accurately.

  6. A consistency-based feature selection method allied with linear SVMs for HIV-1 protease cleavage site prediction.

    Directory of Open Access Journals (Sweden)

    Orkun Oztürk

    Full Text Available BACKGROUND: Predicting type-1 Human Immunodeficiency Virus (HIV-1 protease cleavage site in protein molecules and determining its specificity is an important task which has attracted considerable attention in the research community. Achievements in this area are expected to result in effective drug design (especially for HIV-1 protease inhibitors against this life-threatening virus. However, some drawbacks (like the shortage of the available training data and the high dimensionality of the feature space turn this task into a difficult classification problem. Thus, various machine learning techniques, and specifically several classification methods have been proposed in order to increase the accuracy of the classification model. In addition, for several classification problems, which are characterized by having few samples and many features, selecting the most relevant features is a major factor for increasing classification accuracy. RESULTS: We propose for HIV-1 data a consistency-based feature selection approach in conjunction with recursive feature elimination of support vector machines (SVMs. We used various classifiers for evaluating the results obtained from the feature selection process. We further demonstrated the effectiveness of our proposed method by comparing it with a state-of-the-art feature selection method applied on HIV-1 data, and we evaluated the reported results based on attributes which have been selected from different combinations. CONCLUSION: Applying feature selection on training data before realizing the classification task seems to be a reasonable data-mining process when working with types of data similar to HIV-1. On HIV-1 data, some feature selection or extraction operations in conjunction with different classifiers have been tested and noteworthy outcomes have been reported. These facts motivate for the work presented in this paper. SOFTWARE AVAILABILITY: The software is available at http

  7. pDHS-SVM: A prediction method for plant DNase I hypersensitive sites based on support vector machine.

    Science.gov (United States)

    Zhang, Shanxin; Zhou, Zhiping; Chen, Xinmeng; Hu, Yong; Yang, Lindong

    2017-08-07

    DNase I hypersensitive sites (DHSs) are accessible chromatin regions hypersensitive to cleavages by DNase I endonucleases. DHSs are indicative of cis-regulatory DNA elements (CREs), all of which play important roles in global gene expression regulation. It is helpful for discovering CREs by recognition of DHSs in genome. To accelerate the investigation, it is an important complement to develop cost-effective computational methods to identify DHSs. However, there is a lack of tools used for identifying DHSs in plant genome. Here we presented pDHS-SVM, a computational predictor to identify plant DHSs. To integrate the global sequence-order information and local DNA properties, reverse complement kmer and dinucleotide-based auto covariance of DNA sequences were applied to construct the feature space. In this work, fifteen physical-chemical properties of dinucleotides were used and Support Vector Machine (SVM) was employed. To further improve the performance of the predictor and extract an optimized subset of nucleotide physical-chemical properties positive for the DHSs, a heuristic nucleotide physical-chemical property selection algorithm was introduced. With the optimized subset of properties, experimental results of Arabidopsis thaliana and rice (Oryza sativa) showed that pDHS-SVM could achieve accuracies up to 87.00%, and 85.79%, respectively. The results indicated the effectiveness of proposed method for predicting DHSs. Furthermore, pDHS-SVM could provide a helpful complement for predicting CREs in plant genome. Our implementation of the novel proposed method pDHS-SVM is freely available as source code, at https://github.com/shanxinzhang/pDHS-SVM. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Friends' Alcohol-Related Social Networking Site Activity Predicts Escalations in Adolescent Drinking: Mediation by Peer Norms.

    Science.gov (United States)

    Nesi, Jacqueline; Rothenberg, W Andrew; Hussong, Andrea M; Jackson, Kristina M

    2017-06-01

    Adolescents' increased use of social networking sites (SNS) coincides with a developmental period of heightened risk for alcohol use initiation. However, little is known regarding associations between adolescents' SNS use and drinking initiation nor the mechanisms of this association. This study examined longitudinal associations among adolescents' exposure to friends' alcohol-related SNS postings, alcohol-favorable peer injunctive norms, and initiation of drinking behaviors. Participants were 658 high-school students who reported on posting of alcohol-related SNS content by self and friends, alcohol-related injunctive norms, and other developmental risk factors for alcohol use at two time points, 1 year apart. Participants also reported on initiation of three drinking behaviors: consuming a full drink, becoming drunk, and heavy episodic drinking (three or more drinks per occasion). Probit regression analyses were used to predict initiation of drinking behaviors from exposure to alcohol-related SNS content. Path analyses examined mediation of this association by peer injunctive norms. Exposure to friends' alcohol-related SNS content predicted adolescents' initiation of drinking and heavy episodic drinking 1 year later, controlling for demographic and known developmental risk factors for alcohol use (i.e., parental monitoring and peer orientation). In addition, alcohol-favorable peer injunctive norms statistically mediated the relationship between alcohol-related SNS exposure and each drinking milestone. Results suggest that social media plays a unique role in contributing to peer influence processes surrounding alcohol use and highlight the need for future investigative and preventive efforts to account for adolescents' changing social environments. Copyright © 2017 Society for Adolescent Health and Medicine. Published by Elsevier Inc. All rights reserved.

  9. The size, morphology, site, and access score predicts critical outcomes of endoscopic mucosal resection in the colon.

    Science.gov (United States)

    Sidhu, Mayenaaz; Tate, David J; Desomer, Lobke; Brown, Gregor; Hourigan, Luke F; Lee, Eric Y T; Moss, Alan; Raftopoulos, Spiro; Singh, Rajvinder; Williams, Stephen J; Zanati, Simon; Burgess, Nicholas; Bourke, Michael J

    2018-01-25

    The SMSA (size, morphology, site, access) polyp scoring system is a method of stratifying the difficulty of polypectomy through assessment of four domains. The aim of this study was to evaluate the ability of SMSA to predict critical outcomes of endoscopic mucosal resection (EMR). We retrospectively applied SMSA to a prospectively collected multicenter database of large colonic laterally spreading lesions (LSLs) ≥ 20 mm referred for EMR. Standard inject-and-resect EMR procedures were performed. The primary end points were correlation of SMSA level with technical success, adverse events, and endoscopic recurrence. 2675 lesions in 2675 patients (52.6 % male) underwent EMR. Failed single-session EMR occurred in 124 LSLs (4.6 %) and was predicted by the SMSA score ( P  < 0.001). Intraprocedural and clinically significant postendoscopic bleeding was significantly less common for SMSA 2 LSLs (odds ratio [OR] 0.36, P  < 0.001 and OR 0.23, P  < 0.01) and SMSA 3 LSLs (OR 0.41, P  < 0.001 and OR 0.60, P  = 0.05) compared with SMSA 4 lesions. Similarly, endoscopic recurrence at first surveillance was less likely among SMSA 2 (OR 0.19, P  < 0.001) and SMSA 3 (OR 0.33, P  < 0.001) lesions compared with SMSA 4 lesions. This also extended to second surveillance among SMSA 4 LSLs. SMSA is a simple, readily applicable, clinical score that identifies a subgroup of patients who are at increased risk of failed EMR, adverse events, and adenoma recurrence at surveillance colonoscopy. This information may be useful for improving informed consent, planning endoscopy lists, and developing quality control measures for practitioners of EMR, with potential implications for EMR benchmarking and training. © Georg Thieme Verlag KG Stuttgart · New York.

  10. Predicting summer site occupancy for an invasive species, the common brushtail possum (Trichosurus vulpecula, in an urban environment.

    Directory of Open Access Journals (Sweden)

    Amy L Adams

    Full Text Available Invasive species are often favoured in fragmented, highly-modified, human-dominated landscapes such as urban areas. Because successful invasive urban adapters can occupy habitat that is quite different from that in their original range, effective management programmes for invasive species in urban areas require an understanding of distribution, habitat and resource requirements at a local scale that is tailored to the fine-scale heterogeneity typical of urban landscapes. The common brushtail possum (Trichosurus vulpecula is one of New Zealand's most destructive invasive pest species. As brushtail possums traditionally occupy forest habitat, control in New Zealand has focussed on rural and forest habitats, and forest fragments in cities. However, as successful urban adapters, possums may be occupying a wider range of habitats. Here we use site occupancy methods to determine the distribution of brushtail possums across five distinguishable urban habitat types during summer, which is when possums have the greatest impacts on breeding birds. We collected data on possum presence/absence and habitat characteristics, including possible sources of supplementary food (fruit trees, vegetable gardens, compost heaps, and the availability of forest fragments from 150 survey locations. Predictive distribution models constructed using the programme PRESENCE revealed that while occupancy rates were highest in forest fragments, possums were still present across a large proportion of residential habitat with occupancy decreasing as housing density increased and green cover decreased. The presence of supplementary food sources was important in predicting possum occupancy, which may reflect the high nutritional value of these food types. Additionally, occupancy decreased as the proportion of forest fragment decreased, indicating the importance of forest fragments in determining possum distribution. Control operations to protect native birds from possum predation in

  11. Cryostat for TRISTAN superconducting cavity

    International Nuclear Information System (INIS)

    Mitsunobu, S.; Furuya, T.; Hara, K.

    1990-01-01

    Superconducting cavities generate rather high heat load of hundreds watts in one cryostat and have high sensitivity for pressure. We adopted usual pool-boiling type cooling for its stable pressure operation. Two 5-cell Nb cavities were installed in one flange type cryostat. Tuning mechanics actuated by a pulse-motor and a Piezo-electric element are set at outside of vacuum end flange. The design and performance of the cryostat for TRISTAN superconducting cavities are described. (author)

  12. Superconducting Radio-Frequency Cavities

    Science.gov (United States)

    Padamsee, Hasan S.

    2014-10-01

    Superconducting cavities have been operating routinely in a variety of accelerators with a range of demanding applications. With the success of completed projects, niobium cavities have become an enabling technology, offering upgrade paths for existing facilities and pushing frontier accelerators for nuclear physics, high-energy physics, materials science, and the life sciences. With continued progress in basic understanding of radio-frequency superconductivity, the performance of cavities has steadily improved to approach theoretical capabilities.

  13. CEBAF: Accelerating cavities look good

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1990-09-15

    The first assembled pairs of superconducting accelerating cavities from German supplier Interatom for the Continuous Electron Beam Accelerator Facility, Newport News, Virginia, have exceeded performance specifications.

  14. CEBAF: Accelerating cavities look good

    International Nuclear Information System (INIS)

    Anon.

    1990-01-01

    The first assembled pairs of superconducting accelerating cavities from German supplier Interatom for the Continuous Electron Beam Accelerator Facility, Newport News, Virginia, have exceeded performance specifications

  15. UET: a database of evolutionarily-predicted functional determinants of protein sequences that cluster as functional sites in protein structures.

    Science.gov (United States)

    Lua, Rhonald C; Wilson, Stephen J; Konecki, Daniel M; Wilkins, Angela D; Venner, Eric; Morgan, Daniel H; Lichtarge, Olivier

    2016-01-04

    The structure and function of proteins underlie most aspects of biology and their mutational perturbations often cause disease. To identify the molecular determinants of function as well as targets for drugs, it is central to characterize the important residues and how they cluster to form functional sites. The Evolutionary Trace (ET) achieves this by ranking the functional and structural importance of the protein sequence positions. ET uses evolutionary distances to estimate functional distances and correlates genotype variations with those in the fitness phenotype. Thus, ET ranks are worse for sequence positions that vary among evolutionarily closer homologs but better for positions that vary mostly among distant homologs. This approach identifies functional determinants, predicts function, guides the mutational redesign of functional and allosteric specificity, and interprets the action of coding sequence variations in proteins, people and populations. Now, the UET database offers pre-computed ET analyses for the protein structure databank, and on-the-fly analysis of any protein sequence. A web interface retrieves ET rankings of sequence positions and maps results to a structure to identify functionally important regions. This UET database integrates several ways of viewing the results on the protein sequence or structure and can be found at http://mammoth.bcm.tmc.edu/uet/. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

  16. Radionuclide migration in groundwater at a low-level waste disposal site: a comparison of predictive performance modeling versus field observations

    International Nuclear Information System (INIS)

    Robertson, D.E.; Myers, D.A.; Bergeron, M.P.; Champ, D.R.; Killey, R.W.D.; Moltyaner, G.L.; Young, J.L.

    1985-08-01

    This paper describes a project which is structured to test the concept of modeling a shallow land low-level waste burial site. The project involves a comparison of the actual observed radionuclide migration in groundwaters at a 30-year-old well-monitored field site with the results of predictive transport modeling. The comparison is being conducted as a cooperative program with the Atomic Energy of Canada Ltd. (AECL) at the low-level waste management area at the Chalk River Nuclear Laboratories, Ontario, Canada. A joint PNL-AECL field inviestigation was conducted in 1983 and 1984 to complement the existing extensive data base on actual radionuclide migration. Predictive transport modeling is currently being conducted for this site; first, as if it were a new location being considered for a low-level waste shallow-land burial site and only minimal information about the site were available, and second, utilizing the extensive data base available for the site. The modeling results will then be compared with the empirical observations to provide insight into the level of effort needed to reasonably predict the spacial and temporal movement of radionuclides in the groundwater enviroment. 8 refs., 5 figs.,

  17. Radionuclide migration in groundwater at a low-level waste disposal site: a comparison of predictive performance modeling versus field observations

    International Nuclear Information System (INIS)

    Robertson, D.E.; Myers, D.A.; Abel, K.H.; Bergeron, M.P.; Champ, D.R.; Killey, R.W.D.; Moltyaner, G.L.; Young, J.L.

    1986-01-01

    This paper describes a project which is structured to test the concept of modeling a shallow land low-level waste burial site. The project involves a comparison of the actual observed radionuclide migration in groundwaters at a 30-year old well-monitored field site with the results of predictive transport modeling. The comparison is being conducted as a cooperative program with the Atomic Energy of Canada Ltd. (AECL) at the low-level waste management area at the Chalk River Nuclear Laboratories, Ontario, Canada. A joint PNL-AECL field investigation was conducted in 1983 and 1984 to compliment the existing extensive data base on actual radionuclide migration. Predictive transport modeling is currently being conducted for this site; first, as if it were a new location being considered for a low-level waste shallow-land burial site and only minimal information about the site were available, and second, utilizing the extensive data base available for the site. The modeling results will then be compared with the level of effort needed to reasonably predict the spacial and temporal movement of radionuclides in the groundwater environment

  18. Development and Validation of a Preprocedural Risk Score to Predict Access Site Complications After Peripheral Vascular Interventions Based on the Vascular Quality Initiative Database

    Directory of Open Access Journals (Sweden)

    Daniel Ortiz

    2016-01-01

    Full Text Available Purpose: Access site complications following peripheral vascular intervention (PVI are associated with prolonged hospitalization and increased mortality. Prediction of access site complication risk may optimize PVI care; however, there is no tool designed for this. We aimed to create a clinical scoring tool to stratify patients according to their risk of developing access site complications after PVI. Methods: The Society for Vascular Surgery’s Vascular Quality Initiative database yielded 27,997 patients who had undergone PVI at 131 North American centers. Clinically and statistically significant preprocedural risk factors associated with in-hospital, post-PVI access site complications were included in a multivariate logistic regression model, with access site complications as the outcome variable. A predictive model was developed with a random sample of 19,683 (70% PVI procedures and validated in 8,314 (30%. Results: Access site complications occurred in 939 (3.4% patients. The risk tool predictors are female gender, age > 70 years, white race, bedridden ambulatory status, insulin-treated diabetes mellitus, prior minor amputation, procedural indication of claudication, and nonfemoral arterial access site (model c-statistic = 0.638. Of these predictors, insulin-treated diabetes mellitus and prior minor amputation were protective of access site complications. The discriminatory power of the risk model was confirmed by the validation dataset (c-statistic = 0.6139. Higher risk scores correlated with increased frequency of access site complications: 1.9% for low risk, 3.4% for moderate risk and 5.1% for high risk. Conclusions: The proposed clinical risk score based on eight preprocedural characteristics is a tool to stratify patients at risk for post-PVI access site complications. The risk score may assist physicians in identifying patients at risk for access site complications and selection of patients who may benefit from bleeding avoidance

  19. Quantification by qPCR of Pathobionts in Chronic Periodontitis: Development of Predictive Models of Disease Severity at Site-Specific Level

    OpenAIRE

    Tomás, Inmaculada; Regueira-Iglesias, Alba; López, Maria; Arias-Bujanda, Nora; Novoa, Lourdes; Balsa-Castro, Carlos; Tomás, Maria

    2017-01-01

    Currently, there is little evidence available on the development of predictive models for the diagnosis or prognosis of chronic periodontitis based on the qPCR quantification of subgingival pathobionts. Our objectives were to: (1) analyze and internally validate pathobiont-based models that could be used to distinguish different periodontal conditions at site-specific level within the same patient with chronic periodontitis; (2) develop nomograms derived from predictive models. Subgingival pl...

  20. Multipacting studies in elliptic SRF cavities

    Science.gov (United States)

    Prakash, Ram; Jana, Arup Ratan; Kumar, Vinit

    2017-09-01

    Multipacting is a resonant process, where the number of unwanted electrons resulting from a parasitic discharge rapidly grows to a larger value at some specific locations in a radio-frequency cavity. This results in a degradation of the cavity performance indicators (e.g. the quality factor Q and the maximum achievable accelerating gradient Eacc), and in the case of a superconducting radiofrequency (SRF) cavity, it leads to a quenching of superconductivity. Numerical simulations are essential to pre-empt the possibility of multipacting in SRF cavities, such that its design can be suitably refined to avoid this performance limiting phenomenon. Readily available computer codes (e.g.FishPact, MultiPac,CST-PICetc.) are widely used to simulate the phenomenon of multipacting in such cases. Most of the contemporary two dimensional (2D) codes such as FishPact, MultiPacetc. are unable to detect the multipacting in elliptic cavities because they use a simplistic secondary emission model, where it is assumed that all the secondary electrons are emitted with same energy. Some three-dimensional (3D) codes such as CST-PIC, which use a more realistic secondary emission model (Furman model) by following a probability distribution for the emission energy of secondary electrons, are able to correctly predict the occurrence of multipacting. These 3D codes however require large data handling and are slower than the 2D codes. In this paper, we report a detailed analysis of the multipacting phenomenon in elliptic SRF cavities and development of a 2D code to numerically simulate this phenomenon by employing the Furman model to simulate the secondary emission process. Since our code is 2D, it is faster than the 3D codes. It is however as accurate as the contemporary 3D codes since it uses the Furman model for secondary emission. We have also explored the possibility to further simplify the Furman model, which enables us to quickly estimate the growth rate of multipacting without

  1. Cancer of the oral cavity

    International Nuclear Information System (INIS)

    Wang, C.C.

    1987-01-01

    Squamous cell carcinomas of the oral cavity are curable. When early tumor (T1 and T2) is diagnosed and treated, cure rates by surgery or irradiation are high. The choice of therapeutic modalities for these lesions is complex and depends on the site of origin and size of the tumor, the presence or absence of nodal metastases, and the age, physical, medical, and socioeconomic status of the patient. Other factors include the willingness of the patient to return for a protracted course of radiation therapy, the skill of the physician, and the relative morbidity and cosmesis of the two forms of treatment. In general, surgery may be considered for early (T1) lesions if the deformity resulting from surgery is minimal. If resection involves major morbidity, such as a deformity that alters cosmesis or the function of the speech and swallowing mechanisms, then radiation therapy is preferred. For medium-sized (T2) tumors, superficial radiation therapy is the treatment of choice, for it controls the disease and preserves normal function and anatomy. Surgery is reserved for radiation failures. Extensive disease (T3 and T4) often associated with bone and muscle involvement and cervical lymph node metastases is rarely curable by radiation therapy or surgery alone; a combined approach using radiation therapy and surgery is therefore the procedure of choice

  2. Single and Coupled Nanobeam Cavities

    DEFF Research Database (Denmark)

    Ivinskaya, Aliaksandra; Lavrinenko, Andrei; Shyroki, Dzmitry M.

    2013-01-01

    for analysis and design of photonic crystal devices, such as 2D ring resonators for filters, single and coupled nanobeam cavities, birefringence in photonic crystal cavities, threshold analysis in photonic crystal lasers, gap solitons in photonic crystals, novel photonic atolls, dynamic characteristics...

  3. In-vivo autofluorescence diagnosis of the cancer of oral cavity

    International Nuclear Information System (INIS)

    Majumder, S.K.; Ghosh, N.; Mohanty, S.K.; Gupta, P.K.

    2000-01-01

    The results of an in-vivo study carried out on 25 patients with histologically confirmed squamous cell carcinoma (SCC) of the oral cavity are reported. Spectra from different sites of the oral cavity were recorded using a N 2 laser based portable fluorimeter developed in-house. The spectral data acquisition was computer controlled. On an average, 5 spectra from the SCC tissue sites and 4 spectra from the visually normal tissue sites were recorded.The autofluorescence spectra was recorded from different cancerous and normal sites of the oral cavity of a patient

  4. Technical tasks in superconducting cavities

    Energy Technology Data Exchange (ETDEWEB)

    Saito, Kenji [High Energy Accelerator Research Organization, Tsukuba, Ibaraki (Japan)

    1997-11-01

    The feature of superconducting rf cavities is an extremely small surface resistance on the wall. It brings a large energy saving in the operation, even those are cooled with liquid helium. That also makes possible to operate themselves in a higher field gradient comparing to normal conducting cavities, and brings to make accelerators compact. These merits are very important for the future accelerator engineering which is planed at JAERI for the neutron material science and nuclear waste transmutation. This machine is a high intensity proton linac and uses sc cavities in the medium and high {beta} sections. In this paper, starting R and D of proton superconducting cavities, several important technical points which come from the small surface resistance of sc cavities, are present to succeed it and also differences between the medium and high - {beta} structures are discussed. (author)

  5. Pacer processing: cavity inventory relationships

    International Nuclear Information System (INIS)

    Dietz, R.J.; Gritzo, L.A.

    1975-09-01

    The pacer cavity and its associated primary power loop comprise a recirculating system in which materials are introduced by a series of thermonuclear explosions while debris is continuously removed by radioactive decay, sorption phenomena, and deliberate processing. Safe, reliable, and economical realization of the Pacer concept depends on the removal and control of both noxious and valuable by-products of the fusion reaction. Mathematical relationships are developed that describe the quantities of materials that are introduced into the Pacer cavity by a series of discrete events and are removed continuously by processing and decay. An iterative computer program based on these relationships is developed that allows both the total cavity inventory and the amounts of important individual species to be determined at any time during the lifetime of the cavity in order to establish the effects of the thermonuclear event, the cavity, the flow, and various processing parameters on Pacer design requirements

  6. pLoc-mAnimal: predict subcellular localization of animal proteins with both single and multiple sites.

    Science.gov (United States)

    Cheng, Xiang; Zhao, Shu-Guang; Lin, Wei-Zhong; Xiao, Xuan; Chou, Kuo-Chen

    2017-11-15

    Cells are deemed the basic unit of life. However, many important functions of cells as well as their growth and reproduction are performed via the protein molecules located at their different organelles or locations. Facing explosive growth of protein sequences, we are challenged to develop fast and effective method to annotate their subcellular localization. However, this is by no means an easy task. Particularly, mounting evidences have indicated proteins have multi-label feature meaning that they may simultaneously exist at, or move between, two or more different subcellular location sites. Unfortunately, most of the existing computational methods can only be used to deal with the single-label proteins. Although the 'iLoc-Animal' predictor developed recently is quite powerful that can be used to deal with the animal proteins with multiple locations as well, its prediction quality needs to be improved, particularly in enhancing the absolute true rate and reducing the absolute false rate. Here we propose a new predictor called 'pLoc-mAnimal', which is superior to iLoc-Animal as shown by the compelling facts. When tested by the most rigorous cross-validation on the same high-quality benchmark dataset, the absolute true success rate achieved by the new predictor is 37% higher and the absolute false rate is four times lower in comparison with the state-of-the-art predictor. To maximize the convenience of most experimental scientists, a user-friendly web-server for the new predictor has been established at http://www.jci-bioinfo.cn/pLoc-mAnimal/, by which users can easily get their desired results without the need to go through the complicated mathematics involved. xxiao@gordonlifescience.org or kcchou@gordonlifescience.org. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

  7. How well do regional or national Breeding Bird Survey data predict songbird population trends at an intact boreal site?

    Directory of Open Access Journals (Sweden)

    Craig S. Machtans

    2014-06-01

    Full Text Available A study to monitor boreal songbird trends was initiated in 1998 in a relatively undisturbed and remote part of the boreal forest in the Northwest Territories, Canada. Eight years of point count data were collected over the 14 years of the study, 1998-2011. Trends were estimated for 50 bird species using generalized linear mixed-effects models, with random effects to account for temporal (repeat sampling within years and spatial (stations within stands autocorrelation and variability associated with multiple observers. We tested whether regional and national Breeding Bird Survey (BBS trends could, on average, predict trends in our study area. Significant increases in our study area outnumbered decreases by 12 species to 6, an opposite pattern compared to Alberta (6 versus 15, respectively and Canada (9 versus 20. Twenty-two species with relatively precise trend estimates (precision to detect > 30% decline in 10 years; observed SE ≤ 3.7%/year showed nonsignificant trends, similar to Alberta (24 and Canada (20. Precision-weighted trends for a sample of 19 species with both reliable trends at our site and small portions of their range covered by BBS in Canada were, on average, more negative for Alberta (1.34% per year lower and for Canada (1.15% per year lower relative to Fort Liard, though 95% credible intervals still contained zero. We suggest that part of the differences could be attributable to local resource pulses (insect outbreak. However, we also suggest that the tendency for BBS route coverage to disproportionately sample more southerly, developed areas in the boreal forest could result in BBS trends that are not representative of range-wide trends for species whose range is centred farther north.

  8. Aero-Heating of Shallow Cavities in Hypersonic Freestream Flow

    Science.gov (United States)

    Everhart, Joel L.; Berger, Karen T.; Merski, N. R., Jr.; Woods, William A.; Hollingsworth, Kevin E.; Hyatt, Andrew; Prabhu, Ramadas K.

    2010-01-01

    The purpose of these experiments and analysis was to augment the heating database and tools used for assessment of impact-induced shallow-cavity damage to the thermal protection system of the Space Shuttle Orbiter. The effect of length and depth on the local heating disturbance of rectangular cavities tested at hypersonic freestream conditions has been globally assessed using the two-color phosphor thermography method. These rapid-response experiments were conducted in the Langley 31-Inch Mach 10 Tunnel and were initiated immediately prior to the launch of STS-114, the initial flight in the Space Shuttle Return-To-Flight Program, and continued during the first week of the mission. Previously-designed and numerically-characterized blunted-nose baseline flat plates were used as the test surfaces. Three-dimensional computational predictions of the entire model geometry were used as a check on the design process and the two-dimensional flow assumptions used for the data analysis. The experimental boundary layer state conditions were inferred using the measured heating distributions on a no-cavity test article. Two test plates were developed, each containing 4 equally-spaced spanwise-distributed cavities. The first test plate contained cavities with a constant length-to-depth ratio of 8 with design point depth-to-boundary-layer-thickness ratios of 0.1, 0.2, 0.35, and 0.5. The second test plate contained cavities with a constant design point depth-to-boundary-layer-thickness ratio of 0.35 with length-to-depth ratios of 8, 12, 16, and 20. Cavity design parameters and the test condition matrix were established using the computational predictions. Preliminary results indicate that the floor-averaged Bump Factor (local heating rate nondimensionalized by upstream reference) at the tested conditions is approximately 0.3 with a standard deviation of 0.04 for laminar-in/laminar-out conditions when the cavity length-to-boundary-layer thickness is between 2.5 and 10 and for

  9. Prediction of Pseudo relative velocity response spectra at Yucca Mountain for underground nuclear explosions conducted in the Pahute Mesa testing area at the Nevada testing site; Yucca Mountain Site Characterization Project

    Energy Technology Data Exchange (ETDEWEB)

    Phillips, J.S.

    1991-12-01

    The Yucca Mountain Site Characterization Project (YMP), managed by the Office of Geologic Disposal of the Office of Civilian Radioactive Waste Management of the US Department of Energy, is examining the feasibility of siting a repository for commercial, high-level nuclear wastes at Yucca Mountain on and adjacent to the Nevada Test Site (NTS). This work, intended to extend our understanding of the ground motion at Yucca Mountain resulting from testing of nuclear weapons on the NTS, was funded by the Yucca Mountain project and the Military Applications Weapons Test Program. This report summarizes one aspect of the weapons test seismic investigations conducted in FY88. Pseudo relative velocity response spectra (PSRV) have been calculated for a large body of surface ground motions generated by underground nuclear explosions. These spectra have been analyzed and fit using multiple linear regression techniques to develop a credible prediction technique for surface PSRVs. In addition, a technique for estimating downhole PSRVs at specific stations is included. A data summary, data analysis, prediction development, prediction evaluation, software summary and FORTRAN listing of the prediction technique are included in this report.

  10. The cavity approach to parallel dynamics of Ising spins on a graph

    International Nuclear Information System (INIS)

    Neri, I; Bollé, D

    2009-01-01

    We use the cavity method to study the parallel dynamics of disordered Ising models on a graph. In particular, we derive a set of recursive equations in single-site probabilities of paths propagating along the edges of the graph. These equations are analogous to the cavity equations for equilibrium models and are exact on a tree. On graphs with exclusively directed edges we find an exact expression for the stationary distribution. We present the phase diagrams for an Ising model on an asymmetric Bethe lattice and for a neural network with Hebbian interactions on an asymmetric scale-free graph. For graphs with a nonzero fraction of symmetric edges the equations can be solved for a finite number of time steps. Theoretical predictions are confirmed by simulations. Using a heuristic method the cavity equations are extended to a set of equations that determine the marginals of the stationary distribution of Ising models on graphs with a nonzero fraction of symmetric edges. The results from this method are discussed and compared with simulations

  11. Frequency-feedback cavity enhanced spectrometer

    Science.gov (United States)

    Hovde, David Christian; Gomez, Anthony

    2015-08-18

    A spectrometer comprising an optical cavity, a light source capable of producing light at one or more wavelengths transmitted by the cavity and with the light directed at the cavity, a detector and optics positioned to collect light transmitted by the cavity, feedback electronics causing oscillation of amplitude of the optical signal on the detector at a frequency that depends on cavity losses, and a sensor measuring the oscillation frequency to determine the cavity losses.

  12. Nonlocal Intracranial Cavity Extraction

    Science.gov (United States)

    Manjón, José V.; Eskildsen, Simon F.; Coupé, Pierrick; Romero, José E.; Collins, D. Louis; Robles, Montserrat

    2014-01-01

    Automatic and accurate methods to estimate normalized regional brain volumes from MRI data are valuable tools which may help to obtain an objective diagnosis and followup of many neurological diseases. To estimate such regional brain volumes, the intracranial cavity volume (ICV) is often used for normalization. However, the high variability of brain shape and size due to normal intersubject variability, normal changes occurring over the lifespan, and abnormal changes due to disease makes the ICV estimation problem challenging. In this paper, we present a new approach to perform ICV extraction based on the use of a library of prelabeled brain images to capture the large variability of brain shapes. To this end, an improved nonlocal label fusion scheme based on BEaST technique is proposed to increase the accuracy of the ICV estimation. The proposed method is compared with recent state-of-the-art methods and the results demonstrate an improved performance both in terms of accuracy and reproducibility while maintaining a reduced computational burden. PMID:25328511

  13. Nonlocal Intracranial Cavity Extraction

    Directory of Open Access Journals (Sweden)

    José V. Manjón

    2014-01-01

    Full Text Available Automatic and accurate methods to estimate normalized regional brain volumes from MRI data are valuable tools which may help to obtain an objective diagnosis and followup of many neurological diseases. To estimate such regional brain volumes, the intracranial cavity volume (ICV is often used for normalization. However, the high variability of brain shape and size due to normal intersubject variability, normal changes occurring over the lifespan, and abnormal changes due to disease makes the ICV estimation problem challenging. In this paper, we present a new approach to perform ICV extraction based on the use of a library of prelabeled brain images to capture the large variability of brain shapes. To this end, an improved nonlocal label fusion scheme based on BEaST technique is proposed to increase the accuracy of the ICV estimation. The proposed method is compared with recent state-of-the-art methods and the results demonstrate an improved performance both in terms of accuracy and reproducibility while maintaining a reduced computational burden.

  14. Photoprocesses of photosensitizing drugs within cyclodextrin cavities.

    Science.gov (United States)

    Monti, Sandra; Sortino, Salvatore

    2002-09-01

    Recently some interest has been focused on the photobehavior of CD-drug inclusion complexes in relation to the problem of the biological photosensitization by drugs. This review is dedicated to the illustration of the mechanistic aspects of the photoprocesses occurring in some non-steroidal anti-inflammatory drugs (NSAIDs), with photosensitising side effects, within CD cavities. It is shown how the photobehavior of the CD-drug associates can help to model the photoreactivity of the drugs in biological sites. The limitations for the use of CDs as protective systems for the clinical administration of photosensitising drugs is also evidenced.

  15. Artificial neural network approach to predict surgical site infection after free-flap reconstruction in patients receiving surgery for head and neck cancer.

    Science.gov (United States)

    Kuo, Pao-Jen; Wu, Shao-Chun; Chien, Peng-Chen; Chang, Shu-Shya; Rau, Cheng-Shyuan; Tai, Hsueh-Ling; Peng, Shu-Hui; Lin, Yi-Chun; Chen, Yi-Chun; Hsieh, Hsiao-Yun; Hsieh, Ching-Hua

    2018-03-02

    The aim of this study was to develop an effective surgical site infection (SSI) prediction model in patients receiving free-flap reconstruction after surgery for head and neck cancer using artificial neural network (ANN), and to compare its predictive power with that of conventional logistic regression (LR). There were 1,836 patients with 1,854 free-flap reconstructions and 438 postoperative SSIs in the dataset for analysis. They were randomly assigned tin ratio of 7:3 into a training set and a test set. Based on comprehensive characteristics of patients and diseases in the absence or presence of operative data, prediction of SSI was performed at two time points (pre-operatively and post-operatively) with a feed-forward ANN and the LR models. In addition to the calculated accuracy, sensitivity, and specificity, the predictive performance of ANN and LR were assessed based on area under the curve (AUC) measures of receiver operator characteristic curves and Brier score. ANN had a significantly higher AUC (0.892) of post-operative prediction and AUC (0.808) of pre-operative prediction than LR (both P <0.0001). In addition, there was significant higher AUC of post-operative prediction than pre-operative prediction by ANN (p<0.0001). With the highest AUC and the lowest Brier score (0.090), the post-operative prediction by ANN had the highest overall predictive performance. The post-operative prediction by ANN had the highest overall performance in predicting SSI after free-flap reconstruction in patients receiving surgery for head and neck cancer.

  16. Multi-site laser Doppler flowmetry for assessing collateral flow in experimental ischemic stroke: Validation of outcome prediction with acute MRI.

    Science.gov (United States)

    Cuccione, Elisa; Versace, Alessandro; Cho, Tae-Hee; Carone, Davide; Berner, Lise-Prune; Ong, Elodie; Rousseau, David; Cai, Ruiyao; Monza, Laura; Ferrarese, Carlo; Sganzerla, Erik P; Berthezène, Yves; Nighoghossian, Norbert; Wiart, Marlène; Beretta, Simone; Chauveau, Fabien

    2017-06-01

    High variability in infarct size is common in experimental stroke models and affects statistical power and validity of neuroprotection trials. The aim of this study was to explore cerebral collateral flow as a stratification factor for the prediction of ischemic outcome. Transient intraluminal occlusion of the middle cerebral artery was induced for 90 min in 18 Wistar rats. Cerebral collateral flow was assessed intra-procedurally using multi-site laser Doppler flowmetry monitoring in both the lateral middle cerebral artery territory and the borderzone territory between middle cerebral artery and anterior cerebral artery. Multi-modal magnetic resonance imaging was used to assess acute ischemic lesion (diffusion-weighted imaging, DWI), acute perfusion deficit (time-to-peak, TTP), and final ischemic lesion at 24 h. Infarct volumes and typology at 24 h (large hemispheric versus basal ganglia infarcts) were predicted by both intra-ischemic collateral perfusion and acute DWI lesion volume. Collateral flow assessed by multi-site laser Doppler flowmetry correlated with the corresponding acute perfusion deficit using TTP maps. Multi-site laser Doppler flowmetry monitoring was able to predict ischemic outcome and perfusion deficit in good agreement with acute MRI. Our results support the additional value of cerebral collateral flow monitoring for outcome prediction in experimental ischemic stroke, especially when acute MRI facilities are not available.

  17. Prediction of Pseudo relative velocity response spectra at Yucca Mountain for underground nuclear explosions conducted in the Pahute Mesa testing area at the Nevada testing site

    International Nuclear Information System (INIS)

    Phillips, J.S.

    1991-12-01

    The Yucca Mountain Site Characterization Project (YMP), managed by the Office of Geologic Disposal of the Office of Civilian Radioactive Waste Management of the US Department of Energy, is examining the feasibility of siting a repository for commercial, high-level nuclear wastes at Yucca Mountain on and adjacent to the Nevada Test Site (NTS). This work, intended to extend our understanding of the ground motion at Yucca Mountain resulting from testing of nuclear weapons on the NTS, was funded by the Yucca Mountain project and the Military Applications Weapons Test Program. This report summarizes one aspect of the weapons test seismic investigations conducted in FY88. Pseudo relative velocity response spectra (PSRV) have been calculated for a large body of surface ground motions generated by underground nuclear explosions. These spectra have been analyzed and fit using multiple linear regression techniques to develop a credible prediction technique for surface PSRVs. In addition, a technique for estimating downhole PSRVs at specific stations is included. A data summary, data analysis, prediction development, prediction evaluation, software summary and FORTRAN listing of the prediction technique are included in this report

  18. Predictive mutagenesis of ligation-independent cloning (LIC) vectors for protein expression and site-specific chemical conjugation

    DEFF Research Database (Denmark)

    Vernet, Erik; Sauer, Jørgen; Andersen, Peter Andreas

    2011-01-01

    Ligation-independent cloning (LIC) allows for cloning of DNA constructs independent of insert restriction sites and ligases. However, any required mutations are typically introduced by additional, time-consuming steps. We present a rapid, inexpensive method for mutagenesis in the 5' LIC site...

  19. Cavity and goaf control

    Energy Technology Data Exchange (ETDEWEB)

    Stassen, P

    1978-01-01

    A summary of stowing, including a definition, calculation of stowing material requirements and settling of packs is given. A) Stowing using dirt found locally - the dirt bands in the seam - the use of ripping dirt brought down by the scraper loader and used for packing purposes and the construction of dummy roads. B) Control of cavities by leaving short, thick props and timber chocks in place. C) Stowing methods involving imported firt: packing by hand, use of scraper loaders, slinger stowing and control led-gravity stowing. D) Pneumatic stowing: describes the various types of machine and their scope; pipelines, their installation and cost price; pneumatic stowing in conjunc tion with powered supports; the use of crusher-stowers for stowing ripping dirt; construction of anhydrite packs by means of a pneumatic stower. E) Hydraulic stowing: how it works, the materials involved, utilization conditions, the surface storage post, pipes, stoppings with stowed material, water removal, rates of hydraulic stowing, results of theoretical studies, and the use of hydraulic stowing in the metal-mines. F) Pumped packs: how they work, how the packs are installed, the strength of the packs and their various uses. G) Caving: describes the principle of caving, support patterns, caving with packs and makes a comparison between caving and stowing. H) Comparison between the various methods of stowing compares pneumatic with hydraulic stowing methods; compares packing by hand and mechanical stowing compares surface subsidence in terms of the method of goaf used underground. An appendix gives details of equipment used. (15 refs.) (In French)

  20. Evaluation of proposed shallow-land burial sites using the PRESTO-II [Prediction of Radiation Effects from Shallow Trench Operations] methodology and code

    International Nuclear Information System (INIS)

    Fields, D.E.; Uslu, I.; Yalcintas, M.G.

    1987-01-01

    PRESTO-II (Prediction of Radiation Effects from Shallow Trench Operations) is a computer code designed to evaluate possible doses and risks (health effects) from shallow-land burial sites. The model is intended to serve as a non-site-specific screening model for assessing radionuclide transport, ensuing exposure, and health impacts to a static local population for a 1000-year period following the end of disposal operations. Human exposure scenarios include normal releases (including leaching and operational spillage), human intrusion, and limited site farming or reclamation. Pathways and processes of transport from the trench to an individual or population include ground-water transport, overland flow, erosion, surface water dilution, suspension, atmospheric transport and deposition, inhalation, external exposure, and ingestion of contaminated beef, milk, crops, and water. The proposed waste disposal area in Koteyli, Balikesir, Turkey, has been evaluated using the PRESTO-II methodology. The results have been compared to those obtained for the Barnwell, South Carolina, site. Dose estimates for both sites are below regulatory limits, for the release and exposure scenarios considered. The doses for the sites are comparable, with slightly higher estimates obtained for the Turkish site. 7 refs., 1 tab

  1. Prediction and characterization of novel epitopes of serotype A foot-and-mouth disease viruses circulating in East Africa using site-directed mutagenesis

    Science.gov (United States)

    Bari, Fufa Dawo; Parida, Satya; Asfor, Amin S.; Haydon, Daniel T.; Reeve, Richard; Paton, David J.

    2015-01-01

    Epitopes on the surface of the foot-and-mouth disease virus (FMDV) capsid have been identified by monoclonal antibody (mAb) escape mutant studies leading to the designation of four antigenic sites in serotype A FMDV. Previous work focused on viruses isolated mainly from Asia, Europe and Latin America. In this study we report on the prediction of epitopes in African serotype A FMDVs and testing of selected epitopes using reverse genetics. Twenty-four capsid amino acid residues were predicted to be of antigenic significance by analysing the capsid sequences (n = 56) using in silico methods, and six residues by correlating capsid sequence with serum–virus neutralization data. The predicted residues were distributed on the surface-exposed capsid regions, VP1–VP3. The significance of residue changes at eight of the predicted epitopes was tested by site-directed mutagenesis using a cDNA clone resulting in the generation of 12 mutant viruses involving seven sites. The effect of the amino acid substitutions on the antigenic nature of the virus was assessed by virus neutralization (VN) test. Mutations at four different positions, namely VP1-43, VP1-45, VP2-191 and VP3-132, led to significant reduction in VN titre (P value = 0.05, 0.05, 0.001 and 0.05, respectively). This is the first time, to our knowledge, that the antigenic regions encompassing amino acids VP1-43 to -45 (equivalent to antigenic site 3 in serotype O), VP2-191 and VP3-132 have been predicted as epitopes and evaluated serologically for serotype A FMDVs. This identifies novel capsid epitopes of recently circulating serotype A FMDVs in East Africa. PMID:25614587

  2. Loggerhead oral cavity morphometry study

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Standard external morphometrics and internal oral cavity morphometrics data were collected on wild and captive reared loggerhead sea turtles in size classes ranging...

  3. Niobium LEP 2 accelerating cavities

    CERN Multimedia

    An accelerating cavity from LEP. This could be cut open to show the layer of niobium on the inside. Operating at 4.2 degrees above absolute zero, the niobium is superconducting and carries an accelerating field of 6 million volts per metre with negligible losses. Each cavity has a surface of 6 m2. The niobium layer is only 1.2 microns thick, ten times thinner than a hair. Such a large area had never been coated to such a high accuracy. A speck of dust could ruin the performance of the whole cavity so the work had to be done in an extremely clean environment. These challenging requirements pushed European industry to new achievements. 256 of these cavities were used in an upgrade of the LEP accelerator to double the energy of the particle beams.

  4. Bistability of Cavity Magnon Polaritons

    Science.gov (United States)

    Wang, Yi-Pu; Zhang, Guo-Qiang; Zhang, Dengke; Li, Tie-Fu; Hu, C.-M.; You, J. Q.

    2018-01-01

    We report the first observation of the magnon-polariton bistability in a cavity magnonics system consisting of cavity photons strongly interacting with the magnons in a small yttrium iron garnet (YIG) sphere. The bistable behaviors emerged as sharp frequency switchings of the cavity magnon polaritons (CMPs) and related to the transition between states with large and small numbers of polaritons. In our experiment, we align, respectively, the [100] and [110] crystallographic axes of the YIG sphere parallel to the static magnetic field and find very different bistable behaviors (e.g., clockwise and counter-clockwise hysteresis loops) in these two cases. The experimental results are well fitted and explained as being due to the Kerr nonlinearity with either a positive or negative coefficient. Moreover, when the magnetic field is tuned away from the anticrossing point of CMPs, we observe simultaneous bistability of both magnons and cavity photons by applying a drive field on the lower branch.

  5. Design of rf conditioner cavities

    International Nuclear Information System (INIS)

    Govil, R.; Rimmer, R.A.; Sessler, A.; Kirk, H.G.

    1992-06-01

    Theoretical studies are made of radio frequency structures which can be used to condition electron beams so as to greatly reduce the stringent emittance requirements for successful lasing in a free-electron laser. The basic strategy of conditioning calls for modulating an electron beam in the transverse dimension, by a periodic focusing channel, while it traverses a series of rf cavities, each operating in a TM 210 mode. In this paper, we analyze the cavities both analytically and numerically (using MAFIA simulations). We find that when cylindrical symmetry is broken the coupling impedance can be greatly enhanced. We present results showing various performance characteristics as a function of cavity parameters, as well as possible designs for conditioning cavities

  6. SRF Cavity Fabrication and Materials

    CERN Document Server

    Singer, W

    2014-07-17

    The technological and metallurgical requirements of material for highgradient superconducting cavities are described. High-purity niobium, as the preferred metal for the fabrication of superconducting accelerating cavities, should meet exact specifications. The content of interstitial impurities such as oxygen, nitrogen, and carbon must be below 10μg/g. The hydrogen content should be kept below 2μg/g to prevent degradation of the Q-value under certain cool-down conditions. The material should be free of flaws (foreign material inclusions or cracks and laminations) that can initiate a thermal breakdown. Defects may be detected by quality control methods such as eddy current scanning and identified by a number of special methods. Conventional and alternative cavity fabrication methods are reviewed. Conventionally, niobium cavities are fabricated from sheet niobium by the formation of half-cells by deep drawing, followed by trim machining and Electron-Beam Welding (EBW). The welding of half-cells is a delicate...

  7. Microscopic investigation of RF surfaces of 3 GHz niobium accelerator cavities following RF processing

    International Nuclear Information System (INIS)

    Graber, J.; Barnes, P.; Flynn, T.; Kirchgessner, J.; Knobloch, J.; Moffat, D.; Muller, H.; Padamsee, H.; Sears, J.

    1993-01-01

    RF processing of Superconducting accelerating cavities is achieved through a change in the electron field emission (FE) characteristics of the RF surface. The authors have examined the RF surfaces of several single-cell 3 GHz cavities, following RF processing, in a Scanning Electron Microscope (SEM). The RF processing sessions included both High Peak Power (P ≤ 50 kW) pulsed processing, and low power (≤ 20 W) continuous wave processing. The experimental apparatus also included a thermometer array on the cavity outer wall, allowing temperature maps to characterize the emission before and after RF processing gains. Multiple sites have been located in cavities which showed improvements in cavity behavior due to RF processing. Several SEM-located sites can be correlated with changes in thermometer signals, indicating a direct relationship between the surface site and emission reduction due to RF processing. Information gained from the SEM investigations and thermometry are used to enhance the theoretical model of RF processing

  8. Radiotherapy for Oral Cavity Cancer

    International Nuclear Information System (INIS)

    Shim, Jae Won

    1993-01-01

    Eighty five patients of oral cavity cancer, treated with radiation at the Department of Therapeutic Radiology, Korea Cancer Center Hospital, during the period from March 1985 to September 1990 were analyzed retrospectively. Among 85 patients, 37 patients were treated with radiation only and 48 patients were treated with radiation following surgery And 70 patients received external irradiation only by 60 Co with or without electron, the others were 7 patients for external irradiation plus interstitial implantation and 8 patients for external irradiation plus oral cone electron therapy. Primary sites were mobile tongue for 40 patients, mouth floor for 17 patients, palate for 12 patients, gingiva including retromolar trigone for 10 patients, buccal mucosa for 5 patients, and lip for 1 patient. According to pathologic classification, squamous cell carcinoma was the most common (77 patients). According to AJC TNM stage, stage I + II were 28 patients and stage III + IV were 57 patients. Acturial overall survival rate at 3 years was 43.9%, 3 year survival rates were 60.9% for stage I + II, and 23.1% for stage III + IV, respectively. As a prognostic factor, primary T stage was a significant factor (p<0.01). The others, age, location, lymph node metastasis, surgery, radiation dose, and cell differentiation were not statistically significant. Among those factors, radiation plus surgery was more effective than radiation only in T3 + T4 or in any N stage although it was not statistically sufficient(p<0.1). From those results, it was conclusive that definitive radiotherapy was more effective than surgery especially in the view of pertaining of anatomical integrity and function in early stage, and radiation plus surgery was considered to be better therapeutic tool in advanced stage

  9. Evaluation of three state-of-the-art metabolite prediction software packages (Meteor, MetaSite, and StarDrop) through independent and synergistic use.

    Science.gov (United States)

    T'jollyn, H; Boussery, K; Mortishire-Smith, R J; Coe, K; De Boeck, B; Van Bocxlaer, J F; Mannens, G

    2011-11-01

    The aim of this study was to evaluate three different metabolite prediction software packages (Meteor, MetaSite, and StarDrop) with respect to their ability to predict loci of metabolism and suggest relative proportions of metabolites. A chemically diverse test set of 22 compounds, for which in vivo human mass balance studies and metabolic schemes were available, was used as basis for the evaluation. Each software package was provided with structures of the parent compounds, and predicted metabolites were compared with experimentally determined human metabolites. The evaluation consisted of two parts. First, different settings within each software package were investigated and the software was evaluated using those settings determined to give the best prediction. Second, the three different packages were combined using the optimized settings to see whether a synergistic effect concerning the overall metabolism prediction could be established. The performance of the software was scored for both sensitivity and precision, taking into account the capabilities/limitations of the particular software. Varying results were obtained for the individual packages. Meteor showed a general tendency toward overprediction, and this led to a relatively low precision (∼35%) but high sensitivity (∼70%). MetaSite and StarDrop both exhibited a sensitivity and precision of ∼50%. By combining predictions obtained with the different packages, we found that increased precision can be obtained. We conclude that the state-of-the-art individual metabolite prediction software has many advantageous features but needs refinement to obtain acceptable prediction profiles. Synergistic use of different software packages could prove useful.

  10. SDS-Page and numerical analysis of Candida albicans from human oral cavity and other anatomical sites Eletroforese de proteínas totais e análise numérica de Candida albicans isolada da cavidade oral e outros sítios anatômicos de humanos

    Directory of Open Access Journals (Sweden)

    Cristina Crespo Rodrigues

    2004-06-01

    Full Text Available The aim of the present research was to evaluate the protein polymorphism degrees among forty-eight C. albicans isolates from fourteen anatomical sites of clinical patients by polyacrylamide gel electrophoresis (SDS-PAGE and numerical analyzes, in order to identify subspecies and their similarities in some infectious niches. Cell cultures were grown in YEPD medium, collected by centrifugation, and washed in cold saline solution. The whole-cell proteins were extracted by cell disruption using glass beads and submitted to SDS-PAGE technique. After electrophoresis, the protein bands were stained with coomassie-blue and analyzed by statistics package NTSYS-pc version 1.70 software. Similarity matrixes and dendrograms were generated by application of similarity coefficient of simple matching and UPGMA algorithm, respectively. The results obtained showed several C. albicans subtypes and their similarity degrees (80% to 100%. Such data showed that same patients may be infected by two or more C. albicans subtypes in certain anatomical sites (i.e. only in oral cavity of immunocompromised patients, blood, or tracheal secretion, or yet, two or more patients can be infected in identical anatomical sites (i.e. bronchial washing, urine, oral cavity, tracheal secretion, vaginal secretion, and healthy saliva with a same C. albicans subtype. However, two or more patients also can show infections in corresponding sites (i.e. oral cavity of immunocompromised patients, blood, oropharyngeal secretion, oral cavity, tracheal secretion, vaginal secretion, and healthy saliva by different C. albicans subtypes. Besides, two or more patients also can be infected with identical or different C. albicans subtypes in different anatomical sites (i.e.1. identical subtypes in vaginal secretion, tracheal secretion, and urine; abdominal secretion and spittle; drainage and oral cavity; catheter and healthy saliva - i.e.2. subtypes different in bronchial washing, oropharyngeal

  11. LEP Radio Frequency Copper Cavity

    CERN Multimedia

    The pulse of a particle accelerator. 128 of these radio frequency cavities were positioned around CERN's 27-kilometre LEP ring to accelerate electrons and positrons. The acceleration was produced by microwave electric oscillations at 352 MHz. The electrons and positrons were grouped into bunches, like beads on a string, and the copper sphere at the top stored the microwave energy between the passage of individual bunches. This made for valuable energy savings as it reduced the heat generated in the cavity.

  12. Characterization of nasal cavity-associated lymphoid tissue in ducks.

    Science.gov (United States)

    Kang, Haihong; Yan, Mengfei; Yu, Qinghua; Yang, Qian

    2014-05-01

    The nasal mucosa is involved in immune defense, as it is the first barrier for pathogens entering the body through the respiratory tract. The nasal cavity-associated lymphoid tissue (NALT), which is found in the mucosa of the nasal cavity, is considered to be the main mucosal immune inductive site in the upper respiratory tract. NALT has been found in humans and many mammals, which contributes to local and systemic immune responses after intranasal vaccination. However, there are very few data on NALT in avian species, especially waterfowl. For this study, histological sections of the nasal cavities of Cherry Valley ducks were used to examine the anatomical location and histological characteristics of NALT. The results showed that several lymphoid aggregates are present in the ventral wall of the nasal cavity near the choanal cleft, whereas several more lymphoid aggregates were located on both sides of the nasal septum. In addition, randomly distributed intraepithelial lymphocytes and isolated lymphoid follicles were observed in the regio respiratoria of the nasal cavity. There were also a few lymphoid aggregates located in the lamina propria of the regio vestibularis, which was covered with a stratified squamous epithelium. This study focused on the anatomic and histological characteristics of the nasal cavity of the duck and performed a systemic overview of NALT. This will be beneficial for further understanding of immune mechanisms after nasal vaccination and the development of effective nasal vaccines for waterfowls. Copyright © 2014 Wiley Periodicals, Inc.

  13. TESLA superconducting RF cavity development

    International Nuclear Information System (INIS)

    Koepke, K.

    1995-01-01

    The TESLA collaboration has made steady progress since its first official meeting at Cornell in 1990. The infrastructure necessary to assemble and test superconducting rf cavities has been installed at the TESLA Test Facility (TTF) at DESY. 5-cell, 1.3 GHz cavities have been fabricated and have reached accelerating fields of 25 MV/m. Full sized 9-cell copper cavities of TESLA geometry have been measured to verify the higher order modes present and to evaluate HOM coupling designs. The design of the TESLA 9-cell cavity has been finalized and industry has started delivery. Two prototype 9-cell niobium cavities in their first tests have reached accelerating fields of 10 MV/m and 15 MV/m in a vertical dewar after high peak power (HPP) conditioning. The first 12 m TESLA cryomodule that will house 8 9-cell cavities is scheduled to be delivered in Spring 1995. A design report for the TTF is in progress. The TTF test linac is scheduled to be commissioned in 1996/1997. (orig.)

  14. Comparison of Different Height–Diameter Modelling Techniques for Prediction of Site Productivity in Natural Uneven-Aged Pure Stands

    Directory of Open Access Journals (Sweden)

    Guangshuang Duan

    2018-01-01

    Full Text Available Reliable estimates of forest site productivity are a central element of forest management. The model of height-diameter relationship of dominant trees using algebraic difference approach (ADA is a commonly used method to measure site productivity of natural uneven-aged stands. However, the existing models of this method do not recognize site type or sample plot specific variability in height curves; thus, it cannot be effectively used to estimate site type or sample plot-related site productivity for natural uneven-aged stands. Two primary subject-specific approaches, ADA with dummy variable (DV (ADA + DV and ADA with combination of dummy variable and nonlinear mixed-effects modelling (CM (ADA + CM, were proposed for height–diameter modelling. Height–diameter models developed with ADA, ADA + DV and ADA + CM were compared using data from 4161 observations on 349 permanent sample plots of four major natural uneven-aged pure stands (Spruce, Korean Larch, Mongolian Oak, and White Birch in northeastern China. It was found that models developed with ADA + CM provided the best performance, followed by the models with ADA + DV, and the models developed with ADA performed the worst. Random effects at the plot level were substantial, and their inclusion greatly improved the model’s accuracy. More importantly, the models developed with ADA + CM provide an effective method for quantifying site type- and sample plot-specific forest site productivity for uneven-aged pure stands.

  15. Characteristics of roost cavities used by Lilian's Lovebird Agapornis ...

    African Journals Online (AJOL)

    Lilian's Lovebird Agapornis lilianae is a non-excavating cavity user of mopane Colophospermum mopane woodlands. We investigated roost characteristics of Lilian's Lovebirds in Liwonde National Park, Malawi. We quantified tree and roost site variables for roost and non-roost trees. Sixty-six roosts were found. Roosts ...

  16. Cavity Heating Experiments Supporting Shuttle Columbia Accident Investigation

    Science.gov (United States)

    Everhart, Joel L.; Berger, Karen T.; Bey, Kim S.; Merski, N. Ronald; Wood, William A.

    2011-01-01

    The two-color thermographic phosphor method has been used to map the local heating augmentation of scaled idealized cavities at conditions simulating the windward surface of the Shuttle Orbiter Columbia during flight STS-107. Two experiments initiated in support of the Columbia Accident Investigation were conducted in the Langley 20-Inch Mach 6 Tunnel. Generally, the first test series evaluated open (length-to-depth less than 10) rectangular cavity geometries proposed as possible damage scenarios resulting from foam and ice impact during launch at several discrete locations on the vehicle windward surface, though some closed (length-to-depth greater than 13) geometries were briefly examined. The second test series was designed to parametrically evaluate heating augmentation in closed rectangular cavities. The tests were conducted under laminar cavity entry conditions over a range of local boundary layer edge-flow parameters typical of re-entry. Cavity design parameters were developed using laminar computational predictions, while the experimental boundary layer state conditions were inferred from the heating measurements. An analysis of the aeroheating caused by cavities allowed exclusion of non-breeching damage from the possible loss scenarios being considered during the investigation.

  17. Orion EFT-1 Cavity Heating Tile Experiments and Environment Reconstruction

    Science.gov (United States)

    Salazar, Giovanni; Amar, Adam; Oliver, Brandon; Hyatt, Andrew; Rezin, Marc

    2016-01-01

    Developing aerothermodynamic environments for deep cavities, such as those produced by micrometeoroids and orbital debris impacts, poses a great challenge for engineers. In order to assess existing cavity heating models, two one-inch diameter cavities were flown on the Orion Multi-Purpose Crew Vehicle during Exploration Flight Test 1 (EFT1). These cavities were manufactured with depths of 1.0 in and 1.4 in, and they were both instrumented. Instrumentation included surface thermocouples upstream, downstream and within the cavities, and additional thermocouples at the TPS-structure interface. This paper will present the data obtained, and comparisons with computational predictions will be shown. Additionally, the development of a 3D material thermal model will be described, which will be used to account for the three-dimensionality of the problem when interpreting the data. Furthermore, using a multi-dimensional inverse heat conduction approach, a reconstruction of a time- and space-dependent flight heating distribution during EFT1 will be presented. Additional discussions will focus on instrumentation challenges and calibration techniques specific to these experiments. The analysis shown will highlight the accuracies and/or deficiencies of current computational techniques to model cavity flows during hypersonic re-entry.

  18. A Study on the Flow Characterization in the Reactor Cavity

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ho Jung; Ko, Kwang Jeok; Kim, Sung Hwan; Kim, Min Gyu; Cho, Yeon Ho; Kim, Hyun Min [KEPCO Engineering and Construction Co. Ltd., Deajeon (Korea, Republic of)

    2016-10-15

    In this study, the flow characterization of the cooling air in reactor cavity nearby RCPSA has been analyzed by using a 3 dimensional model and the ANSYS CFX software in order to predict the Convective Heat Transfer Coefficient (CHTC) of the RCPSA. The Reactor Cavity is the annular space by the concrete structure, the Reactor Cavity Pool Seal Assembly (RCPSA), which consists of the welded steel and is designed to be installed between the RV and the refueling pool floor, and the Reactor Vessel (RV). For such reason, the RCPSA should be designed to provide the cooling air passage for ventilation to circulate high temperature air passing by the RV during the reactor operation. It means that the RCPSA is influenced by the convection of cooling air and the thermal expansion of the RV. Therefore, the flow characterization at the reactor cavity is one of the factors of the RCPSA design during the reactor operation. The flow distribution of the cooling air in reactor cavity nearby RCPSA has been analyzed using ANSYS CFX software to obtain the CHTC at surface of the RCPSA. 1) The temperature from the RV and the insulation is one of the critical factors for the thermal gradient of the cooling air and the CHTC in the reactor cavity. 2) The rapid change of the CHTC in inner region nearby inner and outer flexure is related to the geometry shape of the RCPSA and velocity of cooling air.

  19. In silico site-directed mutagenesis informs species-specific predictions of chemical susceptibility derived from the Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool

    Science.gov (United States)

    The Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool was developed to address needs for rapid, cost effective methods of species extrapolation of chemical susceptibility. Specifically, the SeqAPASS tool compares the primary sequence (Level 1), functiona...

  20. Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization.

    Science.gov (United States)

    Beuming, Thijs; Che, Ye; Abel, Robert; Kim, Byungchan; Shanmugasundaram, Veerabahu; Sherman, Woody

    2012-03-01

    Water plays an essential role in determining the structure and function of all biological systems. Recent methodological advances allow for an accurate and efficient estimation of the thermodynamic properties of water molecules at the surface of proteins. In this work, we characterize these thermodynamic properties and relate them to various structural and functional characteristics of the protein. We find that high-energy hydration sites often exist near protein motifs typically characterized as hydrophilic, such as backbone amide groups. We also find that waters around alpha helices and beta sheets tend to be less stable than waters around loops. Furthermore, we find no significant correlation between the hydration site-free energy and the solvent accessible surface area of the site. In addition, we find that the distribution of high-energy hydration sites on the protein surface can be used to identify the location of binding sites and that binding sites of druggable targets tend to have a greater density of thermodynamically unstable hydration sites. Using this information, we characterize the FKBP12 protein and show good agreement between fragment screening hit rates from NMR spectroscopy and hydration site energetics. Finally, we show that water molecules observed in crystal structures are less stable on average than bulk water as a consequence of the high degree of spatial localization, thereby resulting in a significant loss in entropy. These findings should help to better understand the characteristics of waters at the surface of proteins and are expected to lead to insights that can guide structure-based drug design efforts. Copyright © 2011 Wiley Periodicals, Inc.

  1. An integrative computational framework based on a two-step random forest algorithm improves prediction of zinc-binding sites in proteins.

    Directory of Open Access Journals (Sweden)

    Cheng Zheng

    Full Text Available Zinc-binding proteins are the most abundant metalloproteins in the Protein Data Bank where the zinc ions usually have catalytic, regulatory or structural roles critical for the function of the protein. Accurate prediction of zinc-binding sites is not only useful for the inference of protein function but also important for the prediction of 3D structure. Here, we present a new integrative framework that combines multiple sequence and structural properties and graph-theoretic network features, followed by an efficient feature selection to improve prediction of zinc-binding sites. We investigate what information can be retrieved from the sequence, structure and network levels that is relevant to zinc-binding site prediction. We perform a two-step feature selection using random forest to remove redundant features and quantify the relative importance of the retrieved features. Benchmarking on a high-quality structural dataset containing 1,103 protein chains and 484 zinc-binding residues, our method achieved >80% recall at a precision of 75% for the zinc-binding residues Cys, His, Glu and Asp on 5-fold cross-validation tests, which is a 10%-28% higher recall at the 75% equal precision compared to SitePredict and zincfinder at residue level using the same dataset. The independent test also indicates that our method has achieved recall of 0.790 and 0.759 at residue and protein levels, respectively, which is a performance better than the other two methods. Moreover, AUC (the Area Under the Curve and AURPC (the Area Under the Recall-Precision Curve by our method are also respectively better than those of the other two methods. Our method can not only be applied to large-scale identification of zinc-binding sites when structural information of the target is available, but also give valuable insights into important features arising from different levels that collectively characterize the zinc-binding sites. The scripts and datasets are available at http://protein.cau.edu.cn/zincidentifier/.

  2. 21 CFR 872.3260 - Cavity varnish.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Cavity varnish. 872.3260 Section 872.3260 Food and... DENTAL DEVICES Prosthetic Devices § 872.3260 Cavity varnish. (a) Identification. Cavity varnish is a device that consists of a compound intended to coat a prepared cavity of a tooth before insertion of...

  3. Risk Factors and Predictive Model Development of Thirty-Day Post-Operative Surgical Site Infection in the Veterans Administration Surgical Population.

    Science.gov (United States)

    Li, Xinli; Nylander, William; Smith, Tracy; Han, Soonhee; Gunnar, William

    2018-04-01

    Surgical site infection (SSI) complicates approximately 2% of surgeries in the Veterans Affairs (VA) hospitals. Surgical site infections are responsible for increased morbidity, length of hospital stay, cost, and mortality. Surgical site infection can be minimized by modifying risk factors. In this study, we identified risk factors and developed accurate predictive surgical specialty-specific SSI risk prediction models for the Veterans Health Administration (VHA) surgery population. In a retrospective observation study, surgical patients who underwent surgery from October 2013 to September 2016 from 136 VA hospitals were included. The Veteran Affairs Surgical Quality Improvement Program (VASQIP) database was used for the pre-operative demographic and clinical characteristics, intra-operative characteristics, and 30-day post-operative outcomes. The study population represents 11 surgical specialties: neurosurgery, urology, podiatry, otolaryngology, general, orthopedic, plastic, thoracic, vascular, cardiac coronary artery bypass graft (CABG), and cardiac valve/other surgery. Multivariable logistic regression models were developed for the 30-day post-operative SSIs. Among 354,528 surgical procedures, 6,538 (1.8%) had SSIs within 30 days. Surgical site infection rates varied among surgical specialty (0.7%-3.0%). Surgical site infection rates were higher in emergency procedures, procedures with long operative duration, greater complexity, and higher relative value units. Other factors associated with increased SSI risk were high level of American Society of Anesthesiologists (ASA) classification (level 4 and 5), dyspnea, open wound/infection, wound classification, ascites, bleeding disorder, chemotherapy, smoking, history of severe chronic obstructive pulmonary disease (COPD), radiotherapy, steroid use for chronic conditions, and weight loss. Each surgical specialty had a distinct combination of risk factors. Accurate SSI risk-predictive surgery specialty

  4. TEM observations of crack tip: cavity interactions

    International Nuclear Information System (INIS)

    Horton, J.A.; Ohr, S.M.; Jesser, W.A.

    1981-01-01

    Crack tip-cavity interactions have been studied by performing room temperature deformation experiments in a transmission electron microscope on ion-irradiated type 316 stainless steel with small helium containing cavities. Slip dislocations emitted from a crack tip cut, sheared, and thereby elongated cavities without a volume enlargement. As the crack tip approached, a cavity volume enlargement occurred. Instead of the cavities continuing to enlarge until they touch, the walls between the cavities fractured. Fracture surface dimples do not correlate in size or density with these enlarged cavities

  5. Final predictions of ambient conditions along the east-west cross drift using the 3-D UZ site-scale model. Level 4 milestone SP33ABM4

    International Nuclear Information System (INIS)

    Ritcey, A.C.; Sonnenthal, E.L.; Wu, Y.S.; Haukwa, C.; Bodvarsson, G.S.

    1998-01-01

    In 1998, the Yucca Mountain Site Characterization Project (YMP) is expected to continue construction of an East-West Cross Drift. The 5-meter diameter drift will extend from the North Ramp of the Exploratory Studies Facility (ESF), near Station 19+92, southwest through the repository block, and over to and through the Solitario Canyon Fault. This drift is part of a program designed to enhance characterization of Yucca Mountain and to complement existing surface-based and ESF testing studies. The objective of this milestone is to use the three-dimensional (3-D) unsaturated zone (UZ) site-scale model to predict ambient conditions along the East-West Cross Drift. These predictions provide scientists and engineers with a priori information that can support design and construction of the East-West Cross Drift and associated testing program. The predictions also provide, when compared with data collected after drift construction, an opportunity to test and verify the calibration of the 3-D UZ site-scale model

  6. Imbalanced multi-modal multi-label learning for subcellular localization prediction of human proteins with both single and multiple sites.

    Directory of Open Access Journals (Sweden)

    Jianjun He

    Full Text Available It is well known that an important step toward understanding the functions of a protein is to determine its subcellular location. Although numerous prediction algorithms have been developed, most of them typically focused on the proteins with only one location. In recent years, researchers have begun to pay attention to the subcellular localization prediction of the proteins with multiple sites. However, almost all the existing approaches have failed to take into account the correlations among the locations caused by the proteins with multiple sites, which may be the important information for improving the prediction accuracy of the proteins with multiple sites. In this paper, a new algorithm which can effectively exploit the correlations among the locations is proposed by using gaussian process model. Besides, the algorithm also can realize optimal linear combination of various feature extraction technologies and could be robust to the imbalanced data set. Experimental results on a human protein data set show that the proposed algorithm is valid and can achieve better performance than the existing approaches.

  7. Fabrication of elliptical SRF cavities

    Science.gov (United States)

    Singer, W.

    2017-03-01

    The technological and metallurgical requirements of material for high-gradient superconducting cavities are described. High-purity niobium, as the preferred metal for the fabrication of superconducting accelerating cavities, should meet exact specifications. The content of interstitial impurities such as oxygen, nitrogen, and carbon must be below 10 μg g-1. The hydrogen content should be kept below 2 μg g-1 to prevent degradation of the quality factor (Q-value) under certain cool-down conditions. The material should be free of flaws (foreign material inclusions or cracks and laminations) that can initiate a thermal breakdown. Traditional and alternative cavity mechanical fabrication methods are reviewed. Conventionally, niobium cavities are fabricated from sheet niobium by the formation of half-cells by deep drawing, followed by trim machining and electron beam welding. The welding of half-cells is a delicate procedure, requiring intermediate cleaning steps and a careful choice of weld parameters to achieve full penetration of the joints. A challenge for a welded construction is the tight mechanical and electrical tolerances. These can be maintained by a combination of mechanical and radio-frequency measurements on half-cells and by careful tracking of weld shrinkage. The main aspects of quality assurance and quality management are mentioned. The experiences of 800 cavities produced for the European XFEL are presented. Another cavity fabrication approach is slicing discs from the ingot and producing cavities by deep drawing and electron beam welding. Accelerating gradients at the level of 35-45 MV m-1 can be achieved by applying electrochemical polishing treatment. The single-crystal option (grain boundary free) is discussed. It seems that in this case, high performance can be achieved by a simplified treatment procedure. Fabrication of the elliptical resonators from a seamless pipe as an alternative is briefly described. This technology has yielded good

  8. Hydroforming of superconducting TESLA cavities

    International Nuclear Information System (INIS)

    Singer, W.; Kaiser, H.; Singer, X.

    2003-01-01

    Seamless fabrication of single-cell and multi-cell TESLA shape cavities by hydroforming has been developed at DESY. The forming takes place by expanding the seamless tube with internal water pressure while simultaneously swaging it axially. Tube radius and axial displacement are being computer controlled in accordance with results of FEM simulations and the experimentally obtained strain-stress curve of tube material. Several Nb single cell cavities have been produced. A first bulk Nb double cell cavity has been fabricated. The Nb seamless tubes have been produced by spinning and deep drawing. Surface treatment such as buffered chemical polishing, (BCP), electropolishing (EP), high pressure ultra pure water rinsing (HPR), annealing at 800degC and baking at ca. 150degC have been applied. The best single cell bulk Nb cavity has reached an accelerating gradient of Eacc > 42 MV/m after ca. 250 μm BCP and 100 μm EP. Several bimetallic NbCu single cell cavities of TESLA shape have been fabricated. The seamless tubes have been produced by explosive bonding and subsequent flow forming. The thicknesses of Nb and Cu layers in the tube wall are about 1 mm and 3 mm respectively. The RF performance of NbCu clad cavities is similar to that of bulk Nb cavities. The highest accelerating gradient achieved was 40 MV/m after ca. 180 μm BCP, annealing at 800degC and baking at 140degC for 30 hours. The degradation of the quality factor Qo after repeated quenching is moderate, after ca. 150 quenches it reaches the saturation point of Qo=1.4x10 10 at low field. This indicates that on the basis of RF performance and material costs the combination of hydroforming with tube cladding is a very promising option. (author)

  9. Partial Cavity Flows at High Reynolds Numbers

    Science.gov (United States)

    Makiharju, Simo; Elbing, Brian; Wiggins, Andrew; Dowling, David; Perlin, Marc; Ceccio, Steven

    2009-11-01

    Partial cavity flows created for friction drag reduction were examined on a large-scale. Partial cavities were investigated at Reynolds numbers up to 120 million, and stable cavities with frictional drag reduction of more than 95% were attained at optimal conditions. The model used was a 3 m wide and 12 m long flat plate with a plenum on the bottom. To create the partial cavity, air was injected at the base of an 18 cm backwards-facing step 2.1 m from the leading edge. The geometry at the cavity closure was varied for different flow speeds to optimize the closure of the cavity. Cavity gas flux, thickness, frictional loads, and cavity pressures were measured over a range of flow speeds and air injection fluxes. High-speed video was used extensively to investigate the unsteady three dimensional cavity closure, the overall cavity shape and oscillations.

  10. An archaeological predictive model for locating rock shelter sites in Hesse Germany) that contain both Final Palaeolithic archaeology and Laacher See tephra

    DEFF Research Database (Denmark)

    Sauer, Florian Rudolf; Hoggard, Christian Steven; Zernack, Anke Verena

    of foragers and the Late Glacial environment there. In contrast, in the medial zone in Hesse only a small number of surface scatters of lithic artefacts are known. No Late Glacial sites, particularly not rock shelter and cave locations, have been excavated in this region. Yet, it is precisely such locations...... of human impacts following the eruption, a dataset of c. 800 rock shelter locations throughout the state of Hesse was used to generate an archaeological predictive model (APM). The database was compiled in the early 1990 for the purpose of discovering new and well-stratified sites (Hofbauer, 1995......). In the project presented here, a landscape-archaeological approach in GIS was employed to estimate the correspondence of the local topography of rock shelter features with the topographic and cultural framework of known Late Palaeolithic sites. Typical parameters like rock shelter orientation and distance...

  11. Estimating cavity tree and snag abundance using negative binomial regression models and nearest neighbor imputation methods

    Science.gov (United States)

    Bianca N.I. Eskelson; Hailemariam Temesgen; Tara M. Barrett

    2009-01-01

    Cavity tree and snag abundance data are highly variable and contain many zero observations. We predict cavity tree and snag abundance from variables that are readily available from forest cover maps or remotely sensed data using negative binomial (NB), zero-inflated NB, and zero-altered NB (ZANB) regression models as well as nearest neighbor (NN) imputation methods....

  12. Analysis of reactor cavity radiation streaming: some practical considerations

    International Nuclear Information System (INIS)

    Simmons, G.L.

    1979-01-01

    A description is presented of a cost effective analysis procedure for use in the prediction of radiation environments in the cavity and containment building of a nuclear power reactor. Comments are offered on potential problems in certification of analysis procedures and the availability of benchmarkable data sets, both measurements and calculations

  13. Macrophage inflammatory protein-1α shows predictive value as a risk marker for subjects and sites vulnerable to bone loss in a longitudinal model of aggressive periodontitis.

    Science.gov (United States)

    Fine, Daniel H; Markowitz, Kenneth; Fairlie, Karen; Tischio-Bereski, Debbie; Ferrandiz, Javier; Godboley, Dipti; Furgang, David; Gunsolley, John; Best, Al

    2014-01-01

    Improved diagnostics remains a fundamental goal of biomedical research. This study was designed to assess cytokine biomarkers that could predict bone loss (BL) in localized aggressive periodontitis. 2,058 adolescents were screened. Two groups of 50 periodontally healthy adolescents were enrolled in the longitudinal study. One group had Aggregatibacter actinomycetemcomitans (Aa), the putative pathogen, while the matched cohort did not. Cytokine levels were assessed in saliva and gingival crevicular fluid (GCF). Participants were sampled, examined, and radiographed every 6 months for 2-3 years. Disease was defined as radiographic evidence of BL. Saliva and GCF was collected at each visit, frozen, and then tested retrospectively after detection of BL. Sixteen subjects with Aa developed BL. Saliva from Aa-positive and Aa-negative healthy subjects was compared to subjects who developed BL. GCF was collected from 16 subjects with BL and from another 38 subjects who remained healthy. GCF from BL sites in the 16 subjects was compared to healthy sites in these same subjects and to healthy sites in subjects who remained healthy. Results showed that cytokines in saliva associated with acute inflammation were elevated in subjects who developed BL (i.e., MIP-1α MIP-1β IL-α, IL-1β and IL-8; p<0.01). MIP-1α was elevated 13-fold, 6 months prior to BL. When MIP-1α levels were set at 40 pg/ml, 98% of healthy sites were below that level (Specificity); whereas, 93% of sites with BL were higher (Sensitivity), with comparable Predictive Values of 98%; p<0.0001; 95% C.I. = 42.5-52.7). MIP-1α consistently showed elevated levels as a biomarker for BL in both saliva and GCF, 6 months prior to BL. MIP-1α continues to demonstrate its strong candidacy as a diagnostic biomarker for both subject and site vulnerability to BL.

  14. Macrophage inflammatory protein-1α shows predictive value as a risk marker for subjects and sites vulnerable to bone loss in a longitudinal model of aggressive periodontitis.

    Directory of Open Access Journals (Sweden)

    Daniel H Fine

    Full Text Available Improved diagnostics remains a fundamental goal of biomedical research. This study was designed to assess cytokine biomarkers that could predict bone loss (BL in localized aggressive periodontitis. 2,058 adolescents were screened. Two groups of 50 periodontally healthy adolescents were enrolled in the longitudinal study. One group had Aggregatibacter actinomycetemcomitans (Aa, the putative pathogen, while the matched cohort did not. Cytokine levels were assessed in saliva and gingival crevicular fluid (GCF. Participants were sampled, examined, and radiographed every 6 months for 2-3 years. Disease was defined as radiographic evidence of BL. Saliva and GCF was collected at each visit, frozen, and then tested retrospectively after detection of BL. Sixteen subjects with Aa developed BL. Saliva from Aa-positive and Aa-negative healthy subjects was compared to subjects who developed BL. GCF was collected from 16 subjects with BL and from another 38 subjects who remained healthy. GCF from BL sites in the 16 subjects was compared to healthy sites in these same subjects and to healthy sites in subjects who remained healthy. Results showed that cytokines in saliva associated with acute inflammation were elevated in subjects who developed BL (i.e., MIP-1α MIP-1β IL-α, IL-1β and IL-8; p<0.01. MIP-1α was elevated 13-fold, 6 months prior to BL. When MIP-1α levels were set at 40 pg/ml, 98% of healthy sites were below that level (Specificity; whereas, 93% of sites with BL were higher (Sensitivity, with comparable Predictive Values of 98%; p<0.0001; 95% C.I. = 42.5-52.7. MIP-1α consistently showed elevated levels as a biomarker for BL in both saliva and GCF, 6 months prior to BL. MIP-1α continues to demonstrate its strong candidacy as a diagnostic biomarker for both subject and site vulnerability to BL.

  15. Inter-assemblage facilitation: the functional diversity of cavity-producing beetles drives the size diversity of cavity-nesting bees.

    Science.gov (United States)

    Sydenham, Markus A K; Häusler, Lise D; Moe, Stein R; Eldegard, Katrine

    2016-01-01

    Inter-specific interactions are important drivers and maintainers of biodiversity. Compared to trophic and competitive interactions, the role of non-trophic facilitation among species has received less attention. Cavity-nesting bees nest in old beetle borings in dead wood, with restricted diameters corresponding to the body size of the bee species. The aim of this study was to test the hypothesis that the functional diversity of cavity-producing wood boring beetles - in terms of cavity diameters - drives the size diversity of cavity-nesting bees. The invertebrate communities were sampled in 30 sites, located in forested landscapes along an elevational gradient. We regressed the species richness and abundance of cavity nesting bees against the species richness and abundance of wood boring beetles, non-wood boring beetles and elevation. The proportion of cavity nesting bees in bee species assemblage was regressed against the species richness and abundance of wood boring beetles. We also tested the relationships between the size diversity of cavity nesting bees and wood boring beetles. The species richness and abundance of cavity nesting bees increased with the species richness and abundance of wood boring beetles. No such relationship was found for non-wood boring beetles. The abundance of wood boring beetles was also related to an increased proportion of cavity nesting bee individuals. Moreover, the size diversity of cavity-nesting bees increased with the functional diversity of wood boring beetles. Specifically, the mean and dispersion of bee body sizes increased with the functional dispersion of large wood boring beetles. The positive relationships between cavity producing bees and cavity nesting bees suggest that non-trophic facilitative interactions between species assemblages play important roles in organizing bee species assemblages. Considering a community-wide approach may therefore be required if we are to successfully understand and conserve wild bee

  16. Normal Conducting RF Cavity for MICE

    International Nuclear Information System (INIS)

    Li, D.; DeMello, A.; Virostek, S.; Zisman, M.; Summers, D.

    2010-01-01

    Normal conducting RF cavities must be used for the cooling section of the international Muon Ionization Cooling Experiment (MICE), currently under construction at Rutherford Appleton Laboratory (RAL) in the UK. Eight 201-MHz cavities are needed for the MICE cooling section; fabrication of the first five cavities is complete. We report the cavity fabrication status including cavity design, fabrication techniques and preliminary low power RF measurements.

  17. CEBAF's SRF cavity manufacturing experience

    International Nuclear Information System (INIS)

    Benesch, J.F.; Reece, C.E.

    1994-01-01

    Construction of the Continuous Electron Beam Accelerator Facility (CEBAF) recirculating linac represents the largest scale application of superconducting rf (SRF) technology to date. The accelerating structures in CEBAF are 169 pairs of 1.5 GHz superconducting rf cavities -- 9 pairs in an injector and 80 pairs each in two linacs. The beam is to be recirculated up to five passes through each linac. Data is presented on mechanical tolerances achieved by the industrial fabricator of the rf cavities (Siemens). Liquid helium leak rates integrated over 22 vacuum seals have been measured on over 110 cavity pairs. A roughly normal distribution of the log 10 (leak rate) is seen, centered about a rate of 10 -10.4 torr-l/s. Over 140 pairs of the cavities have been assembled and have completed rf testing at 2.0 K. Among these, 54% demonstrated usable accelerating gradients greater than 10 MV/m. Although the rf performance characteristics well exceed the CEBAF baseline requirements of 5 MV/m at Q 0 = 2.4x10 9 , the usual limiting phenomena are encountered: field emission, quenching, and occasional multipacting. A discussion of the occurrence conditions and severity of these phenomena during production cavity testing is presented. The frequency with which performance is limited by quenching suggests that additional material advances may be required for applications which require the reliable achievement of accelerating gradients of more than 15 MV/m

  18. Development of Side Coupled Cavities

    International Nuclear Information System (INIS)

    Conto, J.M. de; Carretta, J.M.; Gomez-Martinez, Y.; Micoud, R.

    2008-01-01

    Side coupled Cavities are good candidates for proton accelerations in the 90-180 MeV range, as it has been first proposed for the CERN LINAC4 project. A side coupled Linac is made of a lump chain of resonant cavities, alternatively accelerating and coupling. A side coupled cavity has been designed in a CERN-LPSC collaboration to achieve LINAC4 requirements. After RF studies, a complete thermal study has been done, showing that 10-15% is the absolute maximum duty-cycle achievable by such a cavity. Error studies have been developed. They have shown that a tuning ring is mandatory and that a K equals 3% coupling factor is a good choice. A prototype has been built and each cell has been measured and tuned. A simple and accurate method has been used to get both the resonant frequency and the coupling factor, with a movable tuner and a linear fit. A similar method has been used to get the second order coupling factor. A large dispersion is observed on K. This is mainly due to the shape of the coupling apertures, which are very sensitive to mechanical errors. A future and realistic design must be very careful to guarantee a constant aperture (the important parameter is more the dispersion of k than its exact value). Finally, we analyse how to tune the cavity. This has to checked carefully and probably improved or corrected. Results are expected for mid-2008

  19. ChloroP, a neural network-based method for predicting chloroplast transitpeptides and their cleavage sites

    DEFF Research Database (Denmark)

    Emanuelsson, O.; Nielsen, Henrik; von Heijne, Gunnar

    1999-01-01

    the cleavage sites given in SWISS-PROT. An analysis of 715 Arabidopsis thaliana sequences from SWISS-PROT suggests that the ChloroP method should be useful for the identification of putative transit peptides in genome-wide sequence data. The ChloroP predictor is available as a web-server at http......We present a neural network based method (ChloroP) for identifying chloroplast transit peptides and their cleavage sites. Using cross-validation, 88% of the sequences in our homology reduced training set were correctly classified as transit peptides or nontransit peptides. This performance level...

  20. Physics and chemistry of niobium materials in the context of superconducting RF cavity applications

    International Nuclear Information System (INIS)

    Roy, S.B.

    2016-01-01

    Superconducting radio frequency (SCRF) cavities excel over the normal conducting RF cavities in the long pulse or continuous wave high energy particle accelerations, and niobium (Nb) is currently the material of choice for fabrication of such SCRF cavities. However the accelerating gradients attained in the Nb SCRF cavities deployed in various high energy particle accelerators are significantly below the theoretical limit predicted by the superconducting properties of Nb. Thus it is very important to understand the physics and chemistry of Nb materials in some details so as to maximize the SCRF cavity performance. This abstract will discuss some issues which help in the development of high gradient and energy efficient Nb SCRF cavities in a cost effective manner. (author)

  1. A SURVEY OF CORONAL CAVITY DENSITY PROFILES

    International Nuclear Information System (INIS)

    Fuller, J.; Gibson, S. E.

    2009-01-01

    Coronal cavities are common features of the solar corona that appear as darkened regions at the base of coronal helmet streamers in coronagraph images. Their darkened appearance indicates that they are regions of lowered density embedded within the comparatively higher density helmet streamer. Despite interfering projection effects of the surrounding helmet streamer (which we refer to as the cavity rim), Fuller et al. have shown that under certain conditions it is possible to use a Van de Hulst inversion of white-light polarized brightness (pB) data to calculate the electron density of both the cavity and cavity rim plasma. In this article, we apply minor modifications to the methods of Fuller et al. in order to improve the accuracy and versatility of the inversion process, and use the new methods to calculate density profiles for both the cavity and cavity rim in 24 cavity systems. We also examine trends in cavity morphology and how departures from the model geometry affect our density calculations. The density calculations reveal that in all 24 cases the cavity plasma has a flatter density profile than the plasma of the cavity rim, meaning that the cavity has a larger density depletion at low altitudes than it does at high altitudes. We find that the mean cavity density is over four times greater than that of a coronal hole at an altitude of 1.2 R sun and that every cavity in the sample is over twice as dense as a coronal hole at this altitude. Furthermore, we find that different cavity systems near solar maximum span a greater range in density at 1.2 R sun than do cavity systems near solar minimum, with a slight trend toward higher densities for systems nearer to solar maximum. Finally, we found no significant correlation of cavity density properties with cavity height-indeed, cavities show remarkably similar density depletions-except for the two smallest cavities that show significantly greater depletion.

  2. Using existing growth models to predict RCW habitat development following site preparation: pitfalls of the process and potential growth response

    Science.gov (United States)

    Benjamin O. Knapp; Joan L. Walker

    2013-01-01

    Land managers throughout the Southeast are interested in restoring the longleaf pine (Pinus palustris Mill.) ecosystem, due in part to its value as habitat for the endangered red-cockaded woodpecker (Picoides borealis). In 2003, we established a study at Camp Lejeune, NC, to determine the effects of common site preparation...

  3. A GIS-based approach for the long-term prediction of human health risks at contaminated sites

    NARCIS (Netherlands)

    Bień, J.D.; Meer, J. ter; Rulkens, W.H.; Rijnaarts, H.H.M.

    2005-01-01

    A Health Index/Risk Evaluation Tool (HIRET) has been developed for the integration of risk assessment and spatial planning using GIS capabilities. The method is meant to assist decision makers and site owners in the evaluation of potential human health risk with respect to land use. Human health

  4. A GIS-based approach for the long-term prediction of human health risks at contaminated sites

    NARCIS (Netherlands)

    Bien, J.D.; Meer, J.; Rulkens, W.H.; Rijnaarts, H.H.M.

    2004-01-01

    A Health Index/Risk Evaluation Tool (HIRET) has been developed for the integration of risk assessment and spatial planning using GIS capabilities. The method is meant to assist decision makers and site owners in the evaluation of potential human health risk with respect to land use. Human health

  5. Bayesian spatial prediction of the site index in the study of the Missouri Ozark Forest Ecosystem Project

    Science.gov (United States)

    Xiaoqian Sun; Zhuoqiong He; John Kabrick

    2008-01-01

    This paper presents a Bayesian spatial method for analysing the site index data from the Missouri Ozark Forest Ecosystem Project (MOFEP). Based on ecological background and availability, we select three variables, the aspect class, the soil depth and the land type association as covariates for analysis. To allow great flexibility of the smoothness of the random field,...

  6. Recent ORNL experience in site performance prediction: the Gas Centrifuge Enrichment Plant and the Oak Ridge Central Waste Disposal Facility

    International Nuclear Information System (INIS)

    Pin, F.G.

    1985-01-01

    The suitability of the Portsmouth Gas Centrifuge Enrichment Plant Landfill and the Oak Ridge, Tennessee, Central Waste Disposal Facility for disposal of low-level radioactive waste was evaluated using pathways analyses. For these evaluations, a conservative approach was selected; that is, conservatism was built into the analyses when assumptions concerning future events had to be made or when uncertainties concerning site or waste characteristics existed. Data from comprehensive laboratory and field investigations were used in developing the conceptual and numerical models that served as the basis for the numerical simulations of the long-term transport of contamination to man. However, the analyses relied on conservative scenarios to describe the generation and migration of contamination and the potential human exposure to the waste. Maximum potential doses to man were calculated and compared to the appropriate standards. Even under this conservative framework, the sites were found to provide adequate buffer to persons outside the DOE reservations and conclusions concerning site capacity and site acceptability were drawn. Our experience through these studies has shown that in reaching conclusions in such studies, some consideration must be given to the uncertainties and conservatisms involved in the analyses. Analytical methods to quantitatively assess the probability of future events to occur and to quantitatively determine the sensitivity of the results to data uncertainty may prove useful in relaxing some of the conservatism built into the analyses. The applicability of such methods to pathways analyses is briefly discussed

  7. Review of cavity optomechanical cooling

    International Nuclear Information System (INIS)

    Liu Yong-Chun; Hu Yu-Wen; Xiao Yun-Feng; Wong Chee Wei

    2013-01-01

    Quantum manipulation of macroscopic mechanical systems is of great interest in both fundamental physics and applications ranging from high-precision metrology to quantum information processing. For these purposes, a crucial step is to cool the mechanical system to its quantum ground state. In this review, we focus on the cavity optomechanical cooling, which exploits the cavity enhanced interaction between optical field and mechanical motion to reduce the thermal noise. Recent remarkable theoretical and experimental efforts in this field have taken a major step forward in preparing the motional quantum ground state of mesoscopic mechanical systems. This review first describes the quantum theory of cavity optomechanical cooling, including quantum noise approach and covariance approach; then, the up-to-date experimental progresses are introduced. Finally, new cooling approaches are discussed along the directions of cooling in the strong coupling regime and cooling beyond the resolved sideband limit. (topical review - quantum information)

  8. LRRK2 Kinase Activity and Biology are Not Uniformly Predicted by its Autophosphorylation and Cellular Phosphorylation Site Status

    Directory of Open Access Journals (Sweden)

    April eReynolds

    2014-06-01

    Full Text Available Missense mutations in the Leucine Rich Repeat protein Kinase 2 (LRRK2 gene are the most common genetic predisposition to develop Parkinson’s disease (PD LRRK2 is a large multi-domain phosphoprotein with a GTPase domain and a serine/threonine protein kinase domain whose activity is implicated in neuronal toxicity; however the precise mechanism is unknown. LRRK2 autophosphorylates on several serine/threonine residues across the enzyme and is found constitutively phosphorylated on Ser910, Ser935, Ser955 and Ser973, which are proposed to be regulated by upstream kinases. Here we investigate the phosphoregulation at these sites by analyzing the effects of disease-associated mutations Arg1441Cys, Arg1441Gly, Ala1442Pro, Tyr1699Cys, Ile2012Thr, Gly2019Ser, and Ile2020Thr. We also studied alanine substitutions of phosphosite serines 910, 935, 955 and 973 and specific LRRK2 inhibition on autophosphorylation of LRRK2 Ser1292, Thr1491, Thr2483 and phosphorylation at the cellular sites. We found that mutants in the Roc-COR domains, including Arg1441Cys, Arg1441His, Ala1442Pro and Tyr1699Cys, can positively enhance LRRK2 kinase activity while concomitantly inducing the dephosphorylation of the cellular sites. Mutation of the cellular sites individually did not affect LRRK2 intrinsic kinase activity; however, Ser910/935/955/973Ala mutations trended toward increased kinase activity of LRRK2. Increased cAMP levels did not lead to increased LRRK2 cellular site phosphorylation, 14-3-3 binding or kinase activity. In cells, inhibition of LRRK2 kinase activity leads to dephosphorylation of Ser1292 by Calyculin A and okadaic acid sensitive phosphatases, while the cellular sites are dephosphorylated by Calyculin A sensitive phosphatases. These findings indicate that comparative analysis of both Ser1292 and Ser910/935/955/973 phosphorylation sites will provide important and distinct measures of LRRK2 kinase and biological activity in vitro and in vivo.

  9. Preoperative CT evaluation on nasal cavity for transsphenoidal approach

    International Nuclear Information System (INIS)

    Saeki, Naokatsu; Yamaura, Akira; Hoshi, Seiichiro; Sunada, Souichi; Sunami, Kenro

    1997-01-01

    Preoperative bone CT scans sliced parallel to the surgical plane were evaluated in 32 cases of transsphenoidal surgery. This method predicted patients with narrow nasal cavity, and helped to determine the rhinological maneuvers for providing a wider operative field. In addition, it helps to plan the need and extent of sella floor removal in re-operated cases. There was relatively little difference in the width and length of the nasal cavity between acromegalic and non-acromegalic patients. Hence, bone CT scans are useful in the preoperative evaluation of patients undergoing transsphenoidal surgery. (author)

  10. All-Optical Switching in Photonic Crystal Cavities

    DEFF Research Database (Denmark)

    Heuck, Mikkel

    All-Optical switching in photonic crystal waveguide-cavity structures is studied predominantly theoretically and numerically, but also from an experimental point of view. We have calculated the first order perturbations to the resonance frequency and decay rate of cavity modes, using a mathematical...... exhibiting Fano resonances. These devices were predicted to be superior to structures with the more well-known Lorentzian line shape in terms of energy consumption and switching contrast. Finally, the mathematical framework of optimal control theory was employed as a general setting, in which the optical...... faster than the photon lifetime by utilizing interference effects....

  11. On niobium sputter coated cavities

    International Nuclear Information System (INIS)

    Arnolds-Mayer, G.; Kaufmann, U.; Downar, H.

    1988-01-01

    To coat copper cavities with a thin film of niobium, facilities for electropolishing and sputter deposition have been installed at Dornier. Experiments have been performed on samples to optimize electropolishing and deposition parameters. In this paper, characteristics concerning surface properties, adhesion of the niobium film to the copper substrate, and film properties were studied on planar samples. A 1.5 GHz single cell cavity made from oxygen free high conductivity (OFHC) copper was sputter coated twice. First rf measurements were performed in the temperature range from 300 K to 2 K

  12. Soil erosion model predictions using parent material/soil texture-based parameters compared to using site-specific parameters

    Science.gov (United States)

    R. B. Foltz; W. J. Elliot; N. S. Wagenbrenner

    2011-01-01

    Forested areas disturbed by access roads produce large amounts of sediment. One method to predict erosion and, hence, manage forest roads is the use of physically based soil erosion models. A perceived advantage of a physically based model is that it can be parameterized at one location and applied at another location with similar soil texture or geological parent...

  13. Self-determined shapes and velocities of giant near-zero drag gas cavities

    KAUST Repository

    Vakarelski, Ivan Uriev

    2017-09-09

    Minimizing the retarding force on a solid moving in liquid is the canonical problem in the quest for energy saving by friction and drag reduction. For an ideal object that cannot sustain any shear stress on its surface, theory predicts that drag force will fall to zero as its speed becomes large. However, experimental verification of this prediction has been challenging. We report the construction of a class of self-determined streamlined structures with this free-slip surface, made up of a teardrop-shaped giant gas cavity that completely encloses a metal sphere. This stable gas cavity is formed around the sphere as it plunges at a sufficiently high speed into the liquid in a deep tank, provided that the sphere is either heated initially to above the Leidenfrost temperature of the liquid or rendered superhydrophobic in water at room temperature. These sphere-in-cavity structures have residual drag coefficients that are typically less than Embedded Image those of solid objects of the same dimensions, which indicates that they experienced very small drag forces. The self-determined shapes of the gas cavities are shown to be consistent with the Bernoulli equation of potential flow applied on the cavity surface. The cavity fall velocity is not arbitrary but is uniquely predicted by the sphere density and cavity volume, so larger cavities have higher characteristic velocities.

  14. Predicting the Metabolic Sites by Flavin-Containing Monooxygenase on Drug Molecules Using SVM Classification on Computed Quantum Mechanics and Circular Fingerprints Molecular Descriptors.

    Directory of Open Access Journals (Sweden)

    Chien-Wei Fu

    Full Text Available As an important enzyme in Phase I drug metabolism, the flavin-containing monooxygenase (FMO also metabolizes some xenobiotics with soft nucleophiles. The site of metabolism (SOM on a molecule is the site where the metabolic reaction is exerted by an enzyme. Accurate prediction of SOMs on drug molecules will assist the search for drug leads during the optimization process. Here, some quantum mechanics features such as the condensed Fukui function and attributes from circular fingerprints (called Molprint2D are computed and classified using the support vector machine (SVM for predicting some potential SOMs on a series of drugs that can be metabolized by FMO enzymes. The condensed Fukui function fA- representing the nucleophilicity of central atom A and the attributes from circular fingerprints accounting the influence of neighbors on the central atom. The total number of FMO substrates and non-substrates collected in the study is 85 and they are equally divided into the training and test sets with each carrying roughly the same number of potential SOMs. However, only N-oxidation and S-oxidation features were considered in the prediction since the available C-oxidation data was scarce. In the training process, the LibSVM package of WEKA package and the option of 10-fold cross validation are employed. The prediction performance on the test set evaluated by accuracy, Matthews correlation coefficient and area under ROC curve computed are 0.829, 0.659, and 0.877 respectively. This work reveals that the SVM model built can accurately predict the potential SOMs for drug molecules that are metabolizable by the FMO enzymes.

  15. Predictions of tracer transport in interwell tracer tests at the C-Hole complex. Yucca Mountain site characterization project report milestone 4077

    International Nuclear Information System (INIS)

    Reimus, P.W.

    1996-09-01

    This report presents predictions of tracer transport in interwell tracer tests that are to be conducted at the C-Hole complex at the Nevada Test Site on behalf of the Yucca Mountain Site Characterization Project. The predictions are used to make specific recommendations about the manner in which the tracer test should be conducted to best satisfy the needs of the Project. The objective of he tracer tests is to study flow and species transport under saturated conditions in the fractured tuffs near Yucca Mountain, Nevada, the site of a potential high-level nuclear waste repository. The potential repository will be located in the unsaturated zone within Yucca Mountain. The saturated zone beneath and around the mountain represents the final barrier to transport to the accessible environment that radionuclides will encounter if they breach the engineered barriers within the repository and the barriers to flow and transport provided by the unsaturated zone. Background information on the C-Holes is provided in Section 1.1, and the planned tracer testing program is discussed in Section 1.2

  16. Study of the sorption of actinide analogues on calcite and smectite as a model to predict the evolution of radioactive waste disposal in geological sites

    International Nuclear Information System (INIS)

    Budiman Sastrowardoyo, Pratomo

    1991-01-01

    In the framework of the problem of the radioactive waste disposal in deep geological sites, the purpose of this study is to predict the sorption of radionuclides on minerals within the geological barrier, after the rupture of the containers and the release of the radionuclides into underground water. Neodymium labelled by 147 Nd was used as an analogue of trivalent actinides. Calcite and smectite were used as examples of altered minerals of granitic sites. In simple media, neodymium is retained with a high affinity on both minerals. Fast kinetics of fixation, high distribution coefficients and sorption capacities are favorable factors for the slowing down of radionuclide migration in underground water. Fixation on calcite is quasi irreversible. A second kinetic step was observed, leading to an increase of the retention capacity. In the first step, this is probably a superficial sorption, but with a non-homogeneous affinity for sorption sites. An exchange mechanism of Nd 3+ with Na + et Ca 2+ ions of smectite occurs. The Freundlich isotherm observed for both minerals can be used for predicting the retention of radioelements as a function of their concentration and introducing these data in a migration model after comparison with the results of dynamic and field experiments. (author) [fr

  17. The mastermind approach to CNS drug therapy: translational prediction of human brain distribution, target site kinetics, and therapeutic effects

    OpenAIRE

    de Lange, Elizabeth CM

    2013-01-01

    Despite enormous advances in CNS research, CNS disorders remain the world?s leading cause of disability. This accounts for more hospitalizations and prolonged care than almost all other diseases combined, and indicates a high unmet need for good CNS drugs and drug therapies. Following dosing, not only the chemical properties of the drug and blood?brain barrier (BBB) transport, but also many other processes will ultimately determine brain target site kinetics and consequently the CNS effects. ...

  18. Agenda trending: reciprocity and the predictive capacity of social networking sites in intermedia agenda setting across topics over time

    OpenAIRE

    Groshek, Jacob; Groshek, Megan Clough

    2013-01-01

    In the contemporary converged media environment, agenda setting is being transformed by the dramatic growth of audiences that are simultaneously media users and producers. The study reported here addresses related gaps in the literature by first comparing the topical agendas of two leading traditional media outlets (New York Times and CNN) with the most frequently shared stories and trending topics on two widely popular Social Networking Sites (Facebook and Twitter). Time-series analyses of t...

  19. A branch point consensus from Arabidopsis found by non-circular analysis allows for better prediction of acceptor sites

    DEFF Research Database (Denmark)

    Tolstrup, Niels; Rouzé, Pierre; Brunak, Søren

    1997-01-01

    Little knowledge exists about branch points in plants; it has even been claimed that plant introns lack conserved branch point sequences similar to those found in vertebrate introns. A putative branch point consensus sequence for Arabidopsis thaliana resembling the well known metazoan consensus s...... in the recognition of true acceptor sites; the false positive rate being reduced by a factor of 2. We take this as an indication that the consensus found here is the genuine one and that the branch point does play a role in the proper recognition of the acceptor site in plants.......Little knowledge exists about branch points in plants; it has even been claimed that plant introns lack conserved branch point sequences similar to those found in vertebrate introns. A putative branch point consensus sequence for Arabidopsis thaliana resembling the well known metazoan consensus...... sequence has been proposed, but this is based on search of sequences similar to those in yeast and metazoa. Here we present a novel consensus sequence found by a non-circular approach. A hidden Markov model with a fixed A nucleotide was trained on sequences upstream of the acceptor site. The consensus...

  20. Impact of Lorentz forces on a Spoke cavity with β 0.15 and on a Spiral-2 cavity with β 0.12

    International Nuclear Information System (INIS)

    Gassot, H.

    2007-01-01

    Mono-spoke superconducting cavities have been proposed for the acceleration of radioactive ion beams. The interaction of the electromagnetic field with the surface electrical current generates Lorentz forces that operate on the intern wall of the cavity, the distribution of these forces is highly non-linear and varying. The stability of a superconducting cavity is directly linked to the frequency variation due to Lorentz forces and as a consequence the optimized design of a cavity must take into account these forces. In order to optimize the design of a cavity, 3 complementary software have been developed: Catia, a computer-aided-design software, Soprano for electromagnetic modeling and Cast3m for mechanical modeling. Preliminary results show a good agreement between predicted values and experimental data. (A.C.)

  1. Acoustic cavity transducers for the manipulation of cells and biomolecules

    Science.gov (United States)

    Tovar, Armando; Patel, Maulik; Lee, Abraham P.

    2010-02-01

    A novel fluidic actuator that is simple to fabricate, integrate, and operate is demonstrated for use within microfluidic systems. The actuator is designed around the use of trapped air bubbles in lateral cavities and the resultant acoustic streaming generated from an outside acoustic energy source. The orientation of the lateral cavities to the main microchannel is used to control the bulk fluid motion within the device. The first order flow generated by the oscillating bubble is used to develop a pumping platform that is capable of driving fluid within a chip. This pump is integrated into a recirculation immunoassay device for enhanced biomolecule binding through fluid flow for convection limited transport. The recirculation system showed an increase in binding site concentration when compared with traditional passive and flow-through methods. The acoustic cavity transducer has also been demonstrated for application in particle switching. Bursts of acoustic energy are used to generate a second order streaming pattern near the cavity interface to drive particles away or towards the cavity. The use of this switching mechanism is being extended to the application of sorting cells and other particles within a microfluidic system.

  2. Wake-field studies on photonic band gap accelerator cavities

    International Nuclear Information System (INIS)

    Li, D.; Kroll, N.; Stanford Linear Accelerator Center, M/S 26, P.O. Box 4349, Stanford, California; Smith, D.R.; Schultz, S.

    1997-01-01

    We have studied the wake-field of several metal Photonic Band Gap (PBG) cavities which consist of either a square or a hexagonal array of metal cylinders, bounded on top and bottom by conducting or superconducting sheets, surrounded by placing microwave absorber at the periphery or by replacing outer rows of metal cylinders with lossy dielectric ones, or by metallic walls. A removed cylinder from the center of the array constitutes a site defect where a localized electromagnetic mode can occur. While both monopole and dipole wake-fields have been studied, we confine our attention here mainly to the dipole case. The dipole wake-field is produced by modes in the propagation bands which tend to fill the entire cavity more or less uniformly and are thus easy to damp selectively. MAFIA time domain simulation of the transverse wake-field has been compared with that of a cylindrical pill-box comparison cavity. Even without damping the wake-field of the metal PBG cavity is substantially smaller than that of the pill-box cavity and may be further reduced by increasing the size of the lattice. By introducing lossy material at the periphery we have been able to produce Q factors for the dipole modes in the 40 to 120 range without significantly degrading the accelerating mode. copyright 1997 American Institute of Physics

  3. Conduction cooling systems for linear accelerator cavities

    Science.gov (United States)

    Kephart, Robert

    2017-05-02

    A conduction cooling system for linear accelerator cavities. The system conducts heat from the cavities to a refrigeration unit using at least one cavity cooler interconnected with a cooling connector. The cavity cooler and cooling connector are both made from solid material having a very high thermal conductivity of approximately 1.times.10.sup.4 W m.sup.-1 K.sup.-1 at temperatures of approximately 4 degrees K. This allows for very simple and effective conduction of waste heat from the linear accelerator cavities to the cavity cooler, along the cooling connector, and thence to the refrigeration unit.

  4. Beating quantum limits in an optomechanical sensor by cavity detuning

    International Nuclear Information System (INIS)

    Arcizet, O.; Briant, T.; Heidmann, A.; Pinard, M.

    2006-01-01

    We study the quantum limits in an optomechanical sensor based on a detuned high-finesse cavity with a movable mirror. We show that the radiation pressure exerted on the mirror by the light in the detuned cavity induces a modification of the mirror dynamics and makes the mirror motion sensitive to the signal. This leads to an amplification of the signal by the mirror dynamics, and to an improvement of the sensor sensitivity beyond the standard quantum limit, up to an ultimate quantum limit only related to the mechanical dissipation of the mirror. This improvement is somewhat similar to the one predicted in detuned signal-recycled gravitational-wave interferometers, and makes a high-finesse cavity a model system to test these quantum effects

  5. Cavity Control and Cooling of Nanoparticles in High Vacuum

    Science.gov (United States)

    Millen, James

    2016-05-01

    Levitated systems are a fascinating addition to the world of optically-controlled mechanical resonators. It is predicted that nanoparticles can be cooled to their c.o.m. ground state via the interaction with an optical cavity. By freeing the oscillator from clamping forces dissipation and decoherence is greatly reduced, leading to the potential to produce long-lived, macroscopically spread, mechanical quantum states, allowing tests of collapse models and any mass limit of quantum physics. Reaching the low pressures required to cavity-cool to the ground state has proved challenging. Our approach is to cavity cool a beam of nanoparticles in high vacuum. We can cool the c.o.m. motion of nanospheres, and control the rotation of nanorods, with the potential to produce cold, aligned nanostructures. Looking forward, we will utilize novel microcavities to enhance optomechanical cooling, preparing particles in a coherent beam ideally suited to ultra-high mass interferometry at 107 a.m.u.

  6. Cavity Cooling of Nanoparticles: Towards Matter-Wave experiments

    Science.gov (United States)

    Millen, James; Kuhn, Stefan; Arndt, Markus

    2016-05-01

    Levitated systems are a fascinating addition to the world of optically-controlled mechanical resonators. It is predicted that nanoparticles can be cooled to their c.o.m. ground state via the interaction with an optical cavity. By freeing the oscillator from clamping forces dissipation and decoherence is greatly reduced, leading to the potential to produce long-lived, macroscopically spread, mechanical quantum states, allowing tests of collapse models and any mass limit of quantum physics. Reaching the low pressures required to cavity-cool to the ground state has proved challenging. Our approach is to cavity cool a beam of nanoparticles in high vacuum. We can cool the c.o.m. motion of nanospheres a few hundred nanometers in size. Looking forward, we will utilize novel microcavities to enhance optomechanical cooling, preparing particles in a coherent beam ideally suited to ultra-high mass interferometry at 107 a.m.u.

  7. A statistical model for field emission in superconducting cavities

    International Nuclear Information System (INIS)

    Padamsee, H.; Green, K.; Jost, W.; Wright, B.

    1993-01-01

    A statistical model is used to account for several features of performance of an ensemble of superconducting cavities. The input parameters are: the number of emitters/area, a distribution function for emitter β values, a distribution function for emissive areas, and a processing threshold. The power deposited by emitters is calculated from the field emission current and electron impact energy. The model can successfully account for the fraction of tests that reach the maximum field Epk in an ensemble of cavities, for eg, 1-cells at sign 3 GHz or 5-cells at sign 1.5 GHz. The model is used to predict the level of power needed to successfully process cavities of various surface areas with high pulsed power processing (HPP)

  8. Study of prediction of migration of radiocesium and radiostrontium in soil for environmental control around shallow radioactive waste disposal site

    International Nuclear Information System (INIS)

    Chandra, U.

    1986-01-01

    Distribution coefficients, migration velocity and dispersion coefficients for radiocesium and radiostrontium in soil were determined in laboratory while simulating some field conditions. The experimental and predicted data of breakthrough of Cs-134, Sr-85 e Sr-89 using I-131 + 0.01 NKI to describe the hydrodynamic dispersion were in good agreement. Data of variation of dispersion coefficient with various carrier concentration of Cs and Sr are presented. (Author) [pt

  9. Flux trapping in superconducting cavities

    International Nuclear Information System (INIS)

    Vallet, C.; Bolore, M.; Bonin, B.; Charrier, J.P.; Daillant, B.; Gratadour, J.; Koechlin, F.; Safa, H.

    1992-01-01

    The flux trapped in various field cooled Nb and Pb samples has been measured. For ambient fields smaller than 3 Gauss, 100% of the flux is trapped. The consequences of this result on the behavior of superconducting RF cavities are discussed. (author) 12 refs.; 2 figs

  10. Field emission in RF cavities

    International Nuclear Information System (INIS)

    Bonin, B.

    1996-01-01

    Electron field emission limits the accelerating gradient in superconducting cavities. It is shown how and why it is an important problem. The phenomenology of field emission is then described, both in DC and RF regimes. Merits of a few plausible 'remedies' to field emission are discussed. (author)

  11. Superconducting cavity development at RRCAT

    International Nuclear Information System (INIS)

    Joshi, S.C.

    2015-01-01

    Raja Ramanna Centre for Advanced Technology (RRCAT), Indore pursuing a program on 'R and D Activities for High Energy Proton Linac based Spallation Neutron Source'. Spallation neutron source (SNS) facility will provide high flux pulse neutrons for research in the areas of condensed matter physics, materials science, chemistry, biology and engineering. This will complement the existing synchrotron light source facility, INDUS-2 at RRCAT and reactor based neutron facilities at BARC. RRCAT is also participating in approved mega project on 'Physics and Advanced Technology for High Intensity Proton Accelerator' to support activities of Indian Institutions - Fermilab Collaboration (IIFC). The SNS facility will have a 1 GeV superconducting proton injector linac and 1 GeV accumulator ring. The linac will comprise of large number of superconducting radio-frequency (SCRF) cavities operating at different RF frequencies housed in suitable cryomodules. Thus, an extensive SCRF cavity infrastructure setup is being established. In addition, a scientific and technical expertise are also being developed for fabrication, processing and testing of the SCRF cavities for series production. The paper presents the status of superconducting cavity development at RRCAT

  12. Thoracic cavity after thoracic operations

    International Nuclear Information System (INIS)

    Rabkin, I.Kh.

    1983-01-01

    The problems of roentgenologic method application to detect postoperative c omplications in pulmonary tissue, bronchi, pleural cavity, mediastinum, have been considered. It is shown, that the use of the above mentioned method permit s to judge on the rates and degrees of the lungs straightening, anatomic structures shift, the change in air- and blood-filling, accumulation of liquid a nd air in pleuritic

  13. "Grinding" cavities in polyurethane foam

    Science.gov (United States)

    Brower, J. R.; Davey, R. E.; Dixon, W. F.; Robb, P. H.; Zebus, P. P.

    1980-01-01

    Grinding tool installed on conventional milling machine cuts precise cavities in foam blocks. Method is well suited for prototype or midsize production runs and can be adapted to computer control for mass production. Method saves time and materials compared to bonding or hot wire techniques.

  14. Droplet based cavities and lasers

    DEFF Research Database (Denmark)

    Mølhave, Kristian; Kristensen, Anders; Mortensen, Asger

    2009-01-01

    The self-organized and molecularly smooth surface on liquid microdroplets makes them attractive as optical cavities with very high quality factors. This chapter describes the basic theory of optical modes in spherical droplets. The mechanical properties including vibrational excitation are also d...

  15. Superconducting cavities for beauty factories

    International Nuclear Information System (INIS)

    Lengeler, H.

    1992-01-01

    The possibilities and merits of superconducting accelerating cavities for Beauty-factories are considered. There exist already large sc systems of size and frequency comparable to the ones needed for Beauty-factories. Their status and operation experience is discussed. A comparison of normal conducting and superconducting systems is done for two typical Beauty-factory rings

  16. iSNO-PseAAC: predict cysteine S-nitrosylation sites in proteins by incorporating position specific amino acid propensity into pseudo amino acid composition.

    Directory of Open Access Journals (Sweden)

    Yan Xu

    Full Text Available Posttranslational modifications (PTMs of proteins are responsible for sensing and transducing signals to regulate various cellular functions and signaling events. S-nitrosylation (SNO is one of the most important and universal PTMs. With the avalanche of protein sequences generated in the post-genomic age, it is highly desired to develop computational methods for timely identifying the exact SNO sites in proteins because this kind of information is very useful for both basic research and drug development. Here, a new predictor, called iSNO-PseAAC, was developed for identifying the SNO sites in proteins by incorporating the position-specific amino acid propensity (PSAAP into the general form of pseudo amino acid composition (PseAAC. The predictor was implemented using the conditional random field (CRF algorithm. As a demonstration, a benchmark dataset was constructed that contains 731 SNO sites and 810 non-SNO sites. To reduce the homology bias, none of these sites were derived from the proteins that had [Formula: see text] pairwise sequence identity to any other. It was observed that the overall cross-validation success rate achieved by iSNO-PseAAC in identifying nitrosylated proteins on an independent dataset was over 90%, indicating that the new predictor is quite promising. Furthermore, a user-friendly web-server for iSNO-PseAAC was established at http://app.aporc.org/iSNO-PseAAC/, by which users can easily obtain the desired results without the need to follow the mathematical equations involved during the process of developing the prediction method. It is anticipated that iSNO-PseAAC may become a useful high throughput tool for identifying the SNO sites, or at the very least play a complementary role to the existing methods in this area.

  17. SRF Cavity Fabrication and Materials

    Energy Technology Data Exchange (ETDEWEB)

    Singer, W [DESY (Germany)

    2014-07-01

    The technological and metallurgical requirements of material for highgradient superconducting cavities are described. High-purity niobium, as the preferred metal for the fabrication of superconducting accelerating cavities, should meet exact specifications. The content of interstitial impurities such as oxygen, nitrogen, and carbon must be below 10μg/g. The hydrogen content should be kept below 2μg/g to prevent degradation of the Q-value under certain cool-down conditions. The material should be free of flaws (foreign material inclusions or cracks and laminations) that can initiate a thermal breakdown. Defects may be detected by quality control methods such as eddy current scanning and identified by a number of special methods. Conventional and alternative cavity fabrication methods are reviewed. Conventionally, niobium cavities are fabricated from sheet niobium by the formation of half-cells by deep drawing, followed by trim machining and Electron-Beam Welding (EBW). The welding of half-cells is a delicate procedure, requiring intermediate cleaning steps and a careful choice of weld parameters to achieve full penetration of the joints. The equator welds are particularly critical. A challenge for a welded construction is the tight mechanical and electrical tolerances. These can be maintained by a combination of mechanical and radio-frequency measurements on halfcells and by careful tracking of weld shrinkage. The established procedure is suitable for large series production. The main aspects of quality assurance management are mentioned. Another cavity fabrication approach is slicing discs from the ingot and producing cavities by deep drawing and EBW. Accelerating gradients at the level of 35–45 MV·m–1 can be achieved by applying Electropolishing (EP) treatment. Furthermore, the single-crystal option (grain boundary free) is promising. It seems that in this case, high performance can be achieved by a simplified treatment procedure. Fabrication of the

  18. Heralded entangling quantum gate via cavity-assisted photon scattering

    Science.gov (United States)

    Borges, Halyne S.; Rossatto, Daniel Z.; Luiz, Fabrício S.; Villas-Boas, Celso J.

    2018-01-01

    We theoretically investigate the generation of heralded entanglement between two identical atoms via cavity-assisted photon scattering in two different configurations, namely, either both atoms confined in the same cavity or trapped into locally separated ones. Our protocols are given by a very simple and elegant single-step process, the key mechanism of which is a controlled-phase-flip gate implemented by impinging a single photon on single-sided cavities. In particular, when the atoms are localized in remote cavities, we introduce a single-step parallel quantum circuit instead of the serial process extensively adopted in the literature. We also show that such parallel circuit can be straightforwardly applied to entangle two macroscopic clouds of atoms. Both protocols proposed here predict a high entanglement degree with a success probability close to unity for state-of-the-art parameters. Among other applications, our proposal and its extension to multiple atom-cavity systems step toward a suitable route for quantum networking, in particular for quantum state transfer, quantum teleportation, and nonlocal quantum memory.

  19. The Inverse Contagion Problem (ICP) vs.. Predicting site contagion in real time, when network links are not observable

    Science.gov (United States)

    Mushkin, I.; Solomon, S.

    2017-10-01

    We study the inverse contagion problem (ICP). As opposed to the direct contagion problem, in which the network structure is known and the question is when each node will be contaminated, in the inverse problem the links of the network are unknown but a sequence of contagion histories (the times when each node was contaminated) is observed. We consider two versions of the ICP: The strong problem (SICP), which is the reconstruction of the network and has been studied before, and the weak problem (WICP), which requires "only" the prediction (at each time step) of the nodes that will be contaminated at the next time step (this is often the real life situation in which a contagion is observed and predictions are made in real time). Moreover, our focus is on analyzing the increasing accuracy of the solution, as a function of the number of contagion histories already observed. For simplicity, we discuss the simplest (deterministic and synchronous) contagion dynamics and the simplest solution algorithm, which we have applied to different network types. The main result of this paper is that the complex problem of the convergence of the ICP for a network can be reduced to an individual property of pairs of nodes: the "false link difficulty". By definition, given a pair of unlinked nodes i and j, the difficulty of the false link (i,j) is the probability that in a random contagion history, the nodes i and j are not contaminated at the same time step (or at consecutive time steps). In other words, the "false link difficulty" of a non-existing network link is the probability that the observations during a random contagion history would not rule out that link. This probability is relatively straightforward to calculate, and in most instances relies only on the relative positions of the two nodes (i,j) and not on the entire network structure. We have observed the distribution of false link difficulty for various network types, estimated it theoretically and confronted it

  20. Methodology for predictive modeling of environmental transport and health effects for waste sites at the Savannah River Plant: Environmental information document

    International Nuclear Information System (INIS)

    Stephensen, D.E.; King, C.M.; Looney, B.B.; Grant, M.W.

    1987-03-01

    This document provides information on the methods used to predict chemical transport and the associated health risk for various postulated closure activities at waste sites. The document was prepared as background documentation for the Department of Energy's proposed Environmental Impact Statement (EIS) on waste management activities for groundwater protection at the Savannah River Plant (SRP). The various mathematical formulations used in the environmental transport analysis, the exposure assessment, and the health risk assessment used in the analysis of all foreseeable scenarios as defined by the National Environmental Policy Act (CFR, 1986) are presented in this document. The scenarios do not necessarily represent actual environmental conditions for every SRP waste site. This document was prepared in support of the National Environmental Policy Act process, but does not by itself satisfy federal or state regulatory requirements. 29 refs., 11 figs

  1. Tuner Design for PEFP Superconducting RF Cavities

    International Nuclear Information System (INIS)

    Tang, Yazhe; An, Sun; Zhang, Liping; Cho, Yong Sub

    2009-01-01

    A superconducting radio frequency (SRF) cavity will be used to accelerate a proton beam after 100 MeV at 700 MHz in a linac of the Proton Engineering Frontier Project (PEFP) and its extended project. In order to control the SRF cavity's operating frequency at a low temperature, a new tuner has been developed for the PEFP SRF cavities. Each PEFP superconducting RF cavity has one tuner to match the cavity resonance frequency with the desired accelerator operating frequency; or to detune a cavity frequency a few bandwidths away from a resonance, so that the beam will not excite the fundamental mode, when the cavity is not being used for an acceleration. The PEFP cavity tuning is achieved by varying the total length of the cavity. The length of the cavity is controlled differentially by tuner acting with respect to the cavity body. The PEFP tuner is attached to the helium vessel and drives the cavity Field Probe (FP) side to change the frequency of the cavity

  2. Using transcranial magnetic stimulation of the undamaged brain to identify lesion sites that predict language outcome after stroke.

    Science.gov (United States)

    Lorca-Puls, Diego L; Gajardo-Vidal, Andrea; Seghier, Mohamed L; Leff, Alexander P; Sethi, Varun; Prejawa, Susan; Hope, Thomas M H; Devlin, Joseph T; Price, Cathy J

    2017-06-01

    Transcranial magnetic stimulation focused on either the left anterior supramarginal gyrus or opercular part of the left inferior frontal gyrus has been reported to transiently impair the ability to perform phonological more than semantic tasks. Here we tested whether phonological processing abilities were also impaired following lesions to these regions in right-handed, English speaking adults, who were investigated at least 1 year after a left-hemisphere stroke. When our regions of interest were limited to 0.5 cm3 of grey matter centred around sites that had been identified with transcranial magnetic stimulation-based functional localization, phonological impairments were observed in 74% (40/54) of patients with damage to the regions and 21% (21/100) of patients sparing these regions. This classification accuracy was better than that observed when using regions of interest centred on activation sites in previous functional magnetic resonance imaging studies of phonological processing, or transcranial magnetic stimulation sites that did not use functional localization. New regions of interest were generated by redefining the borders of each of the transcranial magnetic stimulation sites to include areas that were consistently damaged in the patients with phonological impairments. This increased the incidence of phonological impairments in the presence of damage to 85% (46/54) and also reduced the incidence of phonological impairments in the absence of damage to 15% (15/100). The difference in phonological processing abilities between those with and without damage to these 'transcranial magnetic stimulation-guided' regions remained highly significant even after controlling for the effect of lesion size. The classification accuracy of the transcranial magnetic stimulation-guided regions was validated in a second sample of 108 patients and found to be better than that for (i) functional magnetic resonance imaging-guided regions; (ii) a region identified from an

  3. Generation of 3D templates of active sites of proteins with rigid prosthetic groups

    OpenAIRE

    Nebel, Jean-Christophe

    2006-01-01

    MOTIVATION: With the increasing availability of protein structures, the generation of biologically meaningful 3D patterns from the simultaneous alignment of several protein structures is an exciting prospect: active sites could be better understood, protein functions and protein 3D structures could be predicted more accurately. Although patterns can already be generated at the fold and topological levels, no system produces high-resolution 3D patterns including atom and cavity positions. To a...

  4. Genetic effects of radiation and prediction of hereditary pathology of population of areas around the former Semipalatinsk test site

    International Nuclear Information System (INIS)

    Bigaliev, A.B.

    1998-01-01

    Epidemiological analysis of diseases and mortality of the population living in areas around Semipalatinsk test site is not only theoretically interesting in terms of the human being genetics, but is important for the health-care in practice, since it allows correct planning the score of medical social aid to the sick people and their families, including measures. Assessment of posterior consequences of low dose radiation effect on health of the population of the areas around the former Semipalatinsk nuclear test site is of special interest. Many underground, atmospheric and above-ground tests of nuclear weapon resulted in a significant increase of the oncologic and blood diseases rate among several generations of the effected people. Moreover, consequences of the above-ground and atmospheric tests of nuclear and hydrogen weapon will show up in the next century, taking into account the fact that the 'open' tests were ceased only at the middle of 60-th. The birth rate of children with the inherent intelligence defects was determined according to the accounting records of the new-born children within 1986-1992 years. Analysis of perinatal mortality was carried out based on the records on autopsy within 1985-1992 years. The two-fold increase of the onco diseases rate was revealed among children. The rate of spontaneous aborts in the Eginbulak district was 9.99% and exceeded the average rate in the region and indexes of other regions

  5. Building of radio frequency cavity for Superconducting Cyclotron

    International Nuclear Information System (INIS)

    Ahammed, M.; DuttaGupta, A.; Mandal, B.Ch.; Saha, S.; Bhattacharya, P.; Manna, B.; Hembrom, B.; Murmu, S.; Sur, S.; Murali, S.; Chaudhuri, J.; Bhandari, R.K.

    2009-01-01

    Full text: RF cavity for Superconducting Cyclotron is a room temperature cavity having 10 m tall coaxial structure placed symmetrically above and below the median plane. The structure is made of copper and operates within the frequency range of 9 to 27 MHz. The frequency is varied with the help of sliding shorts, which moves up and down. Part of the cavity is in air and rest is in vacuum. After fabrication of individual components, assembly of sub-system has been started by carrying out numeral critical (around 500 joints approx.) soldering and brazing joints of which some of them are located within centimeter of distance. All these joints were tested for vacuum and water sealing including many temporary joints sealed by O rings and C seals. Main criticalities involve in fabricating these sub-assemblies are maintaining dimensional accuracies, concentricity and parallelism. Moreover challenges faced during transportation and handling of this subassembly while carrying out soldering and actual site assembly, were overcome by employing several specially designed fixtures. Fixtures were used to control distortion that would take place during soldering and brazing and to avoid any damage which is likely to occur because of less mechanical strength of soldering and brazing joint. This paper highlights the above difficulties and challenges faced during the actual site assembly of the whole RF system because of its limited accessibility, compactness, requirements of upper and lower resonator cavity to be symmetric and ultra cleanliness. (author)

  6. Waveguide based external cavity semiconductor lasers

    NARCIS (Netherlands)

    Oldenbeuving, Ruud; Klein, E.J.; Offerhaus, Herman L.; Lee, Christopher James; Verhaegen, M.; Boller, Klaus J.

    2012-01-01

    We report on progress of the project waveguide based external cavity semiconductor laser (WECSL) arrays. Here we present the latest results on our efforts to mode lock an array of tunable, external cavity semiconductor lasers.

  7. Optical cavity furnace for semiconductor wafer processing

    Science.gov (United States)

    Sopori, Bhushan L.

    2014-08-05

    An optical cavity furnace 10 having multiple optical energy sources 12 associated with an optical cavity 18 of the furnace. The multiple optical energy sources 12 may be lamps or other devices suitable for producing an appropriate level of optical energy. The optical cavity furnace 10 may also include one or more reflectors 14 and one or more walls 16 associated with the optical energy sources 12 such that the reflectors 14 and walls 16 define the optical cavity 18. The walls 16 may have any desired configuration or shape to enhance operation of the furnace as an optical cavity 18. The optical energy sources 12 may be positioned at any location with respect to the reflectors 14 and walls defining the optical cavity. The optical cavity furnace 10 may further include a semiconductor wafer transport system 22 for transporting one or more semiconductor wafers 20 through the optical cavity.

  8. Characterization technique for long optical fiber cavities based on beating spectrum of multi-longitudinal mode fiber laser and beating spectrum in the RF domain

    Science.gov (United States)

    Adib, George A.; Sabry, Yasser M.; Khalil, Diaa

    2016-03-01

    The characterization of long fiber cavities is essential for many systems to predict the system practical performance. The conventional techniques for optical cavity characterization are not suitable for long fiber cavities due to the cavities' small free spectral ranges and due to the length variations caused by the environmental effects. In this work, we present a novel technique to characterize long fiber cavities using multi-longitudinal mode fiber laser source and RF spectrum analyzer. The fiber laser source is formed in a ring configuration, where the fiber laser cavity length is chosen to be 15 km to ensure that the free spectral range is much smaller than the free spectral range of the characterized passive fiber cavities. The method has been applied experimentally to characterize ring cavities with lengths of 6.2 m and 2.4 km. The results are compared to theoretical predictions with very good agreement.

  9. Examination of the site amplification factor of OBS and their application to magnitude estimation and ground-motion prediction for EEW

    Science.gov (United States)

    Hayashimoto, N.; Hoshiba, M.

    2013-12-01

    1. Introduction Ocean bottom seismograph (OBS) is useful for making Earthquake Early Warning (EEW) earlier. However, careful handling of these data is required because the installation environment of OBSs may be different from that of land stations. Site amplification factor is an important factor to estimate the magnitudes, and to predict ground motions (e.g. seismic intensity) in EEW. In this presentation, we discuss the site amplification factor of OBS in the Tonankai area of Japan from these two points of view. 2. Examination of magnitude correction of OBS In the EEW of JMA, the magnitude is estimated from the maximum amplitude of the displacement in real time. To provide the fast magnitude estimation, the magnitude-estimation algorithm switches from the P to S formula (Meew(P) to Meew(S)) depending on the expected S-phase arrival (Kamigaichi,2004). To estimate the magnitude correction for OBS, we determine Meew(P) and Meew(S) at OBSs and compare them with JMA magnitude (Mjma). We find Meew(S) at OBS is generally larger than Mjma by approximately 0.6. The slight differences of spatial distribution of Meew(S) amplification are also found among other OBSs. From the numerical simulations, Nakamura et al. (MGR,submitted) pointed out that the oceanic layer and the low-velocity sediment layers causes the large amplifications in low frequency range (0.1-0.2Hz) at OBSs. We conclude that the site effect of OBS characterized by such a low velocity sediment layers causes those amplification of Magnitude. 3. The frequency-dependent site factor of OBS estimated from Fourier spectrum ratio and their application for prediction of seismic intensity of land station We compare Fourier spectra of S-wave portion on OBSs with those on adjacent land stations. Station pair whose distance is smaller than 50 km is analyzed, and we obtain that spectral ratio of land station (MIEH05 of the KiK-net/NIED) to OBS (KMA01 of the DONET/JAMSTEC) is 5-20 for frequencies 10-20Hz for both

  10. Magnesium Diboride thin Films, multilayers, and coatings for SRF cavities

    Energy Technology Data Exchange (ETDEWEB)

    Xi, Xiaoxing [Temple Univ., Philadelphia, PA (United States)

    2017-08-17

    Superconducting radio frequency (SRF) cavities currently use low-temperature superconductor niobium, and the Nb SRF cavities have approached the performance levels predicted theoretically. Compared to Nb, MgB2 becomes superconducting at a much higher temperature and promises a better RF performance in terms of higher quality factor Q and higher acceleration capability. An MgB2 SRF technology can significantly reduce the operating costs of particle accelerators when these potentials are realized. This project aimed to advance the development of an MgB2 SRF technology. It had two main objectives: (1) materials issues of MgB2 thin films and multilayers related to their applications in SRF cavities; and (2) coating single-cell cavities for testing at RF frequencies. The key technical thrust of the project is the deposition of high quality clean MgB2 films and coatings by the hybrid physical-chemical vapor deposition (HPCVD) technique, which was developed in my group. We have achieved technical progress in each of the two areas. For the first objective, we have confirmed that MgB2 thin film coatings can be used to effectively enhance the vortex penetration field of an SRF cavity. A vortex is a normal region in the shape of spaghetti that threads through a superconductor. Its existence is due to an applied magnetic field that is greater than a so-called lower critical field, Hc1. Once a vortex enters the superconductor, its movement leads to loss. This has been shown to be the reason for an SRF cavity to break down. Thus, enhancing the magnetic field for a vortex to enter the superconductor that forms the SRF cavity has be a goal of intense research. To this end, Gurevich proposed that a coating of thin superconductor layer can impede the vortex entrance. In this project, we have done two important experiment to test this concept. One, we showed that the enhancement of Hc1 can be

  11. Cavity QED experiments with ion Coulomb crystals

    DEFF Research Database (Denmark)

    Herskind, Peter Fønss; Dantan, Aurélien; Marler, Joan

    2009-01-01

    Cavity QED experimental results demonstrating collective strong coupling between ensembles of atomic ions cooled into Coulomb crystals and optical cavity fields have been achieved. Collective Zeeman coherence times of milliseconds have furthermore been obtained.......Cavity QED experimental results demonstrating collective strong coupling between ensembles of atomic ions cooled into Coulomb crystals and optical cavity fields have been achieved. Collective Zeeman coherence times of milliseconds have furthermore been obtained....

  12. An economical wireless cavity-nest viewer

    Science.gov (United States)

    Daniel P. Huebner; Sarah R. Hurteau

    2007-01-01

    Inspection of cavity nests and nest boxes is often required during studies of cavity-nesting birds, and fiberscopes and pole-mounted video cameras are sometimes used for such inspection. However, the cost of these systems may be prohibitive for some potential users. We describe a user-built, wireless cavity viewer that can be used to access cavities as high as 15 m and...

  13. Prediction and assessment of environmental impacts of Guangdong low-and-intermediate level radioactive waste disposal site

    International Nuclear Information System (INIS)

    Huang Yawen

    1996-01-01

    Guangdong Low-and Intermediate Level Radioactive Waste Disposal Site is located 5-7 km northeast to the Daya Bay Nuclear Power Plant. It is in a hilly area with strongly weathered light metamorphic quartz siltstone. The groundwater is 2 m below the repository bottom. The disposal unit is a U-shape concrete structure with drainage and water collecting system at the bottom. The designed cover is a multi-layer structure with functions of preventing from water infiltration, animal and plant intrusion. It is assumed that the engineered barriers would be effective to avoid waste immersion by surface water and groundwater within the first 100 years after closure. After 100 years, the engineered barriers would fail gradually. Radionuclides may release from the disposal unite. Some will enter the nearby stream, some will flow into the Daya Bay, and some will transport to groundwater through geologic media

  14. Identification and Validation of Novel Hedgehog-Responsive Enhancers Predicted by Computational Analysis of Ci/Gli Binding Site Density

    Science.gov (United States)

    Richards, Neil; Parker, David S.; Johnson, Lisa A.; Allen, Benjamin L.; Barolo, Scott; Gumucio, Deborah L.

    2015-01-01

    The Hedgehog (Hh) signaling pathway directs a multitude of cellular responses during embryogenesis and adult tissue homeostasis. Stimulation of the pathway results in activation of Hh target genes by the transcription factor Ci/Gli, which binds to specific motifs in genomic enhancers. In Drosophila, only a few enhancers (patched, decapentaplegic, wingless, stripe, knot, hairy, orthodenticle) have been shown by in vivo functional assays to depend on direct Ci/Gli regulation. All but one (orthodenticle) contain more than one Ci/Gli site, prompting us to directly test whether homotypic clustering of Ci/Gli binding sites is sufficient to define a Hh-regulated enhancer. We therefore developed a computational algorithm to identify Ci/Gli clusters that are enriched over random expectation, within a given region of the genome. Candidate genomic regions containing Ci/Gli clusters were functionally tested in chicken neural tube electroporation assays and in transgenic flies. Of the 22 Ci/Gli clusters tested, seven novel enhancers (and the previously known patched enhancer) were identified as Hh-responsive and Ci/Gli-dependent in one or both of these assays, including: Cuticular protein 100A (Cpr100A); invected (inv), which encodes an engrailed-related transcription factor expressed at the anterior/posterior wing disc boundary; roadkill (rdx), the fly homolog of vertebrate Spop; the segment polarity gene gooseberry (gsb); and two previously untested regions of the Hh receptor-encoding patched (ptc) gene. We conclude that homotypic Ci/Gli clustering is not sufficient information to ensure Hh-responsiveness; however, it can provide a clue for enhancer recognition within putative Hedgehog target gene loci. PMID:26710299

  15. Climate Modeling: Ocean Cavities below Ice Shelves

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Mark Roger [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Computer, Computational, and Statistical Sciences Division

    2016-09-12

    The Accelerated Climate Model for Energy (ACME), a new initiative by the U.S. Department of Energy, includes unstructured-mesh ocean, land-ice, and sea-ice components using the Model for Prediction Across Scales (MPAS) framework. The ability to run coupled high-resolution global simulations efficiently on large, high-performance computers is a priority for ACME. Sub-ice shelf ocean cavities are a significant new capability in ACME, and will be used to better understand how changing ocean temperature and currents influence glacial melting and retreat. These simulations take advantage of the horizontal variable-resolution mesh and adaptive vertical coordinate in MPAS-Ocean, in order to place high resolution below ice shelves and near grounding lines.

  16. Nanometer cavities studied by positron annihilation

    International Nuclear Information System (INIS)

    Mogensen, O.E.

    1992-01-01

    Positronium (Ps) is trapped in cavities in insulating solids, and the lifetime of ortho Ps is determined by the size of the cavity. The information on the properties of the cavities obtained by use of the standard slow positron beam and the 'normal' positron annihilation techniques is compared for several selected cases. (author)