WorldWideScience

Sample records for cavity sites predictions

  1. 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...

  2. Cavities

    Science.gov (United States)

    ... mother's bacteria from being passed to the child. Treatment of Cavities Fluoride Fillings Root canal or tooth extraction If ... to help the world be well. From developing new therapies that treat and prevent disease to helping people ...

  3. Cavities

    Science.gov (United States)

    ... Additional Content Medical News Cavities ˈkav-ət-ē (Dental Caries) By James T. Ubertalli, DMD, Private Practice, Hingham, ... access to dental care, and better treatment for tooth decay and periodontal disease. When teeth are lost, chewing is greatly hindered, and speaking ...

  4. Phosphorylation site prediction in plants.

    Science.gov (United States)

    Yao, Qiuming; Schulze, Waltraud X; Xu, Dong

    2015-01-01

    Protein phosphorylation events on serine, threonine, and tyrosine residues are the most pervasive protein covalent bond modifications in plant signaling. Both low and high throughput studies reveal the importance of phosphorylation in plant molecular biology. Although becoming more and more common, the proteome-wide screening on phosphorylation by experiments remains time consuming and costly. Therefore, in silico prediction methods are proposed as a complementary analysis tool to enhance the phosphorylation site identification, develop biological hypothesis, or help experimental design. These methods build statistical models based on the experimental data, and they do not have some of the technical-specific bias, which may have advantage in proteome-wide analysis. More importantly computational methods are very fast and cheap to run, which makes large-scale phosphorylation identifications very practical for any types of biological study. Thus, the phosphorylation prediction tools become more and more popular. In this chapter, we will focus on plant specific phosphorylation site prediction tools, with essential illustration of technical details and application guidelines. We will use Musite, PhosPhAt and PlantPhos as the representative tools. We will present the results on the prediction of the Arabidopsis protein phosphorylation events to give users a general idea of the performance range of the three tools, together with their strengths and limitations. We believe these prediction tools will contribute more and more to the plant phosphorylation research community.

  5. Coupled RANS/LES for SOFIA Cavity Acoustic Prediction

    Science.gov (United States)

    Woodruff, Stephen L.

    2010-01-01

    A fast but accurate approach is described for the determination of the aero-acoustic properties of a large cavity at subsonic flight speeds. This approach employs a detachededdy simulation model in the free-shear layer at the cavity opening and the surrounding boundary layer, but assumes inviscid flow in the cavity and in the far field. The reduced gridding requirements in the cavity, in particular, lead to dramatic improvements in the time required for the computation. Results of these computations are validated against wind-tunnel data. This approach will permit significantly more flight test points to be evaluated computationally in support of the Stratospheric Observatory For Infrared Astronomy flight-test program being carried out at NASA s Dryden Flight Research Center.

  6. 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.

  7. 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...

  8. 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/

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. Evolution of clutch size in cavity-excavating birds: the nest site limitation hypothesis revisited.

    Science.gov (United States)

    Wiebe, Karen L; Koenig, Walter D; Martin, Kathy

    2006-03-01

    There are two major competing hypotheses for variation in clutch size among cavity-nesting species. The nest site limitation hypothesis postulates that nesting opportunities are more limited for weak excavators, which consequently invest more in each breeding attempt by laying larger clutches. Alternatively, clutch size may be determined by diet; the clutch sizes of strong excavators may be smaller because they are able to specialize on a more seasonally stable prey. We built a conceptual model that integrated hypotheses for interspecific variation in clutch size and tested it with comparative data on life-history traits of woodpeckers (Picidae) and nuthatches (Sittidae). In most analyses, diet explained more variation in clutch size among species than did propensity to excavate. Migratory status was positively associated with clutch size but was difficult to distinguish from diet since resident species consumed more bark beetles (a prey available in winter) and had smaller clutches than migratory species. The literature suggests that cavities are not limited in natural, old-growth forests. Although our data do not rule out nest site limitation, we conclude that annual stability of food resources has a larger impact on the evolution of clutch sizes in excavators than does limitation of nest sites.

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

    Energy Technology Data Exchange (ETDEWEB)

    Moser, Duane; Russell, Chuck; Marshall, Matthew; Czerwinski, Ken; Daly, Michael J; Zavarin, Mavrik

    2008-02-08

    This exploratory research project is designed to test fundamental hypotheses concerning the possible existence and nature of indigenous microbial populations in Nevada Test Site (NTS) subsurface nuclear blast cavities. Although subsurface microbiological studies have been performed at the NTS in the past, radioactive zones have yet to be addressed. Nuclear blast zone microbiology is a completely new field and our team is well-positioned to collect and analyze samples that have never before been available to microbiologists. Relevant samples are now being obtained by incorporating microbiological collections into an ongoing annual hot well sampling program being conducted by other agencies. A combination of cultivation-based and molecular microbial detection protocols is being utilized at multiple locations to survey for uncultivable microorganisms and to develop a culture collection which will be characterized for radionuclide- and metal-reduction capabilities. Given that redox manipulations mediated by microorganisms can impact the mobility of DOE contaminants, a positive outcome from this work would have significant implications for management strategies at this and other DOE sites. A primary objective of the project has been the establishment of the regulatory and technical framework necessary to enable our acquisition of samples. Thus, much of our activity in the first phase of this work has involved the development an approved Field Area Work Plan (FAWP), Radiological Work Permit (RWP), and other documentation required for radiological work at the NTS. We have also invested significant time into ensuring that all personnel possess the required training (e.g. Radworker II and 40 hr. HAZWOPER) for access to the hot well sampling sites. Laboratory facilities, required for field processing of radioactive samples as well as DNA extraction and other manipulations, have been secured both the NTS (Mercury, NV) and UNLV. Although our year-1 field work was delayed due

  15. The role of wood hardness in limiting nest site selection in avian cavity excavators

    Science.gov (United States)

    Teresa J. Lorenz; Kerri T. Vierling; Timothy R. Johnson; Philip C. Fischer

    2015-01-01

    Woodpeckers and other primary cavity excavators (PCEs) are important worldwide for excavating cavities in trees, and a large number of studies have examined their nesting preferences. However, quantitative measures of wood hardness have been omitted from most studies, and ecologists have focused on the effects of external tree- and habitat-level features on nesting....

  16. 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.

  17. Text mining improves prediction of protein functional sites.

    Science.gov (United States)

    Verspoor, Karin M; Cohn, Judith D; Ravikumar, Komandur E; Wall, Michael 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.

  18. 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

  19. Molecularly imprinted protein recognition cavities bearing exchangeable binding sites for postimprinting site-directed introduction of reporter molecules for readout of binding events.

    Science.gov (United States)

    Sunayama, Hirobumi; Takeuchi, Toshifumi

    2014-11-26

    Protein-imprinted cavities bearing exchangeable domains to be used for postimprinting fluorophore introduction to transform binding events into fluorescence changes were constructed in molecularly imprinted polymer (MIPs) matrixes prepared on glass substrates. Copolymerization was performed with acrylamide, N,N'-methylenebisaclylamide, and a newly designed functional group-exchangeable monomer, ({[2-(2-methacrylamido)ethyldithio]ethylcarbamoyl}methoxy)acetic acid (MDTA), in the presence of a model basic protein, lysozyme (Lyso); MDTA can interact with Lyso and assemble close to Lyso in the resulting polymer. After removal of Lyso, followed by a disulfide reduction to cleave the (ethylcarbamoylmethoxy)acetic acid moiety from the MDTA residues, the exposed thiol groups within the imprinted cavities were modified by aminoethylpyridyldisulfide to be transformed into aminoethyl groups that function as active sites for amine-reactive fluorophores. Fluorescein isothiocyanate (FITC) was then coupled with the aminoethyl groups, yielding site specifically FITC-modified signaling imprinted cavities for Lyso binding. Because the in-cavity fluorescent labeling was achieved via a disulfide linkage, it was easy to remove, exchange, and/or replace amine-reactive fluorophores. This facilitated the screening of fluorophores to select the highest readout for binding events, replace fluorophores when photobleaching occurred, and introduce other functions. The proposed molecular imprinting process, combined with postimprinting modifications, is expected to provide an affordable route to develop multifunctional MIPs for specific detection of protein binding events.

  20. Nuclear magnetic resonance-based determination of dioxygen binding sites in protein cavities

    DEFF Research Database (Denmark)

    Kitahara, Ryo; Sakuraba, Shun; Kameda, Tomoshi

    2018-01-01

    The location and ligand accessibility of internal cavities in cysteine-free wild-type T4 lysozyme was investigated using O2 gas-pressure NMR spectroscopy and molecular dynamics (MD) simulation. Upon increasing the concentration of dissolved O2 in solvent to 8.9 mM, O2 -induced paramagnetic relaxa...

  1. 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...... and when estimating surface subsidence....

  2. Nucleosome structure incorporated histone acetylation site prediction in Arabidopsis thaliana.

    Science.gov (United States)

    Zhao, Chen; Liu, Hui; Li, Jiang; Deng, Youping; Shi, Tieliu

    2010-11-02

    Acetylation is a crucial post-translational modification for histones, and plays a key role in gene expression regulation. Due to limited data and lack of a clear acetylation consensus sequence, a few researches have focused on prediction of lysine acetylation sites. Several systematic prediction studies have been conducted for human and yeast, but less for Arabidopsis thaliana. Concerning the insufficient observation on acetylation site, we analyzed contributions of the peptide-alignment-based distance definition and 3D structure factors in acetylation prediction. We found that traditional structure contributes little to acetylation site prediction. Identified acetylation sites of histones in Arabidopsis thaliana are conserved and cross predictable with that of human by peptide based methods. However, the predicted specificity is overestimated, because of the existence of non-observed acetylable site. Here, by performing a complete exploration on the factors that affect the acetylability of lysines in histones, we focused on the relative position of lysine at nucleosome level, and defined a new structure feature to promote the performance in predicting the acetylability of all the histone lysines in A. thaliana. We found a new spacial correlated acetylation factor, and defined a ε-N spacial location based feature, which contains five core spacial ellipsoid wired areas. By incorporating the new feature, the performance of predicting the acetylability of all the histone lysines in A. Thaliana was promoted, in which the previous mispredicted acetylable lysines were corrected by comparing to the peptide-based prediction.

  3. 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.

  4. 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

  5. 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 ...

  6. Foraging Habitat Quality Constrains Effectiveness of Artificial Nest-Site Provisioning in Reversing Population Declines in a Colonial Cavity Nester

    Science.gov (United States)

    Catry, Inês; Franco, Aldina M. A.; Rocha, Pedro; Alcazar, Rita; Reis, Susana; Cordeiro, Ana; Ventim, Rita; Teodósio, Joaquim; Moreira, Francisco

    2013-01-01

    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 km2 vs. 18.8 and 14.8 km2) 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-quality habitat areas

  7. 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

  8. 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

  9. 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

  10. Validation of wind speed prediction methods at offshore sites

    Science.gov (United States)

    McQueen, Dougal; Watson, Simon

    2006-01-01

    As ever more offshore sites are being investigated for the installation of wind farms, there is a need for accurate estimates of the long-term mean wind speeds at these sites. The cost of installing masts at offshore sites is high compared with onshore sites. In the short term this cost may be difficult to avoid. However, if a developer could get an estimate of the expected long-term mean wind speed at a potential offshore site using available onshore data sets, this could at least inform the choice of site for more advanced monitoring. With this in mind we present the results of using a number of simple standard analyses to infer the wind speed at three UK offshore masts and a mast and lighthouse off the coast of Ireland. Onshore surface wind measurements, upper air measurements, numerical weather prediction model output pressure data on a regular grid, wind speed output from two numerical weather prediction models and reanalysis data are transformed to the sites of interest using relatively simple methods neglecting the effect of topography or a roughness change-induced internal boundary layer and assuming neutral atmospheric stability. The predicted wind speeds are compared with actual measurements at the offshore masts and any discrepancies are assessed and discussed. Copyright

  11. Accurate prediction of peptide binding sites on protein surfaces.

    Directory of Open Access Journals (Sweden)

    Evangelia Petsalaki

    2009-03-01

    Full Text Available Many important protein-protein interactions are mediated by the binding of a short peptide stretch in one protein to a large globular segment in another. Recent efforts have provided hundreds of examples of new peptides binding to proteins for which a three-dimensional structure is available (either known experimentally or readily modeled but where no structure of the protein-peptide complex is known. To address this gap, we present an approach that can accurately predict peptide binding sites on protein surfaces. For peptides known to bind a particular protein, the method predicts binding sites with great accuracy, and the specificity of the approach means that it can also be used to predict whether or not a putative or predicted peptide partner will bind. We used known protein-peptide complexes to derive preferences, in the form of spatial position specific scoring matrices, which describe the binding-site environment in globular proteins for each type of amino acid in bound peptides. We then scan the surface of a putative binding protein for sites for each of the amino acids present in a peptide partner and search for combinations of high-scoring amino acid sites that satisfy constraints deduced from the peptide sequence. The method performed well in a benchmark and largely agreed with experimental data mapping binding sites for several recently discovered interactions mediated by peptides, including RG-rich proteins with SMN domains, Epstein-Barr virus LMP1 with TRADD domains, DBC1 with Sir2, and the Ago hook with Argonaute PIWI domain. The method, and associated statistics, is an excellent tool for predicting and studying binding sites for newly discovered peptides mediating critical events in biology.

  12. Effects of cavities at the nicotinamide binding site of liver alcohol dehydrogenase on structure, dynamics and catalysis.

    Science.gov (United States)

    Yahashiri, Atsushi; Rubach, Jon K; Plapp, Bryce V

    2014-02-11

    A role for protein dynamics in enzymatic catalysis of hydrogen transfer has received substantial scientific support, but the connections between protein structure and catalysis remain to be established. Valine residues 203 and 207 are at the binding site for the nicotinamide ring of the coenzyme in liver alcohol dehydrogenase and have been suggested to facilitate catalysis with "protein-promoting vibrations" (PPV). We find that the V207A substitution has small effects on steady-state kinetic constants and the rate of hydrogen transfer; the introduced cavity is empty and is tolerated with minimal effects on structure (determined at 1.2 Å for the complex with NAD(+) and 2,3,4,5,6-pentafluorobenzyl alcohol). Thus, no evidence is found to support a role for Val-207 in the dynamics of catalysis. The protein structures and ligand geometries (including donor-acceptor distances) in the V203A enzyme complexed with NAD(+) and 2,3,4,5,6-pentafluorobenzyl alcohol or 2,2,2-trifluoroethanol (determined at 1.1 Å) are very similar to those for the wild-type enzyme, except that the introduced cavity accommodates a new water molecule that contacts the nicotinamide ring. The structures of the V203A enzyme complexes suggest, in contrast to previous studies, that the diminished tunneling and decreased rate of hydride transfer (16-fold, relative to that of the wild-type enzyme) are not due to differences in ground-state ligand geometries. The V203A substitution may alter the PPV and the reorganization energy for hydrogen transfer, but the protein scaffold and equilibrium thermal motions within the Michaelis complex may be more significant for enzyme catalysis.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. Functional and catalytic active sites prediction and docking analysis ...

    African Journals Online (AJOL)

    Bioinformatics

    2015-07-01

    Jul 1, 2015 ... African Journal of Biotechnology. Full Length Research Paper. Functional and catalytic active sites prediction and docking analysis of azoreductase enzyme in. Pseudomonas putida with a variety of commercially available azodyes. Bikash Thakuria, Chandra J Singha, Premchand Maisnam and Samrat ...

  18. Prediction of S-glutathionylation sites based on protein sequences.

    Directory of Open Access Journals (Sweden)

    Chenglei Sun

    Full Text Available S-glutathionylation, the reversible formation of mixed disulfides between glutathione(GSH and cysteine residues in proteins, is a specific form of post-translational modification that plays important roles in various biological processes, including signal transduction, redox homeostasis, and metabolism inside cells. Experimentally identifying S-glutathionylation sites is labor-intensive and time consuming, whereas bioinformatics methods provide an alternative way to this problem by predicting S-glutathionylation sites in silico. The bioinformatics approaches give not only candidate sites for further experimental verification but also bio-chemical insights into the mechanism of S-glutathionylation. In this paper, we firstly collect experimentally determined S-glutathionylated proteins and their corresponding modification sites from the literature, and then propose a new method for predicting S-glutathionylation sites by employing machine learning methods based on protein sequence data. Promising results are obtained by our method with an AUC (area under ROC curve score of 0.879 in 5-fold cross-validation, which demonstrates the predictive power of our proposed method. The datasets used in this work are available at http://csb.shu.edu.cn/SGDB.

  19. Predicting the binding modes and sites of metabolism of xenobiotics.

    Science.gov (United States)

    Mukherjee, Goutam; Lal Gupta, Pancham; Jayaram, B

    2015-07-01

    Metabolism studies are an essential integral part of ADMET profiling of drug candidates to evaluate their safety and efficacy. Cytochrome P-450 (CYP) metabolizes a wide variety of xenobiotics/drugs. The binding modes of these compounds with CYP and their intrinsic reactivities decide the metabolic products. We report here a novel computational protocol, which comprises docking of ligands to heme-containing CYPs and prediction of binding energies through a newly developed scoring function, followed by analyses of the docked structures and molecular orbitals of the ligand molecules, for predicting the sites of metabolism (SOM) of ligands. The calculated binding free energies of 121 heme-containing protein-ligand docked complexes yielded a correlation coefficient of 0.84 against experiment. Molecular orbital analyses of the resultant top three unique poses of the docked complexes provided a success rate of 87% in identifying the experimentally known sites of metabolism of the xenobiotics. The SOM prediction methodology is freely accessible at .

  20. 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

  1. HMMpTM: improving transmembrane protein topology prediction using phosphorylation and glycosylation site prediction.

    Science.gov (United States)

    Tsaousis, Georgios N; Bagos, Pantelis G; Hamodrakas, Stavros J

    2014-02-01

    During the last two decades a large number of computational methods have been developed for predicting transmembrane protein topology. Current predictors rely on topogenic signals in the protein sequence, such as the distribution of positively charged residues in extra-membrane loops and the existence of N-terminal signals. However, phosphorylation and glycosylation are post-translational modifications (PTMs) that occur in a compartment-specific manner and therefore the presence of a phosphorylation or glycosylation site in a transmembrane protein provides topological information. We examine the combination of phosphorylation and glycosylation site prediction with transmembrane protein topology prediction. We report the development of a Hidden Markov Model based method, capable of predicting the topology of transmembrane proteins and the existence of kinase specific phosphorylation and N/O-linked glycosylation sites along the protein sequence. Our method integrates a novel feature in transmembrane protein topology prediction, which results in improved performance for topology prediction and reliable prediction of phosphorylation and glycosylation sites. The method is freely available at http://bioinformatics.biol.uoa.gr/HMMpTM. Copyright © 2013 Elsevier B.V. All rights reserved.

  2. Scoring functions for transcription factor binding site prediction

    Directory of Open Access Journals (Sweden)

    Friberg Markus

    2005-04-01

    Full Text Available Abstract Background Transcription factor binding site (TFBS prediction is a difficult problem, which requires a good scoring function to discriminate between real binding sites and background noise. Many scoring functions have been proposed in the literature, but it is difficult to assess their relative performance, because they are implemented in different software tools using different search methods and different TFBS representations. Results Here we compare how several scoring functions perform on both real and semi-simulated data sets in a common test environment. We have also developed two new scoring functions and included them in the comparison. The data sets are from the yeast (S. cerevisiae genome. Our new scoring function LLBG (least likely under the background model performs best in this study. It achieves the best average rank for the correct motifs. Scoring functions based on positional bias performed quite poorly in this study. Conclusion LLBG may provide an interesting alternative to current scoring functions for TFBS prediction.

  3. The Sulfinator: predicting tyrosine sulfation sites in protein sequences.

    Science.gov (United States)

    Monigatti, Flavio; Gasteiger, Elisabeth; Bairoch, Amos; Jung, Eva

    2002-05-01

    Protein tyrosine sulfation is an important post-translational modification of proteins that go through the secretory pathway. No clear-cut acceptor motif can be defined that allows the prediction of tyrosine sulfation sites in polypeptide chains. The Sulfinator is a software tool that can be used to predict tyrosine sulfation sites in protein sequences with an overall accuracy of 98%. Four different Hidden Markov Models were constructed, each of them specialized to recognize sulfated tyrosine residues depending on their location within the sequence: near the N-terminus, near the C-terminus, in the center of a window with a size of at least 25 amino acids, as well as in windows containing several tyrosine residues. The Sulfinator is accessible at (http://www.expasy.org/tools/sulfinator/). Sulfinator documentation is accessible at (http://www.expasy.org/tools/sulfinator/sulfinator-doc.html).

  4. 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.

  5. 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

  6. 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

  7. Binding site graphs: a new graph theoretical framework for prediction of transcription factor binding sites.

    Directory of Open Access Journals (Sweden)

    Timothy E Reddy

    2007-05-01

    Full Text Available Computational prediction of nucleotide binding specificity for transcription factors remains a fundamental and largely unsolved problem. Determination of binding positions is a prerequisite for research in gene regulation, a major mechanism controlling phenotypic diversity. Furthermore, an accurate determination of binding specificities from high-throughput data sources is necessary to realize the full potential of systems biology. Unfortunately, recently performed independent evaluation showed that more than half the predictions from most widely used algorithms are false. We introduce a graph-theoretical framework to describe local sequence similarity as the pair-wise distances between nucleotides in promoter sequences, and hypothesize that densely connected subgraphs are indicative of transcription factor binding sites. Using a well-established sampling algorithm coupled with simple clustering and scoring schemes, we identify sets of closely related nucleotides and test those for known TF binding activity. Using an independent benchmark, we find our algorithm predicts yeast binding motifs considerably better than currently available techniques and without manual curation. Importantly, we reduce the number of false positive predictions in yeast to less than 30%. We also develop a framework to evaluate the statistical significance of our motif predictions. We show that our approach is robust to the choice of input promoters, and thus can be used in the context of predicting binding positions from noisy experimental data. We apply our method to identify binding sites using data from genome scale ChIP-chip experiments. Results from these experiments are publicly available at http://cagt10.bu.edu/BSG. The graphical framework developed here may be useful when combining predictions from numerous computational and experimental measures. Finally, we discuss how our algorithm can be used to improve the sensitivity of computational predictions of

  8. A machine learning approach for predicting methionine oxidation sites.

    Science.gov (United States)

    Aledo, Juan C; Cantón, Francisco R; Veredas, Francisco J

    2017-09-29

    The oxidation of protein-bound methionine to form methionine sulfoxide, has traditionally been regarded as an oxidative damage. However, recent evidences support the view of this reversible reaction as a regulatory post-translational modification. The perception that methionine sulfoxidation may provide a mechanism to the redox regulation of a wide range of cellular processes, has stimulated some proteomic studies. However, these experimental approaches are expensive and time-consuming. Therefore, computational methods designed to predict methionine oxidation sites are an attractive alternative. As a first approach to this matter, we have developed models based on random forests, support vector machines and neural networks, aimed at accurate prediction of sites of methionine oxidation. Starting from published proteomic data regarding oxidized methionines, we created a hand-curated dataset formed by 113 unique polypeptides of known structure, containing 975 methionyl residues, 122 of which were oxidation-prone (positive dataset) and 853 were oxidation-resistant (negative dataset). We use a machine learning approach to generate predictive models from these datasets. Among the multiple features used in the classification task, some of them contributed substantially to the performance of the predictive models. Thus, (i) the solvent accessible area of the methionine residue, (ii) the number of residues between the analyzed methionine and the next methionine found towards the N-terminus and (iii) the spatial distance between the atom of sulfur from the analyzed methionine and the closest aromatic residue, were among the most relevant features. Compared to the other classifiers we also evaluated, random forests provided the best performance, with accuracy, sensitivity and specificity of 0.7468±0.0567, 0.6817±0.0982 and 0.7557±0.0721, respectively (mean ± standard deviation). We present the first predictive models aimed to computationally detect methionine sites that

  9. 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.

  10. 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.

  11. TetAB46, a predicted heterodimeric ABC transporter conferring tetracycline resistance in Streptococcus australis isolated from the oral cavity.

    Science.gov (United States)

    Warburton, Philip J; Ciric, Lena; Lerner, Avigdor; Seville, Lorna A; Roberts, Adam P; Mullany, Peter; Allan, Elaine

    2013-01-01

    To identify the genes responsible for tetracycline resistance in a strain of Streptococcus australis isolated from pooled saliva from healthy volunteers in France. S. australis is a viridans Streptococcus, originally isolated from the oral cavity of children in Australia, and subsequently reported in the lungs of cystic fibrosis patients and as a cause of invasive disease in an elderly patient. Agar containing 2 mg/L tetracycline was used for the isolation of tetracycline-resistant organisms. A genomic library in Escherichia coli was used to isolate the tetracycline resistance determinant. In-frame deletions and chromosomal repair were used to confirm function. Antibiotic susceptibility was determined by agar dilution and disc diffusion assay. The tetracycline resistance determinant from S. australis FRStet12 was isolated from a genomic library in E. coli and DNA sequencing showed two open reading frames predicted to encode proteins with similarity to multidrug resistance-type ABC transporters. Both genes were required for tetracycline resistance (to both the naturally occurring and semi-synthetic tetracyclines) and they were designated tetAB(46). This is the first report of a predicted ABC transporter conferring tetracycline resistance in a member of the oral microbiota.

  12. 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.

  13. Can metastatic lymph node ratio (LNR) predict survival in oral cavity cancer patients?

    Science.gov (United States)

    Sayed, Suhail I; Sharma, Shilpi; Rane, Pawan; Vaishampayan, Sagar; Talole, Sanjay; Chaturvedi, Pankaj; Chaukar, Devendra; Deshmukh, Anuja; Agarwal, Jai Prakash; D'cruz, Anil K

    2013-09-01

    To evaluate the prognostic role of the lymph node ratio (LNR; ratio of total positive nodes to total dissected nodes) in oral squamous cell carcinoma (OSCC) as compared to pN staging with an aim to provide an optimal cut-off value. 1,408 OSCC previously untreated patients who underwent treatment (surgery + neck dissection + adjuvant treatment). LNR sensitivity with respect to survival was calculated using receiver operating characteristic (ROC) curves and Cox regression method. LNR and TNM staging variables were subjected to multivariate analysis. LNR (0.088) showed significant association with survival outcomes. For patients with LNR ≤0.088, the OS, DFS, local control, regional control and distant metastasis rates were 64%, 70%, and 89%; for LNR >0.088 it was 22%, 19%, and 52%, respectively (P analysis LNR of 0.088 was seen to be an independent prognostic factor for 5-year regional control (p, hazard ratio [95% confidence interval]; 0.044, 2.016 (1.019-3.990), DFS, 0.032, 1.858 (1.054-3.276), and OS, 0.040, 1.195 (1.033-1.144). On multivariate analysis LNR categorization showed a statistically significant [0.032, 1.858, (1.054-3.276)] advantage over pN staging [0.527, 1.208 (1.054-3.276)] in predicting survival. LNR is a better prognostic marker than the current N staging of TNM classification. Copyright © 2013 Wiley Periodicals, Inc.

  14. Multifocal electroretinogram delays predict sites of subsequent diabetic retinopathy.

    Science.gov (United States)

    Han, Ying; Bearse, Marcus A; Schneck, Marilyn E; Barez, Shirin; Jacobsen, Carl H; Adams, Anthony J

    2004-03-01

    To examine the potential of abnormal mfERGs to predict the development of diabetic retinopathy at corresponding retinal locations 1 year later. One eye of 11 diabetic patients with nonproliferative diabetic retinopathy (NPDR) and 11 diabetic patients without retinopathy were retested 12 months after initial testing. At each time, mfERGs were recorded from 103 retinal locations, and fundus photographs were taken within 1 month of each recording. Local mfERG implicit times were measured and their z-scores were calculated based on results obtained from 20 age-matched control subjects. mfERG abnormalities were defined as z-scores of 2 or more for implicit time and z-scores of -2 or less for amplitude (P retinopathy at follow-up was examined. New retinopathy developed in 7 of the eyes with NPDR after 1 year. In these eyes, 70% of the mfERGs in areas of new retinopathy had abnormal implicit times at baseline. In contrast, only 24% of the responses in regions that remained retinopathy free were abnormal at baseline. Relative risk of development of new retinopathy over 1 year in the areas with abnormal baseline mfERG implicit times was approximately 21 times greater than that in the areas with normal baseline mfERGs (odds ratio = 31.4; P retinopathy did not develop new retinopathy within the study period, although 4 of these 11 eyes had abnormal implicit times at baseline. mfERG implicit times tended to be more delayed at follow-up than at baseline in NPDR eyes, but not in eyes without retinopathy and control eyes. mfERG amplitudes had no predictive power. Localized functional abnormalities of the retina reflected by mfERG delays often precede the onset of new structural signs of diabetic retinopathy. Those functional abnormalities predict the local sites of new retinopathy observed 1 year later.

  15. 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

  16. Do risk calculators accurately predict surgical site occurrences?

    Science.gov (United States)

    Mitchell, Thomas O; Holihan, Julie L; Askenasy, Erik P; Greenberg, Jacob A; Keith, Jerrod N; Martindale, Robert G; Roth, John Scott; Liang, Mike K

    2016-06-01

    Current risk assessment models for surgical site occurrence (SSO) and surgical site infection (SSI) after open ventral hernia repair (VHR) have limited external validation. Our aim was to determine (1) whether existing models stratify patients into groups by risk and (2) which model best predicts the rate of SSO and SSI. Patients who underwent open VHR and were followed for at least 1 mo were included. Using two data sets-a retrospective multicenter database (Ventral Hernia Outcomes Collaborative) and a single-center prospective database (Prospective)-each patient was assigned a predicted risk with each of the following models: Ventral Hernia Risk Score (VHRS), Ventral Hernia Working Group (VHWG), Centers for Disease Control and Prevention Wound Class, and Hernia Wound Risk Assessment Tool (HW-RAT). Patients in the Prospective database were also assigned a predicted risk from the American College of Surgeons National Surgical Quality Improvement Program (ACS-NSQIP). Areas under the receiver operating characteristic curve (area under the curve [AUC]) were compared to assess the predictive accuracy of the models for SSO and SSI. Pearson's chi-square was used to determine which models were able to risk-stratify patients into groups with significantly differing rates of actual SSO and SSI. The Ventral Hernia Outcomes Collaborative database (n = 795) had an overall SSO and SSI rate of 23% and 17%, respectively. The AUCs were low for SSO (0.56, 0.54, 0.52, and 0.60) and SSI (0.55, 0.53, 0.50, and 0.58). The VHRS (P = 0.01) and HW-RAT (P < 0.01) significantly stratified patients into tiers for SSO, whereas the VHWG (P < 0.05) and HW-RAT (P < 0.05) stratified for SSI. In the Prospective database (n = 88), 14% and 8% developed an SSO and SSI, respectively. The AUCs were low for SSO (0.63, 0.54, 0.50, 0.57, and 0.69) and modest for SSI (0.81, 0.64, 0.55, 0.62, and 0.73). The ACS-NSQIP (P < 0.01) stratified for SSO, whereas the VHRS (P < 0.01) and ACS

  17. Dental cavities

    Science.gov (United States)

    ... acids in plaque damage the enamel covering your teeth. It also creates holes in the tooth called cavities. Cavities usually do not hurt, unless they grow very large and affect nerves or cause a tooth fracture. An untreated cavity can lead to an infection ...

  18. Seismic resonances of acoustic cavities

    Science.gov (United States)

    Schneider, F. M.; Esterhazy, S.; Perugia, I.; Bokelmann, G.

    2016-12-01

    The goal of an On-Site Inspection (OSI) is to clarify at a possible testsite whether a member state of the Comprehensive nuclear Test Ban Treaty (CTBT)has violated its rules by conducting a underground nuclear test. Compared toatmospheric and underwater tests underground nuclear explosions are the mostdifficult to detect.One primary structural target for the field team during an OSI is the detectionof an underground cavity, created by underground nuclear explosions. Theapplication of seismic-resonances of the cavity for its detection has beenproposed in the CTBT by mentioning "resonance seismometry" as possibletechnique during OSIs. We modeled the interaction of a seismic wave-field withan underground cavity by a sphere filled with an acoustic medium surrounded byan elastic full space. For this setting the solution of the seismic wave-fieldcan be computed analytically. Using this approach the appearance of acousticresonances can be predicted in the theoretical calculations. Resonance peaksappear in the spectrum derived for the elastic domain surrounding the acousticcavity, which scale in width with the density of the acoustic medium. For lowdensities in the acoustic medium as for an gas-filled cavity, the spectralpeaks become very narrow and therefore hard to resolve. The resonancefrequencies, however can be correlated to the discrete set of eigenmodes of theacoustic cavity and can thus be predicted if the dimension of the cavity isknown. Origin of the resonance peaks are internal reverberations of wavescoupling in the acoustic domain and causing an echoing signal that couples outto the elastic domain again. In the gas-filled case the amplitudes in timedomain are very low.Beside theoretical considerations we seek to find real data examples fromsimilar settings. As example we analyze a 3D active seismic data set fromFelsőpetény, Hungary that has been conducted between 2012 and 2014 on behalf ofthe CTBTO. In the subsurface of this area a former clay mine is

  19. Cavity-cavity conditional logic

    Science.gov (United States)

    Rosenblum, Serge; Gao, Yvonne Y.; Reinhold, Philip; Wang, Chen; Axline, Christopher; Frunzio, Luigi; Girvin, Steven M.; Jiang, Liang; Mirrahimi, Mazyar; Devoret, Michel H.; Schoelkopf, Robert J.

    In a superconducting circuit architecture, the highest coherence times are typically offered by 3D cavities. Moreover, these cavities offer a hardware-efficient way of redundantly encoding quantum information. While single-qubit control on a cavity has already been demonstrated, there is a need for a universal two-qubit gate between such cavities. In this talk, we demonstrate a cavity-cavity gate by parametric pumping on a fixed-frequency transmon interacting with the two cavities. Every gate application lowers the state fidelity by only 1%, while maintaining an entangling rate on-off ratio of 29dB. Additionally, we show that the gate is applicable not only to qubits consisting of single photons, but also to more complex encodings. These results illustrate the usefulness of cavities beyond the mere storage of quantum information, and pave the way towards gates between error-corrected logical qubits.

  20. The next generation of transcription factor binding site prediction.

    Directory of Open Access Journals (Sweden)

    Anthony Mathelier

    Full Text Available Finding where transcription factors (TFs bind to the DNA is of key importance to decipher gene regulation at a transcriptional level. Classically, computational prediction of TF binding sites (TFBSs is based on basic position weight matrices (PWMs which quantitatively score binding motifs based on the observed nucleotide patterns in a set of TFBSs for the corresponding TF. Such models make the strong assumption that each nucleotide participates independently in the corresponding DNA-protein interaction and do not account for flexible length motifs. We introduce transcription factor flexible models (TFFMs to represent TF binding properties. Based on hidden Markov models, TFFMs are flexible, and can model both position interdependence within TFBSs and variable length motifs within a single dedicated framework. The availability of thousands of experimentally validated DNA-TF interaction sequences from ChIP-seq allows for the generation of models that perform as well as PWMs for stereotypical TFs and can improve performance for TFs with flexible binding characteristics. We present a new graphical representation of the motifs that convey properties of position interdependence. TFFMs have been assessed on ChIP-seq data sets coming from the ENCODE project, revealing that they can perform better than both PWMs and the dinucleotide weight matrix extension in discriminating ChIP-seq from background sequences. Under the assumption that ChIP-seq signal values are correlated with the affinity of the TF-DNA binding, we find that TFFM scores correlate with ChIP-seq peak signals. Moreover, using available TF-DNA affinity measurements for the Max TF, we demonstrate that TFFMs constructed from ChIP-seq data correlate with published experimentally measured DNA-binding affinities. Finally, TFFMs allow for the straightforward computation of an integrated TF occupancy score across a sequence. These results demonstrate the capacity of TFFMs to accurately model DNA

  1. Alteration in the cavity size adjacent to the active site of RB69 DNA polymerase changes its conformational dynamics.

    Science.gov (United States)

    Xia, Shuangluo; Wood, Marcus; Bradley, Michael J; De La Cruz, Enrique M; Konigsberg, William H

    2013-10-01

    Internal cavities are a common feature of many proteins, often having profound effects on the dynamics of their interactions with substrate and binding partners. RB69 DNA polymerase (pol) has a hydrophobic cavity right below the nucleotide binding pocket at the tip of highly conserved L415 side chain. Replacement of this residue with Gly or Met in other B family pols resulted in higher mutation rates. When similar substitutions for L415 were introduced into RB69pol, only L415A and L415G had dramatic effects on pre-steady-state kinetic parameters, reducing base selectivity by several hundred fold. On the other hand, the L415M variant behaved like the wild-type. Using a novel tC(o)-tCnitro Förster Resonance Energy Transfer (FRET) assay, we were able to show that the partition of the primer terminus between pol and exonuclease (exo) domains was compromised with the L415A and L415G mutants, but not with the L415M variant. These results could be rationalized by changes in their structures as determined by high resolution X-ray crystallography.

  2. Snow multivariable data assimilation for hydrological predictions in Alpine sites

    Science.gov (United States)

    Piazzi, Gaia; Thirel, Guillaume; Campo, Lorenzo; Gabellani, Simone; Stevenin, Hervè

    2017-04-01

    Snowpack dynamics (snow accumulation and ablation) strongly impacts on hydrological processes in Alpine areas. During the winter season the presence of snow cover (snow accumulation) reduces the drainage in the basin with a resulting lower watershed time of concentration in case of possible rainfall events. Moreover, the release of the significant water volume stored in winter (snowmelt) considerably contributes to the total discharge during the melting period. Therefore when modeling hydrological processes in snow-dominated catchments the quality of predictions deeply depends on how the model succeeds in catching snowpack dynamics. The integration of a hydrological model with a snow module allows improving predictions of river discharges. Besides the well-known modeling limitations (uncertainty in parameterizations; possible errors affecting both meteorological forcing data and initial conditions; approximations in boundary conditions), there are physical factors that make an exhaustive reconstruction of snow dynamics complicated: snow intermittence in space and time, stratification and slow phenomena like metamorphism processes, uncertainty in snowfall evaluation, wind transportation, etc. Data Assimilation (DA) techniques provide an objective methodology to combine several independent snow-related data sources (model simulations, ground-based measurements and remote sensed observations) in order to obtain the most likely estimate of snowpack state. This study presents SMASH (Snow Multidata Assimilation System for Hydrology), a multi-layer snow dynamic model strengthened by a multivariable DA framework for hydrological purposes. The model is physically based on mass and energy balances and can be used to reproduce the main physical processes occurring within the snowpack: accumulation, density dynamics, melting, sublimation, radiative balance, heat and mass exchanges. The model is driven by observed forcing meteorological data (air temperature, wind velocity

  3. Cavity types

    CERN Document Server

    Gerigk, Frank

    2011-01-01

    In the field of particle accelerators the most common use of RF cavities is to increase the particle velocity of traversing particles. This feature makes them one of the core ingredients of every accelerator, and in the case of linear accelerators they are even the dominant machine component. Since there are many different types of accelerator, RF cavities have been optimized for different purposes and with different abilities, e.g., cavities with fixed or variable RF frequency, cavities for short or long pulses/CW operation, superconducting and normal-conducting cavities. This lecture starts with a brief historical introduction and an explanation on how to get from Maxwell's equations to a simple cavity. Then, cavities will be classified by the type of mode that is employed for acceleration, and an explanation is given as to why certain modes are used in particular cavity types. The lecture will close with a comparison of normal versus superconducting cavities and a few words on the actual power consumption ...

  4. 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

  5. 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

    , 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....... The nanoholes are located relative to cross markers which allows for a precise spatial alignment of the site-controlled QDs (SCQDs) and the photonic modes of high quality microcavites with an accuracy better than 50 nm. We also address the optical quality of the SCQDs in terms of the single SCQD emission mode...... layer we determine a quantum efficiency of the SCQD close to 50% and an oscillator strength of about 10. Finally, single photon emission with associated with g(2)(0) = 0.12 of a weakly coupled SCQD-micropillar system will be presented....

  6. 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.

  7. 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...

  8. QNA-Based Prediction of Sites of Metabolism

    OpenAIRE

    Olga Tarasova; Anastassia Rudik; Alexander Dmitriev; Alexey Lagunin; Dmitry Filimonov; Vladimir Poroikov

    2017-01-01

    Metabolism of xenobiotics (Greek xenos: exogenous substances) plays an essential role in the prediction of biological activity and testing for the subsequent research and development of new drug candidates. Integration of various methods and techniques using different computational and experimental approaches is one of the keys to a successful metabolism prediction. While multiple structure-based and ligand-based approaches to metabolism prediction exist, the most important problem arises at ...

  9. 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

  10. 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...

  11. 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.

  12. 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.

  13. SSFinder: High Throughput CRISPR-Cas Target Sites Prediction Tool

    Directory of Open Access Journals (Sweden)

    Santosh Kumar Upadhyay

    2014-01-01

    Full Text Available Clustered regularly interspaced short palindromic repeats (CRISPR and CRISPR-associated protein (Cas system facilitates targeted genome editing in organisms. Despite high demand of this system, finding a reliable tool for the determination of specific target sites in large genomic data remained challenging. Here, we report SSFinder, a python script to perform high throughput detection of specific target sites in large nucleotide datasets. The SSFinder is a user-friendly tool, compatible with Windows, Mac OS, and Linux operating systems, and freely available online.

  14. 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...

  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. 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.

  17. 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...... degradation data become available....

  18. Kinase-specific prediction of protein phosphorylation sites

    DEFF Research Database (Denmark)

    Miller, Martin Lee; Blom, Nikolaj

    2009-01-01

    As extensive mass spectrometry-based mapping of the phosphoproteome progresses, computational analysis of phosphorylation-dependent signaling becomes increasingly important. The linear sequence motifs that surround phosphorylated residues have successfully been used to characterize kinase......-substrate specificity. Here, we briefly describe the available resources for predicting kinase-specific phosphorylation from sequence properties. We address the strengths and weaknesses of these resources, which are based on methods ranging from simple consensus patterns to more advanced machine-learning algorithms...

  19. 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.

  20. 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.

  1. 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.

  2. Predicting data popularity using Bayesian networks over ATLAS grid sites

    CERN Document Server

    AUTHOR|(CDS)2072085; The ATLAS collaboration; Klimentov, A; De, K

    2012-01-01

    One of the primary tasks in resource utilization of the Distributed Computing at the ATLAS experiment is to replicate newly obtained data from the Production and Distributed Analysis System (PanDA) over grid while minimizing the number of data replicas, but on the other hand if a dataset becomes popular, such replicas should be encouraged to distribute the workload more evenly. To make this feasible it is of significant importance to know, with a good probability, how popular particular datasets will be in future. We are focusing on the analysis of data usage in PanDA system that provides efficient and transparent utilization of the grid for production and analysis tasks. The initial data popularity analysis was done at “A Probabilistic Analysis of Data Popularity in ATLAS Data Caching”, and an idea of Bayesian networks (a high-level representation of a probability distribution over a set of stochastic variables that are used for building a model of the problem domain) for popularity prediction has surfac...

  3. Predicting DNAPL Source Zone and Plume Response Using Site-Measured Characteristics

    Science.gov (United States)

    2017-05-19

    FINAL REPORT Predicting DNAPL Source Zone and Plume Response Using Site-Measured Characteristics SERDP Project ER-1613 MAY 2017...hour per response, including the time for reviewing instructions, searching existing data sources , gathering and maintaining the data needed, and...Final Report 3. DATES COVERED (From - To) 2007 - 2017 4. TITLE AND SUBTITLE PREDICTING DNAPL SOURCE ZONE AND PLUME RESPONSE USING SITE-MEASURED

  4. 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

  5. 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.

  6. 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

  7. 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.

  8. Genome-wide prediction, display and refinement of binding sites with information theory-based models

    Directory of Open Access Journals (Sweden)

    Leeder J Steven

    2003-09-01

    Full Text Available Abstract Background We present Delila-genome, a software system for identification, visualization and analysis of protein binding sites in complete genome sequences. Binding sites are predicted by scanning genomic sequences with information theory-based (or user-defined weight matrices. Matrices are refined by adding experimentally-defined binding sites to published binding sites. Delila-Genome was used to examine the accuracy of individual information contents of binding sites detected with refined matrices as a measure of the strengths of the corresponding protein-nucleic acid interactions. The software can then be used to predict novel sites by rescanning the genome with the refined matrices. Results Parameters for genome scans are entered using a Java-based GUI interface and backend scripts in Perl. Multi-processor CPU load-sharing minimized the average response time for scans of different chromosomes. Scans of human genome assemblies required 4–6 hours for transcription factor binding sites and 10–19 hours for splice sites, respectively, on 24- and 3-node Mosix and Beowulf clusters. Individual binding sites are displayed either as high-resolution sequence walkers or in low-resolution custom tracks in the UCSC genome browser. For large datasets, we applied a data reduction strategy that limited displays of binding sites exceeding a threshold information content to specific chromosomal regions within or adjacent to genes. An HTML document is produced listing binding sites ranked by binding site strength or chromosomal location hyperlinked to the UCSC custom track, other annotation databases and binding site sequences. Post-genome scan tools parse binding site annotations of selected chromosome intervals and compare the results of genome scans using different weight matrices. Comparisons of multiple genome scans can display binding sites that are unique to each scan and identify sites with significantly altered binding strengths

  9. 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.

  10. 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.

  11. 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/.

  12. 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...

  13. FunFOLDQA: a quality assessment tool for protein-ligand binding site residue predictions.

    Directory of Open Access Journals (Sweden)

    Daniel B Roche

    Full Text Available The estimation of prediction quality is important because without quality measures, it is difficult to determine the usefulness of a prediction. Currently, methods for ligand binding site residue predictions are assessed in the function prediction category of the biennial Critical Assessment of Techniques for Protein Structure Prediction (CASP experiment, utilizing the Matthews Correlation Coefficient (MCC and Binding-site Distance Test (BDT metrics. However, the assessment of ligand binding site predictions using such metrics requires the availability of solved structures with bound ligands. Thus, we have developed a ligand binding site quality assessment tool, FunFOLDQA, which utilizes protein feature analysis to predict ligand binding site quality prior to the experimental solution of the protein structures and their ligand interactions. The FunFOLDQA feature scores were combined using: simple linear combinations, multiple linear regression and a neural network. The neural network produced significantly better results for correlations to both the MCC and BDT scores, according to Kendall's τ, Spearman's ρ and Pearson's r correlation coefficients, when tested on both the CASP8 and CASP9 datasets. The neural network also produced the largest Area Under the Curve score (AUC when Receiver Operator Characteristic (ROC analysis was undertaken for the CASP8 dataset. Furthermore, the FunFOLDQA algorithm incorporating the neural network, is shown to add value to FunFOLD, when both methods are employed in combination. This results in a statistically significant improvement over all of the best server methods, the FunFOLD method (6.43%, and one of the top manual groups (FN293 tested on the CASP8 dataset. The FunFOLDQA method was also found to be competitive with the top server methods when tested on the CASP9 dataset. To the best of our knowledge, FunFOLDQA is the first attempt to develop a method that can be used to assess ligand binding site

  14. 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.

  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. Cavity Optomechanics

    OpenAIRE

    Kippenberg, T. J.; Vahala, K. J.

    2007-01-01

    The coupling of mechanical and optical degrees of freedom via radiation pressure has been a subject of early research in the context of gravitational wave detection. Recent experimental advances have allowed studying for the first time the modifications of mechanical dynamics provided by radiation pressure. This paper reviews the consequences of back-action of light confined in whispering-gallery dielectric micro-cavities, and presents a unified treatment of its two manifestations: notably th...

  17. 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.

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

    Science.gov (United States)

    Liborio, Leandro; Sturniolo, Simone; Jochym, Dominik

    2018-04-07

    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 Mu T and Mu BC 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.

  19. A gravimetric 3D global inversion for cavity detection

    Energy Technology Data Exchange (ETDEWEB)

    Camacho, A.G.; Vieira, R.; Montesinos, F.G. (Inst. de Astronomia y Geodesia, Madrid (Spain). Faculty de CC. Matematicas); Cuellar, V. (Lab. de Geotecnia del Centro de Estudios y Experimentacion de Obras Publicas, Madrid (Spain))

    1994-02-01

    A gravimetric survey, covering a site 200 m square, was carried out in order to locate karstic cavities. After eliminating the regional trend using a polynomial fit, the residual is modeled by least-squares prediction. Correlated signals for several wavelengths are detected. The inversion of these anomalies is performed by a global 3D adjustment using spherical bodies as models. The adjustment is repeated in order to obtain a stable configuration. The results show the probable presence of a system of cavities and galleries. Data collected from boreholes and the subsequent appearance of sink-holes are consistent with the results.

  20. 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.

  1. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Geier, J.E. [Golder Associates AB, Uppsala (Sweden)

    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.

  3. 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

  4. 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

  5. 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

  6. 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 .

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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".

  12. 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

  13. 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.

  14. 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.

  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. MicroRNAs MiR-218, MiR-125b, and Let-7g predict prognosis in patients with oral cavity squamous cell carcinoma.

    Directory of Open Access Journals (Sweden)

    Shih-Chi Peng

    Full Text Available MicroRNAs (miRNAs have a major impact on regulatory networks in human carcinogenesis. In this study, we sought to investigate the prognostic significance of miRNAs in patients with oral cavity squamous cell carcinoma (OSCC. In a discovery phase, RNA was extracted from 58 OSCC tumor samples and paired normal tissues. MiRNAs expression was evaluated with TaqMan Array Card and TaqMan MicroRNA assays. The prognostic significance of the miRNA signature identified in the discovery phase was validated by qRT-PCR in a replication set consisting of 141 formalin-fixed, paraffin-embedded (FFPE samples. We identified a miRNA regulatory network centered on the three hub genes (SP1, MYC, and TP53 that predicted distinct clinical endpoints. Three miRNAs (miR-218, miR-125b, and let-7g and their downstream response genes had a concordant prognostic significance on disease-free survival and disease-specific survival rates. In addition, patients with a reduced expression of miR-218, miR-125b, and let-7g have a higher risk of poor outcomes in presence of specific risk factors (p-stage III-IV, pT3-4, or pN+. Our findings indicate that specific miRNAs have prognostic significance in OSCC patients and may improve prognostic stratification over traditional risk factors.

  17. 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

    O-GalNAc-glycosylation is one of the main types of glycosylation in mammalian cells. No consensus recognition sequence for the O-glycosyltransferases is known, making prediction methods necessary to bridge the gap between the large number of known protein sequences and the small number of proteins...... experimentally investigated with regard to glycosylation status. From O-GLYCBASE a total of 86 mammalian proteins experimentally investigated for in vivo O-GalNAc sites were extracted. Mammalian protein homolog comparisons showed that a glycosylated serine or threonine is less likely to be precisely conserved...... than a nonglycosylated one. The Protein Data Bank was analyzed for structural information, and 12 glycosylated structures were obtained. All positive sites were found in coil or turn regions. A method for predicting the location for mucin-type glycosylation sites was trained using a neural network...

  18. PREDICTION OF SITE RESPONSE SPECTRUM UNDER EARTHQUAKE VIBRATION USING AN OPTIMIZED DEVELOPED ARTIFICIAL NEURAL NETWORK MODEL

    Directory of Open Access Journals (Sweden)

    Reza Esmaeilabadi

    2016-06-01

    Full Text Available Site response spectrum is one of the key factors to determine the maximum acceleration and displacement, as well as structure behavior analysis during earthquake vibrations. The main objective of this paper is to develop an optimized model based on artificial neural network (ANN using five different training algorithms to predict nonlinear site response spectrum subjected to Silakhor earthquake vibrations is. The model output was tested for a specified area in west of Iran. The performance and quality of optimized model under all training algorithms have been examined by various statistical, analytical and graph analyses criteria as well as a comparison with numerical methods. The observed adaptabilities in results indicate a feasible and satisfactory engineering alternative method for predicting the analysis of nonlinear site response.

  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. Prediction of protein-protein binding site by using core interface residue and support vector machine

    Directory of Open Access Journals (Sweden)

    Sun Zhonghua

    2008-12-01

    Full Text Available Abstract Background The prediction of protein-protein binding site can provide structural annotation to the protein interaction data from proteomics studies. This is very important for the biological application of the protein interaction data that is increasing rapidly. Moreover, methods for predicting protein interaction sites can also provide crucial information for improving the speed and accuracy of protein docking methods. Results In this work, we describe a binding site prediction method by designing a new residue neighbour profile and by selecting only the core-interface residues for SVM training. The residue neighbour profile includes both the sequential and the spatial neighbour residues of an interface residue, which is a more complete description of the physical and chemical characteristics surrounding the interface residue. The concept of core interface is applied in selecting the interface residues for training the SVM models, which is shown to result in better discrimination between the core interface and other residues. The best SVM model trained was tested on a test set of 50 randomly selected proteins. The sensitivity, specificity, and MCC for the prediction of the core interface residues were 60.6%, 53.4%, and 0.243, respectively. Our prediction results on this test set were compared with other three binding site prediction methods and found to perform better. Furthermore, our method was tested on the 101 unbound proteins from the protein-protein interaction benchmark v2.0. The sensitivity, specificity, and MCC of this test were 57.5%, 32.5%, and 0.168, respectively. Conclusion By improving both the descriptions of the interface residues and their surrounding environment and the training strategy, better SVM models were obtained and shown to outperform previous methods. Our tests on the unbound protein structures suggest further improvement is possible.

  1. Are seed and dispersal characteristics of plants capable of predicting colonization of post-mining sites?

    Science.gov (United States)

    Horáčková, Martina; Řehounková, Klára; Prach, Karel

    2016-07-01

    Seed characteristics play an important role in the colonization and subsequent persistence of species during succession in disturbed sites and thus may contribute to being able to predict restoration success. In the present study, we investigated how various seed characteristics participated in 11 spontaneous successional series running in different mining sites (spoil heaps, extracted sand and sand-gravel pits, extracted peatlands, and stone quarries) in the Czech Republic, Central Europe. Using 1864 samples from 1- to 100-years-old successional stages, we tested whether species optimum along the succession gradient could be predicted using 10 basic species traits connected with diaspores and dispersal. Seed longevity, diaspore mass, endozoochory, and autochory appeared to be the best predictors. The results indicate that seed characteristics can predict to a certain degree spontaneous vegetation succession, i.e., passive restoration, in the mining sites. A screening of species available in the given landscape (regional and local species pools) may help to identify those species which would potentially colonize the disturbed sites. Extensive databases of species traits, nowadays available for the Central European flora, enable such screening.

  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. 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....... In this paper, we employ artificial neural networks to predict which AUG triplet in an mRNA sequence is the start codon. The trained networks correctly classified 88% of Arabidopsis and 85% of vertebrate AUG triplets. We find that our trained neural networks use a combination of local start codon context...... and global sequence information. Furthermore, analysis of false predictions shows that AUGs in frame with the actual start codon are more frequently selected than out-of-frame AUGs, suggesting that our nteworks use reading frame detection. A number of conflicts between neural network predictions and database...

  5. Spatial characterization and prediction of Neanderthal sites based on environmental information and stochastic modelling

    Science.gov (United States)

    Maerker, Michael; Bolus, Michael

    2014-05-01

    We present a unique spatial dataset of Neanderthal sites in Europe that was used to train a set of stochastic models to reveal the correlations between the site locations and environmental indices. In order to assess the relations between the Neanderthal sites and environmental variables as described above we applied a boosted regression tree approach (TREENET) a statistical mechanics approach (MAXENT) and support vector machines. The stochastic models employ a learning algorithm to identify a model that best fits the relationship between the attribute set (predictor variables (environmental variables) and the classified response variable which is in this case the types of Neanderthal sites. A quantitative evaluation of model performance was done by determining the suitability of the model for the geo-archaeological applications and by helping to identify those aspects of the methodology that need improvements. The models' predictive performances were assessed by constructing the Receiver Operating Characteristics (ROC) curves for each Neanderthal class, both for training and test data. In a ROC curve the Sensitivity is plotted over the False Positive Rate (1-Specificity) for all possible cut-off points. The quality of a ROC curve is quantified by the measure of the parameter area under the ROC curve. The dependent variable or target variable in this study are the locations of Neanderthal sites described by latitude and longitude. The information on the site location was collected from literature and own research. All sites were checked for site accuracy using high resolution maps and google earth. The study illustrates that the models show a distinct ranking in model performance with TREENET outperforming the other approaches. Moreover Pre-Neanderthals, Early Neanderthals and Classic Neanderthals show a specific spatial distribution. However, all models show a wide correspondence in the selection of the most important predictor variables generally showing less

  6. Residue propensities, discrimination and binding site prediction of adenine and guanine phosphates

    Directory of Open Access Journals (Sweden)

    Ahmad Zulfiqar

    2011-05-01

    Full Text Available Abstract Background Adenine and guanine phosphates are involved in a number of biological processes such as cell signaling, metabolism and enzymatic cofactor functions. Binding sites in proteins for these ligands are often detected by looking for a previously known motif by alignment based search. This is likely to miss those where a similar binding site has not been previously characterized and when the binding sites do not follow the rule described by predefined motif. Also, it is intriguing how proteins select between adenine and guanine derivative with high specificity. Results Residue preferences for AMP, GMP, ADP, GDP, ATP and GTP have been investigated in details with additional comparison with cyclic variants cAMP and cGMP. We also attempt to predict residues interacting with these nucleotides using information derived from local sequence and evolutionary profiles. Results indicate that subtle differences exist between single residue preferences for specific nucleotides and taking neighbor environment and evolutionary context into account, successful models of their binding site prediction can be developed. Conclusion In this work, we explore how single amino acid propensities for these nucleotides play a role in the affinity and specificity of this set of nucleotides. This is expected to be helpful in identifying novel binding sites for adenine and guanine phosphates, especially when a known binding motif is not detectable.

  7. A Python analytical pipeline to identify prohormone precursors and predict prohormone cleavage sites

    Directory of Open Access Journals (Sweden)

    Bruce Southey

    2008-12-01

    Full Text Available Neuropeptides and hormones are signaling molecules that support cell-cell communication in the central nervous system. Experimentally characterizing neuropeptides requires significant efforts because of the complex and variable processing of prohormone precursor proteins into neuropeptides and hormones. We demonstrate the power and flexibility of the Python language to develop components of an bioinformatic analytical pipeline to identify precursors from genomic data and to predict cleavage as these precursors are en route to the final bioactive peptides. We identified 75 precursors in the rhesus genome, predicted cleavage sites using support vector machines and compared the rhesus predictions to putative assignments based on homology to human sequences. The correct classification rate of cleavage using the support vector machines was over 97% for both human and rhesus data sets. The functionality of Python has been important to develop and maintain NeuroPred (http://neuroproteomics.scs.uiuc.edu/neuropred.html, a user-centered web application for the neuroscience community that provides cleavage site prediction from a wide range of models, precision and accuracy statistics, post-translational modifications, and the molecular mass of potential peptides. The combined results illustrate the suitability of the Python language to implement an all-inclusive bioinformatics approach to predict neuropeptides that encompasses a large number of interdependent steps, from scanning genomes for precursor genes to identification of potential bioactive neuropeptides.

  8. A python analytical pipeline to identify prohormone precursors and predict prohormone cleavage sites.

    Science.gov (United States)

    Southey, Bruce R; Sweedler, Jonathan V; Rodriguez-Zas, Sandra L

    2008-01-01

    Neuropeptides and hormones are signaling molecules that support cell-cell communication in the central nervous system. Experimentally characterizing neuropeptides requires significant efforts because of the complex and variable processing of prohormone precursor proteins into neuropeptides and hormones. We demonstrate the power and flexibility of the Python language to develop components of an bioinformatic analytical pipeline to identify precursors from genomic data and to predict cleavage as these precursors are en route to the final bioactive peptides. We identified 75 precursors in the rhesus genome, predicted cleavage sites using support vector machines and compared the rhesus predictions to putative assignments based on homology to human sequences. The correct classification rate of cleavage using the support vector machines was over 97% for both human and rhesus data sets. The functionality of Python has been important to develop and maintain NeuroPred (http://neuroproteomics.scs.uiuc.edu/neuropred.html), a user-centered web application for the neuroscience community that provides cleavage site prediction from a wide range of models, precision and accuracy statistics, post-translational modifications, and the molecular mass of potential peptides. The combined results illustrate the suitability of the Python language to implement an all-inclusive bioinformatics approach to predict neuropeptides that encompasses a large number of interdependent steps, from scanning genomes for precursor genes to identification of potential bioactive neuropeptides.

  9. PrAS: Prediction of amidation sites using multiple feature extraction.

    Science.gov (United States)

    Wang, Tong; Zheng, Wei; Wuyun, Qiqige; Wu, Zhenfeng; Ruan, Jishou; Hu, Gang; Gao, Jianzhao

    2017-02-01

    Amidation plays an important role in a variety of pathological processes and serious diseases like neural dysfunction and hypertension. However, identification of protein amidation sites through traditional experimental methods is time consuming and expensive. In this paper, we proposed a novel predictor for Prediction of Amidation Sites (PrAS), which is the first software package for academic users. The method incorporated four representative feature types, which are position-based features, physicochemical and biochemical properties features, predicted structure-based features and evolutionary information features. A novel feature selection method, positive contribution feature selection was proposed to optimize features. PrAS achieved AUC of 0.96, accuracy of 92.1%, sensitivity of 81.2%, specificity of 94.9% and MCC of 0.76 on the independent test set. PrAS is freely available at https://sourceforge.net/p/praspkg. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. Task Oriented Hydrogeological Site Characterization: A Framework and Case Study in Predicting Contaminant Arrival Time

    Science.gov (United States)

    Harken, B.; Schneidewind, U.; Kalbacher, T.; Rubin, Y.; Dietrich, P.

    2015-12-01

    Hydrogeological site characterization requirements vary with different modeling and risk assessment goals. For example, predicting contaminant transport requires characterization of the spatial structure and variability of hydraulic conductivity. In light of the costs associated with site characterization, a framework for task oriented field campaign design would be advantageous. The current work highlights a general framework for task oriented characterization design aimed at balancing cost with risk and uncertainty. Also presented is a case study focusing on predicting contaminant arrival time, which often depends on characterizing the spatial distribution of high-permeability zones. The case study highlights how the framework can enable the most efficient use of new characterization technologies which can improve modeling campaigns by providing measurements of hydraulic conductivity with high spatial resolution.

  11. Snoring Sounds Predict Obstruction Sites and Surgical Response in Patients with Obstructive Sleep Apnea Hypopnea Syndrome.

    Science.gov (United States)

    Lee, Li-Ang; Lo, Yu-Lun; Yu, Jen-Fang; Lee, Gui-She; Ni, Yung-Lun; Chen, Ning-Hung; Fang, Tuan-Jen; Huang, Chung-Guei; Cheng, Wen-Nuan; Li, Hsueh-Yu

    2016-07-29

    Snoring sounds generated by different vibrators of the upper airway may be useful indicators of obstruction sites in patients with obstructive sleep apnea hypopnea syndrome (OSAHS). This study aimed to investigate associations between snoring sounds, obstruction sites, and surgical responses (≥50% reduction in the apnea-hypopnea index [AHI] and snoring sound recordings during in-lab full-night polysomnography, drug-induced sleep endoscopy (DISE), and relocation pharyngoplasty. All patients received follow-up polysomnography after 6 months. Fifteen (42%) patients with at least two complete obstruction sites defined by DISE were significantly, positively associated with maximal snoring sound intensity (40-300 Hz; odds ratio [OR], 1.25, 95% confidence interval [CI] 1.05-1.49) and body mass index (OR, 1.48, 95% CI 1.02-2.15) after logistic regression analysis. Tonsil obstruction was significantly, inversely correlated with mean snoring sound intensity (301-850 Hz; OR, 0.84, 95% CI 0.74-0.96). Moreover, baseline tonsil obstruction detected by either DISE or mean snoring sound intensity (301-850 Hz), and AHI could significantly predict the surgical response. Our findings suggest that snoring sound detection may be helpful in determining obstruction sites and predict surgical responses.

  12. 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/.

  13. 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.

  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. [In-site total N content prediction of soil with Vis/NIR spectroscopy].

    Science.gov (United States)

    Wang, Shan-Qin; Shu, Ning; Zhang, Hai-Tao

    2008-04-01

    The Vis/NIR spectroscopy as an efficient tool to predict within-filed soil properties is significantly valuable when establishing agricultural field trials and in precision farming. The object of the study was to investigate the feasibility and possibility of using transformed in-site spectra by relative transformation method (RTM) to prediction soil properties. One hundred and three samples of paddy and fluvo-aquic soil in central china were collected. The in-site moisture (R(w)) and dried (R(d)) Vis/NIR spectra were measured by ASD field handHeld analyzer. The spectral characteristics of two kind soils were analyzed comparatively. The Rw spectra were transformed by RTM into R(n), which were of similar information content and charatistics with R(d). The first derivatives of three spectra revealed that the method could reduce the water disturb on and noise in R(w) Vis/NIR spectrum. The PLS regession model was applied to predict total nitrogen (TN) respectively using R(w), R(d) and R(n) as predictor. The models with Rw predicted TN respectively of paddy, fluvo-aquic and all samples with poor adjusted r2 (Vis/NIR spectrum measured on the spot. The combination of PLS and RTM could help implemention of real-time analyzing soil properties using Vis/NIR spectrum.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  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. Rapid and Accurate Prediction and Scoring of Water Molecules in Protein Binding Sites

    Science.gov (United States)

    Ross, Gregory A.; Morris, Garrett M.; Biggin, Philip C.

    2012-01-01

    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. PMID:22396746

  3. The Prediction of Calpain Cleavage Sites with the mRMR and IFS Approaches

    Directory of Open Access Journals (Sweden)

    Wenyi Zhang

    2013-01-01

    Full Text Available Calpains are an important family of the Ca2+-dependent cysteine proteases which catalyze the limited proteolysis of many specific substrates. Calpains play crucial roles in basic physiological and pathological processes, and identification of the calpain cleavage sites may facilitate the understanding of the molecular mechanisms and biological function. But traditional experiment approaches to predict the sites are accurate, and are always labor-intensive and time-consuming. Thus, it is common to see that computational methods receive increasing attention due to their convenience and fast speed in recent years. In this study, we develop a new predictor based on the support vector machine (SVM with the maximum relevance minimum redundancy (mRMR method followed by incremental feature selection (IFS. And we concern the feature of physicochemical/biochemical properties, sequence conservation, residual disorder, secondary structure, and solvent accessibility to represent the calpain cleavage sites. Experimental results show that the performance of our predictor is better than several other state-of- the-art predictors, whose average prediction accuracy is 79.49%, sensitivity is 62.31%, and specificity is 88.12%. Since user-friendly and publicly accessible web servers represent the future direction for developing practically more useful predictors, here we have provided a web-server for the method presented in this paper.

  4. Impediments to predicting site response: Seismic property estimation and modeling simplifications

    Science.gov (United States)

    Thompson, E.M.; Baise, L.G.; Kayen, R.E.; Guzina, B.B.

    2009-01-01

    We compare estimates of the empirical transfer function (ETF) to the plane SH-wave theoretical transfer function (TTF) within a laterally constant medium for invasive and noninvasive estimates of the seismic shear-wave slownesses at 13 Kiban-Kyoshin network stations throughout Japan. The difference between the ETF and either of the TTFs is substantially larger than the difference between the two TTFs computed from different estimates of the seismic properties. We show that the plane SH-wave TTF through a laterally homogeneous medium at vertical incidence inadequately models observed amplifications at most sites for both slowness estimates, obtained via downhole measurements and the spectral analysis of surface waves. Strategies to improve the predictions can be separated into two broad categories: improving the measurement of soil properties and improving the theory that maps the 1D soil profile onto spectral amplification. Using an example site where the 1D plane SH-wave formulation poorly predicts the ETF, we find a more satisfactory fit to the ETF by modeling the full wavefield and incorporating spatially correlated variability of the seismic properties. We conclude that our ability to model the observed site response transfer function is limited largely by the assumptions of the theoretical formulation rather than the uncertainty of the soil property estimates.

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

    Directory of Open Access Journals (Sweden)

    Collado-Vides Julio

    2008-10-01

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

  6. 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.

  7. 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.

  8. 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

  9. 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

  10. How accurate and statistically robust are catalytic site predictions based on closeness centrality?

    Directory of Open Access Journals (Sweden)

    Livesay Dennis R

    2007-05-01

    Full Text Available Abstract Background We examine the accuracy of enzyme catalytic residue predictions from a network representation of protein structure. In this model, amino acid α-carbons specify vertices within a graph and edges connect vertices that are proximal in structure. Closeness centrality, which has shown promise in previous investigations, is used to identify important positions within the network. Closeness centrality, a global measure of network centrality, is calculated as the reciprocal of the average distance between vertex i and all other vertices. Results We benchmark the approach against 283 structurally unique proteins within the Catalytic Site Atlas. Our results, which are inline with previous investigations of smaller datasets, indicate closeness centrality predictions are statistically significant. However, unlike previous approaches, we specifically focus on residues with the very best scores. Over the top five closeness centrality scores, we observe an average true to false positive rate ratio of 6.8 to 1. As demonstrated previously, adding a solvent accessibility filter significantly improves predictive power; the average ratio is increased to 15.3 to 1. We also demonstrate (for the first time that filtering the predictions by residue identity improves the results even more than accessibility filtering. Here, we simply eliminate residues with physiochemical properties unlikely to be compatible with catalytic requirements from consideration. Residue identity filtering improves the average true to false positive rate ratio to 26.3 to 1. Combining the two filters together has little affect on the results. Calculated p-values for the three prediction schemes range from 2.7E-9 to less than 8.8E-134. Finally, the sensitivity of the predictions to structure choice and slight perturbations is examined. Conclusion Our results resolutely confirm that closeness centrality is a viable prediction scheme whose predictions are statistically

  11. 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.

  12. 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.

  13. 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

  14. 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?

    NARCIS (Netherlands)

    Doornaert, P; Slotman, BJ; Leemans, CR; Langendijk, JA

    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

  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. 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.

  17. The effects of reading comprehension and launch site on frequency-predictability interactions during paragraph reading.

    Science.gov (United States)

    Whitford, Veronica; Titone, Debra

    2014-01-01

    We used eye movement measures of paragraph reading to examine whether word frequency and predictability interact during the earliest stages of lexical processing, with a specific focus on whether these effects are modulated by individual differences in reading comprehension or launch site (i.e., saccade length between the prior and currently fixated word--a proxy for the amount of parafoveal word processing). The joint impact of frequency and predictability on reading will elucidate whether these variables additively or multiplicatively affect the earliest stages of lexical access, which, in turn, has implications for computational models of eye movements during reading. Linear mixed effects models revealed additive effects during both early- and late-stage reading, where predictability effects were comparable for low- and high-frequency words. Moreover, less cautious readers (e.g., readers who engaged in skimming, scanning, mindless reading) demonstrated smaller frequency effects than more cautious readers. Taken together, our findings suggest that during extended reading, frequency and predictability exert additive influences on lexical and postlexical processing, and that individual differences in reading comprehension modulate sensitivity to the effects of word frequency.

  18. 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

  19. 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.

  20. Evaluation of different approaches for identifying optimal sites to predict mean hillslope soil moisture content

    Science.gov (United States)

    Liao, Kaihua; Zhou, Zhiwen; Lai, Xiaoming; Zhu, Qing; Feng, Huihui

    2017-04-01

    The identification of representative soil moisture sampling sites is important for the validation of remotely sensed mean soil moisture in a certain area and ground-based soil moisture measurements in catchment or hillslope hydrological studies. Numerous approaches have been developed to identify optimal sites for predicting mean soil moisture. Each method has certain advantages and disadvantages, but they have rarely been evaluated and compared. In our study, surface (0-20 cm) soil moisture data from January 2013 to March 2016 (a total of 43 sampling days) were collected at 77 sampling sites on a mixed land-use (tea and bamboo) hillslope in the hilly area of Taihu Lake Basin, China. A total of 10 methods (temporal stability (TS) analyses based on 2 indices, K-means clustering based on 6 kinds of inputs and 2 random sampling strategies) were evaluated for determining optimal sampling sites for mean soil moisture estimation. They were TS analyses based on the smallest index of temporal stability (ITS, a combination of the mean relative difference and standard deviation of relative difference (SDRD)) and based on the smallest SDRD, K-means clustering based on soil properties and terrain indices (EFs), repeated soil moisture measurements (Theta), EFs plus one-time soil moisture data (EFsTheta), and the principal components derived from EFs (EFs-PCA), Theta (Theta-PCA), and EFsTheta (EFsTheta-PCA), and global and stratified random sampling strategies. Results showed that the TS based on the smallest ITS was better (RMSE = 0.023 m3 m-3) than that based on the smallest SDRD (RMSE = 0.034 m3 m-3). The K-means clustering based on EFsTheta (-PCA) was better (RMSE land use was more efficient than the global random method. Forty and 60 sampling sites are needed for stratified sampling and global sampling respectively to make their performances comparable to the best K-means method (EFsTheta-PCA). Overall, TS required only one site, but its accuracy was limited. The best K

  1. Prediction of O-glycosylation Sites Using Random Forest and GA-Tuned PSO Technique.

    Science.gov (United States)

    Hassan, Hebatallah; Badr, Amr; Abdelhalim, M B

    2015-01-01

    O-glycosylation is one of the main types of the mammalian protein glycosylation; it occurs on the particular site of serine (S) or threonine (T). Several O-glycosylation site predictors have been developed. However, a need to get even better prediction tools remains. One challenge in training the classifiers is that the available datasets are highly imbalanced, which makes the classification accuracy for the minority class to become unsatisfactory. In our previous work, we have proposed a new classification approach, which is based on particle swarm optimization (PSO) and random forest (RF); this approach has considered the imbalanced dataset problem. The PSO parameters setting in the training process impacts the classification accuracy. Thus, in this paper, we perform parameters optimization for the PSO algorithm, based on genetic algorithm, in order to increase the classification accuracy. Our proposed genetic algorithm-based approach has shown better performance in terms of area under the receiver operating characteristic curve against existing predictors. In addition, we implemented a glycosylation predictor tool based on that approach, and we demonstrated that this tool could successfully identify candidate glycosylation sites in case study protein.

  2. 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.

  3. 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.

  4. Feature Selection Combined with Neural Network Structure Optimization for HIV-1 Protease Cleavage Site Prediction

    Directory of Open Access Journals (Sweden)

    Hui Liu

    2015-01-01

    Full Text Available It is crucial to understand the specificity of HIV-1 protease for designing HIV-1 protease inhibitors. In this paper, a new feature selection method combined with neural network structure optimization is proposed to analyze the specificity of HIV-1 protease and find the important positions in an octapeptide that determined its cleavability. Two kinds of newly proposed features based on Amino Acid Index database plus traditional orthogonal encoding features are used in this paper, taking both physiochemical and sequence information into consideration. Results of feature selection prove that p2, p1, p1′, and p2′ are the most important positions. Two feature fusion methods are used in this paper: combination fusion and decision fusion aiming to get comprehensive feature representation and improve prediction performance. Decision fusion of subsets that getting after feature selection obtains excellent prediction performance, which proves feature selection combined with decision fusion is an effective and useful method for the task of HIV-1 protease cleavage site prediction. The results and analysis in this paper can provide useful instruction and help designing HIV-1 protease inhibitor in the future.

  5. Conserved functional motifs and homology modelling to predict hidden moonlighting functional sites

    Directory of Open Access Journals (Sweden)

    Helen R Irving

    2015-06-01

    Full Text Available 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.

  6. Predicting and mapping potential Whooping Crane stopover habitat to guide site selection for wind energy projects.

    Science.gov (United States)

    Belaire, J Amy; Kreakie, Betty J; Keitt, Timothy; Minor, Emily

    2014-04-01

    Migratory stopover habitats are often not part of planning for conservation or new development projects. We identified potential stopover habitats within an avian migratory flyway and demonstrated how this information can guide the site-selection process for new development. We used the random forests modeling approach to map the distribution of predicted stopover habitat for the Whooping Crane (Grus americana), an endangered species whose migratory flyway overlaps with an area where wind energy development is expected to become increasingly important. We then used this information to identify areas for potential wind power development in a U.S. state within the flyway (Nebraska) that minimize conflicts between Whooping Crane stopover habitat and the development of clean, renewable energy sources. Up to 54% of our study area was predicted to be unsuitable as Whooping Crane stopover habitat and could be considered relatively low risk for conflicts between Whooping Cranes and wind energy development. We suggest that this type of analysis be incorporated into the habitat conservation planning process in areas where incidental take permits are being considered for Whooping Cranes or other species of concern. Field surveys should always be conducted prior to construction to verify model predictions and understand baseline conditions. © 2013 Society for Conservation Biology.

  7. A Model for Predicting Late Prehistoric Architectural Sites at the Pinon Canyon Maneuver Site in Southeastern Colorado

    Science.gov (United States)

    2007-01-01

    Archaic. This suggests that vegetal materials, possibly including maize, and other cultigens probably constituted larger portions of the human diet ...placement of rock art has been demonstrated in Upper Paleolithic sites of Europe, as well as in North America (Waller 1993). Open-air sites near canyons

  8. 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.

  9. Advanced acoustic cavity technology. [for hydrogen oxygen rocket engines

    Science.gov (United States)

    Hines, W. S.; Oberg, C. L.; Kusak, L.

    1974-01-01

    A series of rocket motor firings was performed in a modified linear aerospike thrust chamber with the H2/O2 propellant combination to allow determination of the physical properties of the combustion gases in acoustic cavities located in the chamber side walls. A preliminary analytical study was first conducted to define theoretically both the appropriate cavity dimensions and the combustion gas flow field adjacent to the cavity openings. During the subsequent motor firings, cavity gas temperature profiles were measured and gas samples were withdrawn from the bottom of the cavities for compositional analysis by measurement of pressure/temperature variation and gas chromatography. Data were obtained with both radially and axially oriented cavities and with and without hydrogen bleed flow through the cavities. A simplified procedure was developed for predicting gas cavity and acoustic velocity for use in acoustic cavity design analyses.

  10. 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

  11. 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

  12. Meteorological predictions for Mars 2020 Exploration Rover high-priority landing sites throug MRAMS Mesoscale Modeling

    Science.gov (United States)

    Pla-García, Jorge; Rafkin, Scot C. R.

    2015-04-01

    The Mars Regional Atmospheric Modeling System (MRAMS) is used to predict meteorological conditions that are likely to be encountered by the Mars 2020 Exploration Rover at several proposed landing sites during entry, descent, and landing (EDL). The meteorology during the EDL window at most of the sites is dynamic. The intense heating of the lower atmosphere drives intense thermals and mesoscale thermal circulations. Moderate mean winds, wind shear, turbulence, and vertical air currents associated with convection are present and potentially hazardous to EDL [1]. Nine areas with specific high-priority landing ellipses of the 2020 Rover, are investigated: NE Syrtis, Nili Fossae, Nili Fossae Carbonates, Jezero Crater Delta, Holden Crater, McLaughlin Crater, Southwest Melas Basin, Mawrth Vallis and East Margaritifer Chloride. MRAMS was applied to the landing site regions using nested grids with a spacing of 330 meters on the innermost grid that is centered over each landing site. MRAMS is ideally suited for this investigation; the model is explicitly designed to simulate Mars' atmospheric thermal circulations at the mesoscale and smaller with realistic, high-resolution surface properties [2, 3]. Horizontal wind speeds, both vertical profiles and vertical cross-sections wind speeds, are studied. For some landing sites simulations, two example configurations -including and not including Hellas basin in the mother domain- were generated, in order to study how the basin affects the innermost grids circulations. Afternoon circulations at all sites pose some risk entry, descent, and landing. Most of the atmospheric hazards are not evident in current observational data and general circulation model simulations and can only be ascertained through mesoscale modeling of the region. Decide where to go first and then design a system that can tolerate the environment would greatly minimize risk. References: [1] Rafkin, S. C. R., and T. I. Michaels (2003), J. Geophys. Res., 108(E12

  13. 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.

  14. Prediction of Carbohydrate Binding Sites on Protein Surfaces with 3-Dimensional Probability Density Distributions of Interacting Atoms

    Science.gov (United States)

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

    2012-01-01

    Non-covalent protein-carbohydrate interactions mediate molecular targeting in many biological processes. Prediction of non-covalent carbohydrate binding sites on protein surfaces not only provides insights into the functions of the query proteins; information on key carbohydrate-binding residues could suggest site-directed mutagenesis experiments, design therapeutics targeting carbohydrate-binding proteins, and provide guidance in engineering protein-carbohydrate interactions. In this work, we show that non-covalent carbohydrate binding sites on protein surfaces can be predicted with relatively high accuracy when the query protein structures are known. The prediction capabilities were based on a novel encoding scheme of the three-dimensional probability density maps describing the distributions of 36 non-covalent interacting atom types around protein surfaces. One machine learning model was trained for each of the 30 protein atom types. The machine learning algorithms predicted tentative carbohydrate binding sites on query proteins by recognizing the characteristic interacting atom distribution patterns specific for carbohydrate binding sites from known protein structures. The prediction results for all protein atom types were integrated into surface patches as tentative carbohydrate binding sites based on normalized prediction confidence level. The prediction capabilities of the predictors were benchmarked by a 10-fold cross validation on 497 non-redundant proteins with known carbohydrate binding sites. The predictors were further tested on an independent test set with 108 proteins. The residue-based Matthews correlation coefficient (MCC) for the independent test was 0.45, with prediction precision and sensitivity (or recall) of 0.45 and 0.49 respectively. In addition, 111 unbound carbohydrate-binding protein structures for which the structures were determined in the absence of the carbohydrate ligands were predicted with the trained predictors. The overall

  15. 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.

  16. Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model.

    Science.gov (United States)

    Rohr, Carsten; Balbás Gambra, Marta; Gruber, Kathrin; Höhl, Cornelia; Malarek, Michael S; Scherer, Lukas J; Constable, Edwin C; Franosch, Thomas; Hermann, Bianca A

    2011-02-14

    An interaction-site model can a priori predict molecular self-organisation on a new substrate in Monte Carlo simulations. This is experimentally confirmed with scanning tunnelling microscopy on Fréchet dendrons of a pentacontane template. Local and global ordering motifs, inclusion molecules and a rotated unit cell are correctly predicted.

  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. Key role of water in proton transfer at the Q(o)-site of the cytochrome bc(1) complex predicted by atomistic molecular dynamics simulations

    DEFF Research Database (Denmark)

    Postila, P. A.; Kaszuba, K.; Sarewicz, M.

    2013-01-01

    Cytochrome (cyt) bc(1) complex, which is an integral part of the respiratory chain and related energy-conserving systems, has two quinone-binding cavities (Q(o)- and Q(i)-sites), where the substrate participates in electron and proton transfer. Due to its complexity, many of the mechanistic detai...

  20. Correlation between predicted and observed levels of airborne tritium at Lawrence Livermore Laboratory site boundary

    International Nuclear Information System (INIS)

    Lindeken, C.L.; Silver, W.J.; Toy, A.J.; White, J.H.

    1980-01-01

    At the Lawrence Livermore Laboratory, a computer code based on the Gaussian plume model is used to estimate radiation doses from routine or accidental release of airborne radioactive material. Routine releases of tritium have been used as a test of the overall uncertainty associated with these estimates. The ration of concentration to release rate at distances from the two principal release points to each of six site boundary sampling locations has been calcuated using local meteorological data. The concentration of airborne tritiated water vapor is continuously measured at the six sampling stations as part of the Laboratory's environmental monitoring program. Comparison of predicted with observed annual tritiated water concentrations in 1978 showed an average ratio of 2.6 with a range of from 0.97 to 5.8

  1. 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.

  2. bSiteFinder, an improved protein-binding sites prediction server based on structural alignment: more accurate and less time-consuming.

    Science.gov (United States)

    Gao, Jun; Zhang, Qingchen; Liu, Min; Zhu, Lixin; Wu, Dingfeng; Cao, Zhiwei; Zhu, Ruixin

    2016-01-01

    Protein-binding sites prediction lays a foundation for functional annotation of protein and structure-based drug design. As the number of available protein structures increases, structural alignment based algorithm becomes the dominant approach for protein-binding sites prediction. However, the present algorithms underutilize the ever increasing numbers of three-dimensional protein-ligand complex structures (bound protein), and it could be improved on the process of alignment, selection of templates and clustering of template. Herein, we built so far the largest database of bound templates with stringent quality control. And on this basis, bSiteFinder as a protein-binding sites prediction server was developed. By introducing Homology Indexing, Chain Length Indexing, Stability of Complex and Optimized Multiple-Templates Clustering into our algorithm, the efficiency of our server has been significantly improved. Further, the accuracy was approximately 2-10 % higher than that of other algorithms for the test with either bound dataset or unbound dataset. For 210 bound dataset, bSiteFinder achieved high accuracies up to 94.8 % (MCC 0.95). For another 48 bound/unbound dataset, bSiteFinder achieved high accuracies up to 93.8 % for bound proteins (MCC 0.95) and 85.4 % for unbound proteins (MCC 0.72). Our bSiteFinder server is freely available at http://binfo.shmtu.edu.cn/bsitefinder/, and the source code is provided at the methods page. An online bSiteFinder server is freely available at http://binfo.shmtu.edu.cn/bsitefinder/. Our work lays a foundation for functional annotation of protein and structure-based drug design. With ever increasing numbers of three-dimensional protein-ligand complex structures, our server should be more accurate and less time-consuming.Graphical Abstract bSiteFinder (http://binfo.shmtu.edu.cn/bsitefinder/) as a protein-binding sites prediction server was developed based on the largest database of bound templates so far with stringent quality

  3. 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.

  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. 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.

  6. 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.

  7. Thermo-Electrical Mathematical Model for Prediction of Ni-Cr Hot-Wire Temperature in Free Air and Inside Small Circular Cavities

    DEFF Research Database (Denmark)

    Petkov, Kiril; Hattel, Jesper Henri

    2017-01-01

    A one-dimensional thermo-electrical mathematical model describing the heating and cooling of thin Ni-Cr20% wires is presented. The model is applied for wires in a free air environment and to wires placed in small circular cavities formed by expanded polystyrene material. The basis of the model...... to select an appropriate heat transfer coefficient for the time-dependent heating and cooling of a wire. The model is tested against experimental data and is found to be in a good agreement with previous investigations. Based on the findings, expressions for the heat transfer coefficient of a hot wire...

  8. Estimation of site-specific deposition velocities and mass interception factor using 7Be and the prediction of deposition pattern of radionuclides at Kaiga site (India)

    International Nuclear Information System (INIS)

    James, J. P.; Ravi, P. M.; Joshi, R. M.; Hegde, A. G.; Sarkar, P. K.

    2010-01-01

    Site-specific wet, dry deposition velocities and mass interception factors at Kaiga site, where three PHWR type power plants are operational, using 7 Be as a tracer are presented. Mean wet and dry deposition velocities for Kaiga site were found to be 7.4x10 -2 m s -1 and 3.0x10 -4 m s -1 , respectively. Mass interception factors for vegetation were found to be 0.7-5.6 m 2 kg -1 dry weight with a mean of 2.4 m 2 kg -1 dry weight. The site-specific data were used for the prediction of radionuclide distribution pattern in soil and vegetation in the case of a hypothetical air contamination. (authors)

  9. 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.

  10. 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

  11. 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

  12. 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....

  13. 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.

  14. 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.

  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. Prediction of mono- and di-nucleotide-specific DNA-binding sites in proteins using neural networks

    Directory of Open Access Journals (Sweden)

    Mizuguchi Kenji

    2009-05-01

    Full Text Available Abstract Background DNA recognition by proteins is one of the most important processes in living systems. Therefore, understanding the recognition process in general, and identifying mutual recognition sites in proteins and DNA in particular, carries great significance. The sequence and structural dependence of DNA-binding sites in proteins has led to the development of successful machine learning methods for their prediction. However, all existing machine learning methods predict DNA-binding sites, irrespective of their target sequence and hence, none of them is helpful in identifying specific protein-DNA contacts. In this work, we formulate the problem of predicting specific DNA-binding sites in terms of contacts between the residue environments of proteins and the identity of a mononucleotide or a dinucleotide step in DNA. The aim of this work is to take a protein sequence or structural features as inputs and predict for each amino acid residue if it binds to DNA at locations identified by one of the four possible mononucleotides or one of the 10 unique dinucleotide steps. Contact predictions are made at various levels of resolution viz. in terms of side chain, backbone and major or minor groove atoms of DNA. Results Significant differences in residue preferences for specific contacts are observed, which combined with other features, lead to promising levels of prediction. In general, PSSM-based predictions, supported by secondary structure and solvent accessibility, achieve a good predictability of ~70–80%, measured by the area under the curve (AUC of ROC graphs. The major and minor groove contact predictions stood out in terms of their poor predictability from sequences or PSSM, which was very strongly (>20 percentage points compensated by the addition of secondary structure and solvent accessibility information, revealing a predominant role of local protein structure in the major/minor groove DNA-recognition. Following a detailed

  17. 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.

  18. 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.

  19. 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...

  20. 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.

  1. Identification of core promoter modules in Drosophila and their application in accurate transcription start site prediction.

    Science.gov (United States)

    Ohler, Uwe

    2006-01-01

    The reliable recognition of eukaryotic RNA polymerase II core promoters, and the associated transcription start sites (TSSs) of genes, has been an ongoing challenge for computational biology. High throughput experimental methods such as tiling arrays or 5' SAGE/EST sequencing have recently lead to much larger datasets of core promoters, and to the assessment that the well-known core promoter sequence elements such as the TATA box appear to be much less frequent than thought. Here, we address the co-occurrence of several previously identified core promoter sequence motifs in Drosophila melanogaster to determine frequently occurring core promoter modules. We then use this in a new strategy to model core promoters as a set of alternative submodels for different core promoter architectures reflecting these different motif modules. We show that this system improves greatly on computational promoter recognition and leads to highly accurate in silico TSS prediction. Our results indicate that at least for the case of the fruit fly, we are getting closer to an understanding of how the beginning of a gene is defined in a eukaryotic genome.

  2. 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

    2018-02-24

    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.

  3. Superconducting cavities for LEP

    CERN Multimedia

    CERN PhotoLab

    1983-01-01

    Above: a 350 MHz superconducting accelerating cavity in niobium of the type envisaged for accelerating electrons and positrons in later phases of LEP. Below: a small 1 GHz cavity used for investigating the surface problems of superconducting niobium. Albert Insomby stays on the right. See Annual Report 1983 p. 51.

  4. Methylated CpG site count of dapper homolog 1 (DACT1) promoter prediction the poor survival of gastric cancer.

    Science.gov (United States)

    Deng, Jingyu; Liang, Han; Zhang, Rupeng; Ying, Guoguang; Xie, Xingmin; Yu, Jun; Fan, Daiming; Hao, Xishan

    2014-01-01

    To elucidate the clinical significance of the methylated status of CpG sites of dapper homolog 1 (DACT1) promoter in the survival prediction in gastric cancer (GC). The large scale GC patients (n=459) were analyzed for the quantitatively methylated status of CpG sites of DACT1 DNA promoter with the bisulphite sequencing PCR (BSP). With gene sequencing analysis, the methylated statuses of 12 cytosine-phosphate-guanine (CpG) sites in DACT1 promoter were detected to supply detailed information for the precisely prognostic prediction. Associations between molecular, clinicopathologic, and survival data were analyzed. With the MSP detection, different methylated levels of DACT1 promoter were identified in the 25 GC tissues, while none of 25 normal gastric mucosal tissues were found to be methylated. DACT1 promoter methylation was found in 28.32% in 459 patients. GC patients with 4 or more methylated CpG sites of DACT1 promoter was significantly associated with the poorer survival (P=0.19). The methylated statuses of CpG -515, CpG -435, and CpG -430 sites were also identified to provide the elaborate survival discrimination for 459 GC patients, respectively (P=0.049, =0.006, and =0.037). In addition, we demonstrated that the methylated CpG site count had smallest AIC and BIC values than other three methylated status of CpG sites for prediction the survival of 459 GC patients. The methylated CpG site count of DACT1 promoter had the significant applicability for clinical evaluation the prognosis of GC.

  5. Passive control of supersonic cavity flowfields

    Science.gov (United States)

    Chokani, N.; Kim, I.

    1991-01-01

    A computational investigation has been conducted to study the effect and mechanisms of the passive control of a supersonic flow over a rectangular two-dimensional cavity. The passive control was included through the use of a porous surface over a vent chamber in the floor of the cavity. The passive control effectively suppressed the low-frequency pressure oscillations for the open type cavity, (length-to-depth ratio = 6.0). The mechanism for the suppression was observed to be the stabilization of the motion of the free shear layer. For the closed type cavity flow, (length-to-depth ratio = 17.5), the passive control modified the flowfield to nearly that of an open type cavity flow; further the cavity drag was reduced by a factor of four. The computational results of both cases showed good agreement with the available experimental data and the predictions of a semiempirical formula. This study demonstrates that the passive control concept can be used to improve the aerodynamic characteristics of open and closed cavity flowfields.

  6. 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...

  7. Predicting pupylation sites in prokaryotic proteins using semi-supervised self-training support vector machine algorithm.

    Science.gov (United States)

    Ju, Zhe; Gu, Hong

    2016-08-15

    As one important post-translational modification of prokaryotic proteins, pupylation plays a key role in regulating various biological processes. The accurate identification of pupylation sites is crucial for understanding the underlying mechanisms of pupylation. Although several computational methods have been developed for the identification of pupylation sites, the prediction accuracy of them is still unsatisfactory. Here, a novel bioinformatics tool named IMP-PUP is proposed to improve the prediction of pupylation sites. IMP-PUP is constructed on the composition of k-spaced amino acid pairs and trained with a modified semi-supervised self-training support vector machine (SVM) algorithm. The proposed algorithm iteratively trains a series of support vector machine classifiers on both annotated and non-annotated pupylated proteins. Computational results show that IMP-PUP achieves the area under receiver operating characteristic curves of 0.91, 0.73, and 0.75 on our training set, Tung's testing set, and our testing set, respectively, which are better than those of the different error costs SVM algorithm and the original self-training SVM algorithm. Independent tests also show that IMP-PUP significantly outperforms three other existing pupylation site predictors: GPS-PUP, iPUP, and pbPUP. Therefore, IMP-PUP can be a useful tool for accurate prediction of pupylation sites. A MATLAB software package for IMP-PUP is available at https://juzhe1120.github.io/. Copyright © 2016 Elsevier Inc. All rights reserved.

  8. 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)

  9. 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.

  10. Predictive and prognostic values of transient ischemic dilatation of left ventricular cavity for coronary artery disease and impact of various managements on clinical outcome using technetium-99m sestamibi gated myocardial perfusion imaging

    International Nuclear Information System (INIS)

    Zaman, M.U.; Fatima, N.; Samad, A.; Ishaq, M.; Wali, A.; Rehman, K.; Bano, J.

    2011-01-01

    Transient ischemic dilatation (TID) of left ventricular (LV) cavity during stress gated myocardial perfusion imaging (GMPI) is known as a predictor of severe coronary artery disease (CAD) and signifies worse prognosis. To assess predictive and prognostic value of TID of LV cavity using GMPI and clinical outcome in patients treated conservatively or with revascularization. 189 patients out of 2689 were recruited (M:F 127/62, mean age 56±9 years) whose same-day stress GMPI revealed TID ratio (>1.22) with no (sum stress score, SSS 2). Coronary angiography (CA) was performed within 3 months in 125/189 cases who were followed for mean period of 18±4 months for fatal or non-fatal myocardial infraction (MI). CA was positive in 121/125 patients with TID for significant CAD (left anterior descending (LAD) =11, multi vessel disease =110 patients, positive predictive value 95%) and negative for obstructive disease in 4/125 (false-positive cases). 41/121 underwent revascularization within 2 months of CA (Intervention group), and remaining 80/121 were managed conservatively (Non-Intervention group). Overall event rate was 20% (4/16%: fatal/non-fatal MIs). Kaplan-Meier survival curves revealed event-free survival in Intervention and Non-Intervention groups for fatal MI 98/96% (P=0.758), and for non-fatal MI, it was 97/58%, respectively (P=0.042). We conclude that TID is a reliable predictor of multi vessel CAD and is associated with high incidence of non-fatal MIs than fatal MIs. Revascularization (percutaneous coronary intervention (PCI)/coronary artery bypass graft (CABG)) rather than medical treatment should be considered in patients with TID for better clinical outcome. (author)

  11. 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.

  12. 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.

  13. 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. 

  14. Cavity squeezing by a quantum conductor

    International Nuclear Information System (INIS)

    Mendes, Udson C; Mora, Christophe

    2015-01-01

    Hybrid architectures integrating mesoscopic electronic conductors with resonant microwave cavities have a great potential for investigating unexplored regimes of electron–photon coupling. In this context, producing nonclassical squeezed light is a key step towards quantum communication with scalable solid-state devices. Here we show that parametric driving of the electronic conductor induces a squeezed steady state in the cavity. We find that squeezing properties of the cavity are essentially determined by the electronic noise correlators of the quantum conductor. In the case of a tunnel junction, we predict that squeezing is optimized by applying a time-periodic series of quantized δ—peaks in the bias voltage. For an asymmetric quantum dot, we show that a sharp Leviton pulse is able to achieve perfect cavity squeezing. (paper)

  15. SPS RF Cavity

    CERN Multimedia

    1975-01-01

    The picture shows one of the two initially installed cavities. 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 gradually increased: by end 1980 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 7412017X, 7411048X, 7505074.

  16. 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

  17. 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.

  18. 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

  19. Multicolor cavity soliton.

    Science.gov (United States)

    Luo, Rui; Liang, Hanxiao; Lin, Qiang

    2016-07-25

    We show a new class of complex solitary wave that exists in a nonlinear optical cavity with appropriate dispersion characteristics. The cavity soliton consists of multiple soliton-like spectro-temporal components that exhibit distinctive colors but coincide in time and share a common phase, formed together via strong inter-soliton four-wave mixing and Cherenkov radiation. The multicolor cavity soliton shows intriguing spectral locking characteristics and remarkable capability of spectrum management to tailor soliton frequencies, which would be very useful for versatile generation and manipulation of multi-octave spanning phase-locked Kerr frequency combs, with great potential for applications in frequency metrology, optical frequency synthesis, and spectroscopy.

  20. 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

  1. 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.

  2. 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...

  3. Stated choice models for predicting the impact of user fees at public recreation sites

    Science.gov (United States)

    Herbert W. Schroeder; Jordan Louviere

    1999-01-01

    A crucial question in the implementation of fee programs is how the users of recreation sites will respond to various levels and types of fees. Stated choice models can help managers anticipate the impact of user fees on people's choices among the alternative recreation sites available to them. Models developed for both day and overnight trips to several areas and...

  4. Predicting the Catalytic Sites of DACS and CAS2 Exploiting DAOCS ...

    African Journals Online (AJOL)

    chinhs

    resonance (NMR) structures of most NHIDOX enzyme, the plausible catalytic sites of protein can be forecasted using this structural bioinformatics approach. Key words: Enzyme, catalytic sites, isopenicillin ... kaempferol or myricetin. The ratio of these flavonols varies substantially among different tissues and can be altered in ...

  5. Snoring Sounds Predict Obstruction Sites and Surgical Response in Patients with Obstructive Sleep Apnea Hypopnea Syndrome

    OpenAIRE

    Lee, Li-Ang; Lo, Yu-Lun; Yu, Jen-Fang; Lee, Gui-She; Ni, Yung-Lun; Chen, Ning-Hung; Fang, Tuan-Jen; Huang, Chung-Guei; Cheng, Wen-Nuan; Li, Hsueh-Yu

    2016-01-01

    Snoring sounds generated by different vibrators of the upper airway may be useful indicators of obstruction sites in patients with obstructive sleep apnea hypopnea syndrome (OSAHS). This study aimed to investigate associations between snoring sounds, obstruction sites, and surgical responses (?50% reduction in the apnea-hypopnea index [AHI] and

  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. 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.

  8. 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.

  9. 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....

  10. 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...

  11. Strong homing does not predict high site fidelity in juvenile reef fishes

    Science.gov (United States)

    Streit, Robert P.; Bellwood, David R.

    2018-03-01

    After being displaced, juvenile reef fishes are able to return home over large distances. This strong homing behaviour is extraordinary and may allow insights into the longer-term spatial ecology of fish communities. For example, it appears intuitive that strong homing behaviour should be indicative of long-term site fidelity. However, this connection has rarely been tested. We quantified the site fidelity of juvenile fishes of four species after returning home following displacement. Two species, parrotfishes and Pomacentrus moluccensis, showed significantly reduced site fidelity after returning home. On average, they disappeared from their home sites almost 3 d earlier than expected. Mortality or competitive exclusion does not seem to be the main reasons for their disappearance. Rather, we suggest an increased propensity to relocate after encountering alternative reef locations while homing. It appears that some juvenile fishes may have a higher innate spatial flexibility than their strict homing drive suggests.

  12. 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

  13. 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

  14. 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

    . In this paper, we employ artificial neural networks to predict which AUG triplet in an mRNA sequence is the start codon. The trained networks correctly classified 88% of Arabidopsis and 85% of vertebrate AUG triplets. We find that our trained neural networks use a combination of local start codon context...... and global sequence information. Furthermore, analysis of false predictions shows that AUGs in frame with the actual start codon are more frequently selected than out-of-frame AUGs, suggesting that our nteworks use reading frame detection. A number of conflicts between neural network predictions and database...

  15. Structure-based comparative analysis and prediction of N-linked glycosylation sites in evolutionarily distant eukaryotes.

    Science.gov (United States)

    Lam, Phuc Vinh Nguyen; Goldman, Radoslav; Karagiannis, Konstantinos; Narsule, Tejas; Simonyan, Vahan; Soika, Valerii; Mazumder, Raja

    2013-04-01

    The asparagine-X-serine/threonine (NXS/T) motif, where X is any amino acid except proline, is the consensus motif for N-linked glycosylation. Significant numbers of high-resolution crystal structures of glycosylated proteins allow us to carry out structural analysis of the N-linked glycosylation sites (NGS). Our analysis shows that there is enough structural information from diverse glycoproteins to allow the development of rules which can be used to predict NGS. A Python-based tool was developed to investigate asparagines implicated in N-glycosylation in five species: Homo sapiens, Mus musculus, Drosophila melanogaster, Arabidopsis thaliana and Saccharomyces cerevisiae. Our analysis shows that 78% of all asparagines of NXS/T motif involved in N-glycosylation are localized in the loop/turn conformation in the human proteome. Similar distribution was revealed for all the other species examined. Comparative analysis of the occurrence of NXS/T motifs not known to be glycosylated and their reverse sequence (S/TXN) shows a similar distribution across the secondary structural elements, indicating that the NXS/T motif in itself is not biologically relevant. Based on our analysis, we have defined rules to determine NGS. Using machine learning methods based on these rules we can predict with 93% accuracy if a particular site will be glycosylated. If structural information is not available the tool uses structural prediction results resulting in 74% accuracy. The tool was used to identify glycosylation sites in 108 human proteins with structures and 2247 proteins without structures that have acquired NXS/T site/s due to non-synonymous variation. The tool, Structure Feature Analysis Tool (SFAT), is freely available to the public at http://hive.biochemistry.gwu.edu/tools/sfat. Copyright © 2013. Production and hosting by Elsevier Ltd.

  16. Performance predictions for mechanical excavators in Yucca Mountain tuffs; Yucca Mountain Site Characterization Project

    Energy Technology Data Exchange (ETDEWEB)

    Ozdemir, L.; Gertsch, L.; Neil, D.; Friant, J. [Colorado School of Mines, Golden, CO (United States). Earth Mechanics Inst.

    1992-09-01

    The performances of several mechanical excavators are predicted for use in the tuffs at Yucca Mountain: Tunnel boring machines, the Mobile Miner, a roadheader, a blind shaft borer, a vertical wheel shaft boring machine, raise drills, and V-Moles. Work summarized is comprised of three parts: Initial prediction using existing rock physical property information; Measurement of additional rock physical properties; and Revision of the initial predictions using the enhanced database. The performance predictions are based on theoretical and empirical relationships between rock properties and the forces-experienced by rock cutters and bits during excavation. Machine backup systems and excavation design aspects, such as curves and grades, are considered in determining excavator utilization factors. Instanteous penetration rate, advance rate, and cutter costs are the fundamental performance indicators.

  17. Predicting Autism Spectrum Disorder Using Domain-Adaptive Cross-Site Evaluation.

    Science.gov (United States)

    Bhaumik, Runa; Pradhan, Ashish; Das, Soptik; Bhaumik, Dulal K

    2018-02-17

    The advances in neuroimaging methods reveal that resting-state functional fMRI (rs-fMRI) connectivity measures can be potential diagnostic biomarkers for autism spectrum disorder (ASD). Recent data sharing projects help us replicating the robustness of these biomarkers in different acquisition conditions or preprocessing steps across larger numbers of individuals or sites. It is necessary to validate the previous results by using data from multiple sites by diminishing the site variations. We investigated partial least square regression (PLS), a domain adaptive method to adjust the effects of multicenter acquisition. A sparse Multivariate Pattern Analysis (MVVPA) framework in a leave one site out cross validation (LOSOCV) setting has been proposed to discriminate ASD from healthy controls using data from six sites in the Autism Brain Imaging Data Exchange (ABIDE). Classification features were obtained using 42 bilateral Brodmann areas without presupposing any prior hypothesis. Our results showed that using PLS, SVM showed poorer accuracies with highest accuracy achieved (62%) than without PLS but not significantly. The regions occurred in two or more informative connections are Dorsolateral Prefrontal Cortex, Somatosensory Association Cortex, Primary Auditory Cortex, Inferior Temporal Gyrus and Temporopolar area. These interrupted regions are involved in executive function, speech, visual perception, sense and language which are associated with ASD. Our findings may support early clinical diagnosis or risk determination by identifying neurobiological markers to distinguish between ASD and healthy controls.

  18. 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

  19. 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

  20. 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.

  1. 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.

  2. Optimal mutation sites for PRE data collection and membrane protein structure prediction.

    Science.gov (United States)

    Chen, Huiling; Ji, Fei; Olman, Victor; Mobley, Charles K; Liu, Yizhou; Zhou, Yunpeng; Bushweller, John H; Prestegard, James H; Xu, Ying

    2011-04-13

    Nuclear magnetic resonance paramagnetic relaxation enhancement (PRE) measures long-range distances to isotopically labeled residues, providing useful constraints for protein structure prediction. The method usually requires labor-intensive conjugation of nitroxide labels to multiple locations on the protein, one at a time. Here a computational procedure, based on protein sequence and simple secondary structure models, is presented to facilitate optimal placement of a minimum number of labels needed to determine the correct topology of a helical transmembrane protein. Tests on DsbB (four helices) using just one label lead to correct topology predictions in four of five cases, with the predicted structures structure. Benchmark results using simulated PRE data show that we can generally predict the correct topology for five and six to seven helices using two and three labels, respectively, with an average success rate of 76% and structures of similar precision. The results show promise in facilitating experimentally constrained structure prediction of membrane proteins. Copyright © 2011 Elsevier Ltd. All rights reserved.

  3. Automatic generation of bioinformatics tools for predicting protein–ligand binding sites

    Science.gov (United States)

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

    2016-01-01

    Motivation: 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. Results: 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. Availability and implementation: The source code and web application are freely available for download at http://utprot.net. They are implemented in Python and supported on Linux. Contact: shimizu@bi.a.u-tokyo.ac.jp Supplementary information: Supplementary data are available at Bioinformatics online. PMID:26545824

  4. Multi-model Predictive System for Solubility of CH4 and H2S in Water at Shale Gas Sites

    Science.gov (United States)

    Namhata, A.; Small, M.; Nakles, D. V.; Karamalidis, A.

    2013-12-01

    Technological advancements in horizontal drilling and hydraulic fracturing make extraction of natural gas from shale formations economically feasible. However, those activities may induce environmental risks associated with regional water quality due to migration of gases like CH4 and H2S through fractures and accidental spills. Thus, predicting the solubility of these gases in different aqueous conditions relevant to typical subsurface conditions is important. Nine models, including equations of state and empirical models, for predicting CH4 solubility in aqueous phases and six models for H2S are considered and evaluated. The goal of this study was to develop an integrated predictive system for each of these gases for a range of ionic strengths varying from freshwater, saline water and brine conditions over a temperature range of 298 - 483 K and a pressure range of 1 - 350 bars. The predictive accuracy of each model varies with different aqueous conditions. A variance - based weighted model is developed to predict the solubility of the two gases under different subsurface conditions (i.e., temperature, pressure and salt concentration (T-P-X)), and the performance of the weighted model is compared to the best fitting individual model in each case. Predicted and observed values are compared using a 5 - fold cross validation. Cases for which the weighted model outperforms the best predictive model for each of the two gases are identified and discussed. The modeling approach increases the predictive accuracy of CH4 and H2S solubility across the subsurface T-P-X conditions likely to be encountered at shale gas extraction sites.

  5. 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.

  6. 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

  7. 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

  8. Physical simulations of cavity closure in a creeping material

    Energy Technology Data Exchange (ETDEWEB)

    Sutherland, H.J.; Preece, D.S.

    1985-09-01

    The finite element method has been used extensively to predict the creep closure of underground petroleum storage cavities in rock salt. Even though the numerical modeling requires many simplifying assumptions, the predictions have generally correlated with field data from instrumented wellheads, however, the field data are rather limited. To gain an insight into the behavior of three-dimensional arrays of cavities and to obtain a larger data base for the verification of analytical simulations of creep closure, a series of six centrifuge simulation experiments were performed using a cylindrical block of modeling clay, a creeping material. Three of the simulations were conducted with single, centerline cavities, and three were conducted with a symmetric array of three cavities surrounding a central cavity. The models were subjected to body force loading using a centrifuge. For the single cavity experiments, the models were tested at accelerations of 100, 125 and 150 g's for 2 hours. For the multi-cavity experiments, the simulations were conducted at 100 g's for 3.25 hours. The results are analyzed using dimensional analyses. The analyses illustrate that the centrifuge simulations yield self-consistent simulations of the creep closure of fluid-filled cavities and that the interaction of three-dimensional cavity layouts can be investigated using this technique.

  9. Thermal and dynamic effects in electron beam welding cavities

    Energy Technology Data Exchange (ETDEWEB)

    Schauer, D.A.

    1977-08-01

    An experimental and analytical study of the temperature distributions along the molten metal surface in an electron beam welding cavity is described. Surface temperature distributions in cavities were measured with a narrow band infrared radiation pyrometer. The availability of the cavity temperature measurements allowed estimates to be made for the vapor pressure and surface energy forces as a function of cavity position. The results indicated a force imbalance occurred in the cavity. It is postulated that at the location of the force imbalance a liquid material projection forms periodically and moves into the path of the electron beam. The liquid in this projection is driven towards the bottom, partially filling the cavity. This action is followed by the electron beam pushing the liquid aside to form a maximum depth cavity. This process is then repeated. An analysis for predicting cavity oscillation frequency shows reasonable agreement with frequencies measured at the weld root determined from weld sections. A study of the measured temperature distributions in cavities of varying depth combined with the force imbalance observations led to an interpretation of when spiking might occur. A procedure is proposed for determining the spiking tendency for a given set of weld parameters. The results of this study permit a designer to select apriori the best set of weld parameters to achieve a weld of predictable quality.

  10. Thermal and dynamic effects in electron beam welding cavities

    International Nuclear Information System (INIS)

    Schauer, D.A.

    1977-08-01

    An experimental and analytical study of the temperature distributions along the molten metal surface in an electron beam welding cavity is described. Surface temperature distributions in cavities were measured with a narrow band infrared radiation pyrometer. The availability of the cavity temperature measurements allowed estimates to be made for the vapor pressure and surface energy forces as a function of cavity position. The results indicated a force imbalance occurred in the cavity. It is postulated that at the location of the force imbalance a liquid material projection forms periodically and moves into the path of the electron beam. The liquid in this projection is driven towards the bottom, partially filling the cavity. This action is followed by the electron beam pushing the liquid aside to form a maximum depth cavity. This process is then repeated. An analysis for predicting cavity oscillation frequency shows reasonable agreement with frequencies measured at the weld root determined from weld sections. A study of the measured temperature distributions in cavities of varying depth combined with the force imbalance observations led to an interpretation of when spiking might occur. A procedure is proposed for determining the spiking tendency for a given set of weld parameters. The results of this study permit a designer to select apriori the best set of weld parameters to achieve a weld of predictable quality

  11. 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)

  12. 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.

  13. Short-cavity squeezing in barium

    International Nuclear Information System (INIS)

    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

  14. 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

    O-GalNAc-glycosylation is one of the main types of glycosylation in mammalian cells. No consensus recognition sequence for the O-glycosyltransferases is known, making prediction methods necessary to bridge the gap between the large number of known protein sequences and the small number of protein...

  15. 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.

  16. 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

  17. Understanding cavity QED effects from cavity classical electrodynamics

    International Nuclear Information System (INIS)

    Taddei, M.M.; Kort-Kamp, W.J.M.; Farina, C.

    2011-01-01

    Full text: Our work intends to show how cavity classical electrodynamics can be used for achieving results with direct quantum analogues. It is shown how the classical interaction between a real radiating electric dipole and a perfectly-conducting surface can be used to obtain information about some cavity quantum electrodynamics effects related to radiative properties of atomic systems. Based on the case of an oscillating electric dipole (a classical representation of an excited atom) in front of a perfectly-conducting sphere, two main physical quantities can be computed, the classical dipole frequency shift and the change in the rate of energy loss from radiation reaction, both due to the presence of the sphere. The link from classical to quantum can be made via interpreting, for example, the dipole frequency as the atom's dominant transition frequency. The frequency shift due to the sphere can be related through E = (h/2π) to the energy shift of the system, i.e., the dispersive interaction between the atom and the sphere; while the change in energy loss can be related to the alteration of the atom's spontaneous emission due to the sphere. The amazing result is that this classical method, once corresponded classical quantities to quantum ones such as exemplified above with frequency, can predict the two above-mentioned quantum effects analytically with the correct functional dependencies on all geometric and atomic parameters, being off only by a constant pre factor. (author)

  18. Single-nucleotide mutation matrix: a new model for predicting the NF-κB DNA binding sites.

    Science.gov (United States)

    Du, Wenxin; Gao, Jing; Wang, Tingting; Wang, Jinke

    2014-01-01

    In this study, we established a single nucleotide mutation matrix (SNMM) model based on the relative binding affinities of NF-κB p50 homodimer to a wild-type binding site (GGGACTTTCC) and its all single-nucleotide mutants detected with the double-stranded DNA microarray. We evaluated this model by scoring different groups of 10-bp DNA sequences with this model and analyzing the correlations between the scores and the relative binding affinities detected with three wet experiments, including the electrophoresis mobility shift assay (EMSA), the protein-binding microarray (PBM) and the systematic evolution of ligands by exponential enrichment-sequencing (SELEX-Seq). The results revealed that the SNMM scores were strongly correlated with the detected binding affinities. We also scored the DNA sequences with other three models, including the principal coordinate (PC) model, the position weight matrix scoring algorithm (PWMSA) model and the Match model, and analyzed the correlations between the scores and the detected binding affinities. In comparison with these models, the SNMM model achieved reliable results. We finally determined 0.747 as the optimal threshold for predicting the NF-κB DNA-binding sites with the SNMM model. The SNMM model thus provides a new alternative model for scoring the relative binding affinities of NF-κB to the 10-bp DNA sequences and predicting the NF-κB DNA-binding sites.

  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. Prediction models for assessing anthocyanins in grape berries by fluorescence sensors: Dependence on cultivar, site and growing season.

    Science.gov (United States)

    Pinelli, Patrizia; Romani, Annalisa; Fierini, Elisa; Agati, Giovanni

    2018-04-01

    Fluorescence sensors are useful tools for the non-destructive assessment of grape berry anthocyanins. The Multiplex (Mx) sensor here studied provides two anthocyanin indices: ANTH R  = log(1/Chl-fluorescence_R) and ANTH RG  = log(Chl-fluorescence_R/Chl-fluorescence_G), based on the chlorophyll (Chl) fluorescence excited with red (R) and green (G) light. These indices were calibrated against wet chemistry. The dependence of anthocyanin prediction models on cultivar, season and site was studied on four cultivars in two Italian regions during three consecutive years. The 2010 global model (all cultivars at both growing sites) gave relative prediction errors on anthocyanin content less than 14.1% (ANTH R ) and 19.0% (ANTH RG ). The ANTH RG was independent of season, maintaining a relative error of about 20% in both 2011 and 2012. In field applications of the calibrated Mx, it showed its ability to detect inter-plot and inter-season differences on both growing sites. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. 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.

  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. 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. Prediction of N-linked glycosylation sites using position relative features and statistical moments.

    Science.gov (United States)

    Akmal, Muhammad Aizaz; Rasool, Nouman; Khan, Yaser Daanial

    2017-01-01

    Glycosylation is one of the most complex post translation modification in eukaryotic cells. Almost 50% of the human proteome is glycosylated as glycosylation plays a vital role in various biological functions such as antigen's recognition, cell-cell communication, expression of genes and protein folding. It is a significant challenge to identify glycosylation sites in protein sequences as experimental methods are time taking and expensive. A reliable computational method is desirable for the identification of glycosylation sites. In this study, a comprehensive technique for the identification of N-linked glycosylation sites has been proposed using machine learning. The proposed predictor was trained using an up-to-date dataset through back propagation algorithm for multilayer neural network. The results of ten-fold cross-validation and other performance measures such as accuracy, sensitivity, specificity and Mathew's correlation coefficient inferred that the accuracy of proposed tool is far better than the existing systems such as Glyomine, GlycoEP, Ensemble SVM and GPP.

  6. Prediction of N-linked glycosylation sites using position relative features and statistical moments.

    Directory of Open Access Journals (Sweden)

    Muhammad Aizaz Akmal

    Full Text Available Glycosylation is one of the most complex post translation modification in eukaryotic cells. Almost 50% of the human proteome is glycosylated as glycosylation plays a vital role in various biological functions such as antigen's recognition, cell-cell communication, expression of genes and protein folding. It is a significant challenge to identify glycosylation sites in protein sequences as experimental methods are time taking and expensive. A reliable computational method is desirable for the identification of glycosylation sites. In this study, a comprehensive technique for the identification of N-linked glycosylation sites has been proposed using machine learning. The proposed predictor was trained using an up-to-date dataset through back propagation algorithm for multilayer neural network. The results of ten-fold cross-validation and other performance measures such as accuracy, sensitivity, specificity and Mathew's correlation coefficient inferred that the accuracy of proposed tool is far better than the existing systems such as Glyomine, GlycoEP, Ensemble SVM and GPP.

  7. 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

  8. 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...... and earlier classification data using machine learning methods. The possibilities and limitations of using structure-based drug design tools for cytochrome P450 1A2 come to light and are discussed....

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  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. 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.

  15. Enhanced Method for Cavity Impedance Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Frank Marhauser, Robert Rimmer, Kai Tian, Haipeng Wang

    2009-05-01

    With the proposal of medium to high average current accelerator facilities the demand for cavities with extremely low Higher Order Mode (HOM) impedances is increasing. Modern numerical tools are still under development to more thoroughly predict impedances that need to take into account complex absorbing boundaries and lossy materials. With the usually large problem size it is preferable to utilize massive parallel computing when applicable and available. Apart from such computational issues, we have developed methods using available computer resources to enhance the information that can be extracted from a cavities? wakefield computed in time domain. In particular this is helpful for a careful assessment of the extracted RF power and the mitigation of potential beam break-up or emittance diluting effects, a figure of merit for the cavity performance. The method is described as well as an example of its implementation.

  16. 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...

  17. 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.

  18. iNitro-Tyr: prediction of nitrotyrosine sites in proteins with general pseudo amino acid composition.

    Directory of Open Access Journals (Sweden)

    Yan Xu

    Full Text Available Nitrotyrosine is one of the post-translational modifications (PTMs in proteins that occurs when their tyrosine residue is nitrated. Compared with healthy people, a remarkably increased level of nitrotyrosine is detected in those suffering from rheumatoid arthritis, septic shock, and coeliac disease. Given an uncharacterized protein sequence that contains many tyrosine residues, which one of them can be nitrated and which one cannot? This is a challenging problem, not only directly related to in-depth understanding the PTM's mechanism but also to the nitrotyrosine-based drug development. Particularly, with the avalanche of protein sequences generated in the postgenomic age, it is highly desired to develop a high throughput tool in this regard. Here, a new predictor called "iNitro-Tyr" was developed by incorporating the position-specific dipeptide propensity into the general pseudo amino acid composition for discriminating the nitrotyrosine sites from non-nitrotyrosine sites in proteins. It was demonstrated via the rigorous jackknife tests that the new predictor not only can yield higher success rate but also is much more stable and less noisy. A web-server for iNitro-Tyr is accessible to the public at http://app.aporc.org/iNitro-Tyr/. For the convenience of most experimental scientists, we have further provided a protocol of step-by-step guide, by which users can easily get their desired results without the need to follow the complicated mathematics that were presented in this paper just for the integrity of its development process. It has not escaped our notice that the approach presented here can be also used to deal with the other PTM sites in proteins.

  19. Infection site is predictive of outcome in acute lung injury associated with severe sepsis and septic shock.

    Science.gov (United States)

    Fujishima, Seitaro; Gando, Satoshi; Daizoh, Saitoh; Kushimoto, Shigeki; Ogura, Hiroshi; Mayumi, Toshihiko; Takuma, Kiyotsugu; Kotani, Joji; Yamashita, Norio; Tsuruta, Ryosuke; Takeyama, Naoshi; Shiraishi, Shin-Ichiro; Araki, Tsunetoshi; Suzuki, Koichiro; Ikeda, Hiroto; Miki, Yasuo; Suzuki, Yasushi; Yamaguchi, Yoshihiro; Aikawa, Naoki

    2016-07-01

    Sepsis is a leading cause of acute lung injury (ALI); however, the characteristics and outcome of sepsis-associated ALI are poorly understood. We aimed to elucidate factors that predict patient outcome in sepsis-associated ALI. Secondary analysis of a multicenter, prospective, observational study was performed. Among 624 patients with severe sepsis and septic shock, 251 (40.2%) fulfilled the definition of American-European Consensus Conference definition of ALI. All-cause 28-day and in-hospital mortalities were 30.7% and 38.6%, respectively. More than 40% of ALI patients had neurological, cardiovascular and haematological dysfunctions or disseminated intravascular coagulation, all of which were associated with higher mortality. We report a significant correlation between infection site and mortality in patients with ALI, but not in those without ALI. The proportion of ALI was significantly higher in pulmonary sepsis; further, a complication of ALI was associated with higher mortality in sepsis from pulmonary and other sources, but not in abdominal sepsis. Among the other sepsis sites, urinary tract, central nervous system, catheter-related and undetermined foci of infection had worse outcomes when associated with ALI. None of the individual severe sepsis bundles, including fluid resuscitation and early antibiotic administration, correlated with mortality. Compliance with a set of sepsis management bundles was associated with better outcomes. In severe sepsis and septic shock, the proportion and effect on outcome was not uniform among infection sites. The infection site was predictive of outcome in patients with ALI but not in those without ALI. © 2016 Asian Pacific Society of Respirology.

  20. 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

  1. In Silico Structure Prediction of Human Fatty Acid Synthase-Dehydratase: A Plausible Model for Understanding Active Site Interactions.

    Science.gov (United States)

    John, Arun; Umashankar, Vetrivel; Samdani, A; Sangeetha, Manoharan; Krishnakumar, Subramanian; Deepa, Perinkulam Ravi

    2016-01-01

    Fatty acid synthase (FASN, UniProt ID: P49327) is a multienzyme dimer complex that plays a critical role in lipogenesis. Consequently, this lipogenic enzyme has gained tremendous biomedical importance. The role of FASN and its inhibition is being extensively researched in several clinical conditions, such as cancers, obesity, and diabetes. X-ray crystallographic structures of some of its domains, such as β-ketoacyl synthase, acetyl transacylase, malonyl transacylase, enoyl reductase, β-ketoacyl reductase, and thioesterase, (TE) are already reported. Here, we have attempted an in silico elucidation of the uncrystallized dehydratase (DH) catalytic domain of human FASN. This theoretical model for DH domain was predicted using comparative modeling methods. Different stand-alone tools and servers were used to validate and check the reliability of the predicted models, which suggested it to be a highly plausible model. The stereochemical analysis showed 92.0% residues in favorable region of Ramachandran plot. The initial physiological substrate β-hydroxybutyryl group was docked into active site of DH domain using Glide. The molecular dynamics simulations carried out for 20 ns in apo and holo states indicated the stability and accuracy of the predicted structure in solvated condition. The predicted model provided useful biochemical insights into the substrate-active site binding mechanisms. This model was then used for identifying potential FASN inhibitors using high-throughput virtual screening of the National Cancer Institute database of chemical ligands. The inhibitory efficacy of the top hit ligands was validated by performing molecular dynamics simulation for 20 ns, where in the ligand NSC71039 exhibited good enzyme inhibition characteristics and exhibited dose-dependent anticancer cytotoxicity in retinoblastoma cancer cells in vitro.

  2. Primary leiomyosarcoma of peritoneal cavity

    Directory of Open Access Journals (Sweden)

    Jyotsna Naresh Bharti

    2014-03-01

    Full Text Available Leiomyosarcomas of soft tissue are the rare tumors and the retroperitoneum is the most common site involved. We report a case of primary leiomyosarcoma of the peritoneal cavity which clinically presented with suprapubic, freely mobile, nontender mass which measured 10×10 cm in size. Contrast enhanced computed tomography revealed well defined heterogenous hypodense solid cystic mass. The mass was surgically excised out in its entirety. The histopathological examination revealed spindle cells arranged in alternating fascicles having pleomorphic nuclei, indistinct margin and eosinophilic cytoplasm with foci of haemorrhage, necrosis and 5-6 mitosis/HPF. The spindle cells were immunoreactive for smooth muscle actin, desmin and negative for S-100, CD-34 and c-kit. Histopathology and immunohistochemistry were helpful in making the final confirmatory diagnosis. Leiomyosarcomas are aggressive tumors, with poor prognosis and often difficult to treat. The survival rates are lowest among all soft tissue sarcomas.

  3. Distribution of cavity trees in midwesternold-growth and second-growth forests

    Science.gov (United States)

    Zhaofei Fan; Stephen R. Shifley; Martin A. Spetich; Frank R., III 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...

  4. 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

  5. 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

  6. 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

  7. Changeability of Oral Cavity Environment

    OpenAIRE

    Surdacka, Anna; Strzyka?a, Krystyna; Rydzewska, Anna

    2007-01-01

    Objectives In dentistry, the results of in vivo studies on drugs, dental fillings or prostheses are routinely evaluated based on selected oral cavity environment parameters at specific time points. Such evaluation may be confounded by ongoing changes in the oral cavity environment induced by diet, drug use, stress and other factors. The study aimed to confirm oral cavity environment changeability. Methods 24 healthy individuals aged 20?30 had their oral cavity environment prepared by having p...

  8. 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 .

  9. 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

  10. 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....

  11. Single-cavity SLED device

    International Nuclear Information System (INIS)

    Lippmann, B.A.

    1984-09-01

    The conventional SLED device used at SLAC requires two cavities. However, the same effect can be obtained with a single cavity; the theory and operation of the device is the same, only the hardware is changed. The single-cavity device is described here

  12. 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.

  13. 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.

  14. 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

  15. 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.  

  16. Digital Cavity Resonance Monitor, alternative method of measuring cavity microphonics

    International Nuclear Information System (INIS)

    Tomasz Plawski; G. Davis; Hai Dong; J. Hovater; John Musson; Thomas Powers

    2005-01-01

    As is well known, mechanical vibration or microphonics in a cryomodule causes the cavity resonance frequency to change at the vibration frequency. One way to measure the cavity microphonics is to drive the cavity with a Phase Locked Loop. Measurement of the instantaneous frequency or PLL error signal provides information about the cavity microphonic frequencies. Although the PLL error signal is available directly, precision frequency measurements require additional instrumentation, a Cavity Resonance Monitor (CRM). The analog version of such a device has been successfully used for several cavity tests [1]. In this paper we present a prototype of a Digital Cavity Resonance Monitor designed and built in the last year. The hardware of this instrument consists of an RF downconverter, digital quadrature demodulator and digital processor motherboard (Altera FPGA). The motherboard processes received data and computes frequency changes with a resolution of 0.2 Hz, with a 3 kHz output bandwidth

  17. Coupled Geomechanical Simulations of UCG Cavity Evolution

    Energy Technology Data Exchange (ETDEWEB)

    Morris, J P; Buscheck, T A; Hao, Y

    2009-07-13

    This paper presents recent work from an ongoing project to develop predictive tools for cavity/combustion-zone growth and to gain quantitative understanding of the processes and conditions (both natural and engineered) affecting underground coal gasification (UCG). In this paper we will focus upon the development of coupled geomechanical capabilities for simulating the evolution of the UCG cavity using discrete element methodologies. The Discrete Element Method (DEM) has unique advantages for facilitating the prediction of the mechanical response of fractured rock masses, such as cleated coal seams. In contrast with continuum approaches, the interfaces within the coal can be explicitly included and combinations of both elastic and plastic anisotropic response are simulated directly. Additionally, the DEM facilitates estimation of changes in hydraulic properties by providing estimates of changes in cleat aperture. Simulation of cavity evolution involves a range of coupled processes and the mechanical response of the host coal and adjoining rockmass plays a role in every stage of UCG operations. For example, cavity collapse during the burn has significant effect upon the rate of the burn itself. In the vicinity of the cavity, collapse and fracturing may result in enhanced hydraulic conductivity of the rock matrix in the coal and caprock above the burn chamber. Even far from the cavity, stresses due to subsidence may be sufficient to induce new fractures linking previously isolated aquifers. These mechanical processes are key in understanding the risk of unacceptable subsidence and the potential for groundwater contamination. These mechanical processes are inherently non-linear, involving significant inelastic response, especially in the region closest to the cavity. In addition, the response of the rock mass involves both continuum and discrete mechanical behavior. We have recently coupled the LDEC (Livermore Distinct Element Code) and NUFT (Non

  18. Catheter Ablation of Idiopathic Left Posterior Fascicular Ventricular Tachycardia: Predicting the Site of Origin via Mapping and Electrocardiography.

    Science.gov (United States)

    Ma, Wei; Lu, Fengmin; Shehata, Michael; Wang, Xunzhang; Zhang, Fan; Chen, Bingwei; Wu, Dongyan; He, Le; Sun, Shan; Cheng, Aijuan; Ding, Jun; Cong, Hongliang; Xu, Jing

    2017-11-01

    We report the 12-lead ECG morphology of left posterior fascicular ventricular tachycardia (LPF-VT) and the relationship between His-ventricular (HV) interval and site of origin in LPF-VT. We studied 41 patients who underwent successful catheter ablation of LPF-VT with HV interval >0 ms (n=8; proximal-LPF group), HV interval 0 to -15 ms (n=15; middle-LPF group), and HV interval <-15 ms (n=18; distal-LPF group). The earliest mapped presystolic potential (PP)-QRS interval was 34.1±4.2, 24.5±3.2, and 19.4±2.8 ms in proximal-, middle-, and distal-LPF groups. The earliest PP ratio (PP-QRS interval during VT/HV interval during sinus rhythm) was 0.59±0.05, 0.45±0.07, and 0.31±0.05 in the proximal-, middle-, and distal-LPF groups. There were statistically significant differences between the 3 groups in earliest PP ratio, and there was close correlation between the HV interval during LPF-VT and earliest PP ratio. The QRS duration in the proximal-LPF group (114±6 ms) was significantly narrower compared with the middle-LPF group (128±5 ms) and distal-LPF group (140±6 ms). In leads I and V6, the ratio of R/S tended to be greater in the proximal-LPF group compared with the other 2 groups. QRS duration, the ratio of R/S in leads V6, and lead I could predict a proximal or distal origin site of LPF-VT with high sensitivity and specificity. The HV interval and 12-lead ECG morphology of LPF-VT may help predict the successful site of origin and prove useful in guiding an effective ablation strategy. © 2017 American Heart Association, Inc.

  19. 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.

  20. 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.

  1. The oral cavity - potential source of stem cells.

    Science.gov (United States)

    Brożek, Rafał; Kurpisz, Maciej; Koczorowski, Ryszard

    2017-10-19

    The purpose of this review is to present the current knowledge regarding the hierarchy of stem cells originating from the oral cavity, which could have a potential value when applied to regenerative stomatology. It must be particularly emphasized that the heterogenous nature of its biology and function within oral compartment may predispose them to different types of applications. Stem cells can be perceived as immature, primitive and unspecialized types of cells with the ability to proliferate, self-renew and differentiate into specialized progeny according to the compartmental signaling. Their presence in tissue reservoirs was already discovered in many organs and tissues as well as in the stomatognathic system. The oral cavity appears to be an exceptionally attractive site to acquire stem cells. The common presence and easy access to these cells in dental and peridental tissues provides a real chance to apply them for therapeutic purposes. Such an opportunity would also be neutral to bioethical and moral issues, assuming autologous stem cells employment. Many authors suspect that stem cells have epigenetic memory, so some of their features can be inherited through generations. They are not connected, however, with DNA sequence modifications. It is, therefore, justified to apply the cells, which have the oral cavity as their natural reservoir, in interventions associated with tissue engineering within the stomatognathic system. An increasing number of clinical trials, among which the number of randomized studies with large group of patients is progressively carried out, allows for a prediction that shortly therapeutic methods based on stem cells of dental origin may be implemented to the routine repertoire of clinical practice.

  2. A Quantitative Comparison of Prediction Methods for Daily Streamflow Time Series at Ungaged Sites

    Science.gov (United States)

    Kiang, Julie; Farmer, William; Archfield, Stacey; Over, Thomas; Vogel, Richard

    2014-05-01

    The existence of reliable, continuous daily records of natural streamflow enhances our ability to manage our water resources. In many regions, due to a lack of adequate gaging resources, it is necessary to create representative records where none exist. Research on prediction in ungaged basins (PUB) has been very active over the past decade. We report the findings of an ongoing national study by the U.S. Geological Survey, which seeks to provide spatially and temporally continuous 30-year records of historical daily records of natural streamflow (1980-2010) at the watershed scale (HUC-12). Employing data from 182 nearly pristine basins in the Southeast United States, a three-fold validation procedure was used to simulate the ungaged case for each basin. Ungaged flows were estimated using transfer-based methods: standardizing by drainage area, mean flows, means and standard deviations, and using an interpolation of flow duration curves (QPPQ). The effect of index-gage selection was also considered: using the nearest-neighboring gage or the gage with the greatest correlation. These methods were compared with a daily version of the Analysis of Flows in Networks of Channels (AFINCH) model and the Precipitation-Runoff Modeling System (PRMS), a deterministic model. We developed a multi-objective, comparative assessment of PUB methods. The selection of an optimal PUB method is shown to depend on the intended application of the estimated flow record. We identify the PUB methods that perform best across the 32 goodness-of-fit metrics considered.

  3. Derivation of groundwater threshold values for analysis of impacts predicted at potential carbon sequestration sites

    Energy Technology Data Exchange (ETDEWEB)

    Last, G. V.; Murray, C. J.; Bott, Y.

    2016-06-01

    The U.S. Department of Energy’s (DOE’s) National Risk Assessment Partnership (NRAP) Project is developing reduced-order models to evaluate potential impacts to groundwater quality due to carbon dioxide (CO2) or brine leakage, should it occur from deep CO2 storage reservoirs. These efforts targeted two classes of aquifer – an unconfined fractured carbonate aquifer based on the Edwards Aquifer in Texas, and a confined alluvium aquifer based on the High Plains Aquifer in Kansas. Hypothetical leakage scenarios focus on wellbores as the most likely conduits from the storage reservoir to an underground source of drinking water (USDW). To facilitate evaluation of potential degradation of the USDWs, threshold values, below which there would be no predicted impacts, were determined for each of these two aquifer systems. These threshold values were calculated using an interwell approach for determining background groundwater concentrations that is an adaptation of methods described in the U.S. Environmental Protection Agency’s Unified Guidance for Statistical Analysis of Groundwater Monitoring Data at RCRA Facilities. Results demonstrate the importance of establishing baseline groundwater quality conditions that capture the spatial and temporal variability of the USDWs prior to CO2 injection and storage.

  4. 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.

  5. Heterologous expression of predicted promoter site for paraquat-inducible genes of the bacterium Chromobacterium violaceum is increased by plumbagin

    Directory of Open Access Journals (Sweden)

    Jane Eyre Gabriel

    2017-05-01

    Full Text Available The aim of this study was to evaluate functionally the effect of plumbagin on the heterologous expression of a predicted promoter region of open reading frames of paraquat-inducible (pqi genes revealed during genome annotation analyses of the bacterium Chromobacterium violaceum. First, the promoter of interest was amplified using specific primers and cloned into a conjugative vector carrying the Escherichia coli lacZ gene without a promoter. The heterologous expression of the predicted promoter region was then examined in the presence of 50 µg/mL plumbagin by β-galactosidase expression assays. Significant differences were detected in the levels of β-galactosidase as a result of the activation of the promoter region of interest in response to plumbagin at the concentration tested. On the other hand, no growth of the wild strain of C. violaceum was found during its incubation in nutrient broth medium containing different concentrations of plumbagin compared to control group. The findings described herein demonstrate that the heterologous expression of a predicted promoter site of pqi genes of C. violaceum is induced by plumbagin in a fusion strain, giving insights into the functional characterization of intrinsic regulatory DNA motifs annotated in this bacterial genome.

  6. Heterologous expression of predicted promoter site for paraquat-inducible genes of the bacterium Chromobacterium violaceum is increased by plumbagin

    Directory of Open Access Journals (Sweden)

    Jane Eyre Gabriel

    2017-05-01

    Full Text Available http://dx.doi.org/10.5007/2175-7925.2017v30n2p1 The aim of this study was to evaluate functionally the effect of plumbagin on the heterologous expression of a predicted promoter region of open reading frames of paraquat-inducible (pqi genes revealed during genome annotation analyses of the bacterium Chromobacterium violaceum. First, the promoter of interest was amplified using specific primers and cloned into a conjugative vector carrying the Escherichia coli lacZ gene without a promoter. The heterologous expression of the predicted promoter region was then examined in the presence of 50 µg/mL plumbagin by β-galactosidase expression assays. Significant differences were detected in the levels of β-galactosidase as a result of the activation of the promoter region of interest in response to plumbagin at the concentration tested. On the other hand, no growth of the wild strain of C. violaceum was found during its incubation in nutrient broth medium containing different concentrations of plumbagin compared to control group. The findings described herein demonstrate that the heterologous expression of a predicted promoter site of pqi genes of C. violaceum is induced by plumbagin in a fusion strain, giving insights into the functional characterization of intrinsic regulatory DNA motifs annotated in this bacterial genome.

  7. 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.

  8. Metastatic Tumours to the Oral Cavity: Report of Three Cases

    Directory of Open Access Journals (Sweden)

    Ioanna G. Kalaitsidou

    2015-12-01

    Full Text Available Background: Metastatic tumours to the oral cavity from distant organs are uncommon and represent approximately 1 - 3% of all oral malignancies. Such metastases can occur to the bone or to the oral soft tissues. Almost any malignancy from any site is capable of metastasis to the oral cavity and a wide variety of tumours have been reported to spread to the mouth. Methods: Careful examination of the oral cavity and a high degree of clinical suspicion as well as a multidisciplinary approach are suggested. Results: In this article we present three patients, a female and two males with metastatic tumours to the oral cavity, who were referred to our Department. The primary tumours were invasive lobular breast carcinoma, gastric adenocarcinoma and small cell lung carcinoma respectively. Conclusions: Metastases to the oral cavity are quite uncommon among population. They usually present with symptoms similar to odontogenic infections and benign tumours, causing a delayed diagnosis and treatment.

  9. Active site studies of bovine alpha1-->3-galactosyltransferase and its secondary structure prediction.

    Science.gov (United States)

    Shah, P S; Bizik, F; Dukor, R K; Qasba, P K

    2000-07-14

    The catalytic domain of bovine alpha1-->3-galactosyltransferase (alpha3GalT), residues 80-368, have been cloned and expressed, in Escherichia coli. Using a sequential purification protocol involving a Ni(2+) affinity column followed by a UDP-hexanolamine affinity column, we have obtained a pure and active protein from the soluble fraction which catalyzes the transfer of galactose (Gal) from UDP-Gal to N-acetyllactosamine (LacNAc) with a specific activity of 0.69 pmol/min/ng. The secondary structural content of alpha3GalT protein was analyzed by Fourier transform infrared (FTIR) spectroscopy, which shows that the enzyme has about 35% beta-sheet and 22% alpha-helix. This predicted secondary structure content by FTIR spectroscopy was used in the protein sequence analysis algorithm, developed by the Biomolecular Engineering Research Center at Boston University and Tasc Inc., for the assignment of secondary structural elements to the amino acid sequence of alpha3GalT. The enzyme appears to have three major and three minor helices and five sheet-like structures. The studies on the acceptor substrate specificity of the enzyme, alpha3GalT, show that in addition to LacNAc, which is the natural substrate, the enzyme accepts various other disaccharides as substrates such as lactose and Gal derivatives, beta-O-methylgalactose and beta-D-thiogalactopyranoside, albeit with lower specific activities. There is an absolute requirement for Gal to be at the non-reducing end of the acceptor molecule which has to be beta1-->4-linked to a second residue that can be more diverse in structure. The kinetic parameters for four acceptor molecules were determined. Lactose binds and functions in a similar way as LacNAc. However, beta-O-methylgalactose and Gal do not bind as tightly as LacNAc or lactose, as their K(ia) and K(A) values indicate, suggesting that the second monosaccharide is critical for holding the acceptor molecule in place. The 2' and 4' hydroxyl groups of the receiving Gal

  10. Prediction of earthquake ground motion at rock sites in Japan: evaluation of empirical and stochastic approaches for the PEGASOS Refinement Project

    Science.gov (United States)

    Edwards, Benjamin; Fäh, Donat

    2017-11-01

    Strong ground-motion databases used to develop ground-motion prediction equations (GMPEs) and calibrate stochastic simulation models generally include relatively few recordings on what can be considered as engineering rock or hard rock. Ground-motion predictions for such sites are therefore susceptible to uncertainty and bias, which can then propagate into site-specific hazard and risk estimates. In order to explore this issue we present a study investigating the prediction of ground motion at rock sites in Japan, where a wide range of recording-site types (from soil to very hard rock) are available for analysis. We employ two approaches: empirical GMPEs and stochastic simulations. The study is undertaken in the context of the PEGASOS Refinement Project (PRP), a Senior Seismic Hazard Analysis Committee (SSHAC) Level 4 probabilistic seismic hazard analysis of Swiss nuclear power plants, commissioned by swissnuclear and running from 2008 to 2013. In order to reduce the impact of site-to-site variability and expand the available data set for rock and hard-rock sites we adjusted Japanese ground-motion data (recorded at sites with 110 m s-1 800 m s-1) was found to be comparable (within expected levels of epistemic uncertainty) to predictions using an empirical GMPE, with reduced residual misfit. As expected, due to including site-specific information in the simulations, the reduction in misfit could be isolated to a reduction in the site-related within-event uncertainty. The results of this study support the use of finite or pseudo-finite fault stochastic simulation methods in estimating strong ground motions in regions of weak and moderate seismicity, such as central and northern Europe. Furthermore, it indicates that weak-motion data has the potential to allow estimation of between- and within-site variability in ground motion, which is a critical issue in site-specific seismic hazard analysis, particularly for safety critical structures.

  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. 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.

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

    Science.gov (United States)

    Hristov, Y.; Oxley, G.; Žagar, M.

    2014-06-01

    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-epsilon 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. 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.

  15. 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.

  16. Tree structure and cavity microclimate: implications for bats and birds.

    Science.gov (United States)

    Clement, Matthew J; Castleberry, Steven B

    2013-05-01

    It is widely assumed that tree cavity structure and microclimate affect cavity selection and use in cavity-dwelling bats and birds. Despite the interest in tree structure and microclimate, the relationship between the two has rarely been quantified. Currently available data often comes from artificial structures that may not accurately represent conditions in natural cavities. We collected data on tree cavity structure and microclimate from 45 trees in five cypress-gum swamps in the Coastal Plain of Georgia in the United States in 2008. We used hierarchical linear models to predict cavity microclimate from tree structure and ambient temperature and humidity, and used Aikaike's information criterion to select the most parsimonious models. We found large differences in microclimate among trees, but tree structure variables explained 80% of variation common to all trees. We argue that the determinants of microclimate are complex and multidimensional, and therefore cavity microclimate cannot be deduced easily from simple tree structures. Furthermore, we found that daily fluctuations in ambient conditions strongly affect microclimate, indicating that greater weather fluctuations will cause greater differences among tree cavities.

  17. 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/.

  18. 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

  19. 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 at......'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.......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...

  20. 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.

  1. Development of large grain cavities

    Directory of Open Access Journals (Sweden)

    W. Singer

    2013-01-01

    Full Text Available DESY activities on 1.3 GHz tesla shape single cell and nine-cell large grain (LG resonators are presented; results of the past five years are covered. The R&D program explores the potential for production of elliptical superconducting cavities. The main efforts have been devoted to material investigation, development of LG disk production, cavity fabrication from this material, and a search for appropriate treatment. More than 250 LG disks are manufactured; several single cell and 11 nine-cell resonators are produced and rf tested after buffered chemical polishing and after additional electropolishing. A maximum accelerating gradient of approximately 45  MV/m for this type of cavity was achieved in two resonators. Two of the LG cavities have been installed and are currently being used in the FLASH accelerator operation. Assembly of a cryomodule, consisting of LG cavities only, is in the works. Perspectives of the LG cavity application are discussed.

  2. Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities.

    Directory of Open Access Journals (Sweden)

    Sarah Barelier

    Full Text Available A key challenge in structure-based discovery is accounting for modulation of protein-ligand interactions by ordered and bulk solvent. To investigate this, we compared ligand binding to a buried cavity in Cytochrome c Peroxidase (CcP, where affinity is dominated by a single ionic interaction, versus a cavity variant partly opened to solvent by loop deletion. This opening had unexpected effects on ligand orientation, affinity, and ordered water structure. Some ligands lost over ten-fold in affinity and reoriented in the cavity, while others retained their geometries, formed new interactions with water networks, and improved affinity. To test our ability to discover new ligands against this opened site prospectively, a 534,000 fragment library was docked against the open cavity using two models of ligand solvation. Using an older solvation model that prioritized many neutral molecules, three such uncharged docking hits were tested, none of which was observed to bind; these molecules were not highly ranked by the new, context-dependent solvation score. Using this new method, another 15 highly-ranked molecules were tested for binding. In contrast to the previous result, 14 of these bound detectably, with affinities ranging from 8 µM to 2 mM. In crystal structures, four of these new ligands superposed well with the docking predictions but two did not, reflecting unanticipated interactions with newly ordered waters molecules. Comparing recognition between this open cavity and its buried analog begins to isolate the roles of ordered solvent in a system that lends itself readily to prospective testing and that may be broadly useful to the community.

  3. The influence of soil organic matter chemistry and site/soil properties in predicting the decomposability of tundra soils

    Science.gov (United States)

    Matamala, R.; Jastrow, J. D.; Fan, Z.; Liang, C.; Calderon, F.; Michaelson, G.; Mishra, U.; Ping, C. L.

    2017-12-01

    With the increase in high latitude warming, there is a need to better understand the potential vulnerability of soil organic matter (SOM) stored in Arctic regions. In this study, we used mid infrared spectroscopy (MidIR) to determine the influence of soil chemistry and site properties in the short-term mineralization potential of SOM stored in tundra soils. Soils from the active and permafrost layers were collected from four tundra sites on the Coastal Plain, and Arctic Foothills of the North Slope of Alaska and were incubated for 60 days at a range of temperatures. Site and soil properties including acidic versus non-acidic tundra, lowland versus upland areas, total soil organic carbon (TOC) and total nitrogen (TN) concentrations, 60-day carbon mineralization potential (CMP), MidIR spectra and the chemical composition of the SOM stored in these soils were determined. Partial least squares (PLS) models for CMP versus MidIR spectra were produced upon splitting the dataset into site and soil properties categories. We found that SOM composition determined by MidIR spectroscopy was most effective in predicting CMP for tundra soils and it was most relevant for the active-layer mineral and upper permafrost soil horizons and/or soils with C concentrations of 10% or lower. Analysis of the factor loadings and standardized beta coefficients from the CMP PLS models indicated that spectral bands associated with clay contents, phenolic OH, aliphatic, silicates, carboxylic acids, and polysaccharides were influential for lower TOC soils, but these bands were less important for higher TOC soils. High TOC soils were influenced by a combination of other factors. Our results suggest that different factors affect the short-term CMP of SOM in tundra soils depending on the amount of TOC present. We show MidIR as a powerful tool for quickly and reasonably estimating the short-term CMP of tundra soils. Widespread application of MidIR measurements to already collected and archived tundra

  4. Electrodynamical Light Trapping Using Whispering-Gallery Resonances in Hyperbolic Cavities

    Directory of Open Access Journals (Sweden)

    Chihhui Wu

    2014-04-01

    Full Text Available We theoretically study spherical cavities composed of hyperbolic metamaterials with indefinite permittivity tensors. Such cavities are capable of electrodynamically confining fields with deep subwavelength cavity sizes. The supported resonant modes are analogous to the whispering-gallery modes found in dielectric microcavities with much larger physical sizes. Because of the nature of electrodynamical confinement, these hyperbolic metamaterial cavities exhibit quality factors higher than predicted in the electrostatic limit. In addition, confining electromagnetic fields into the small cavities results in an extremely high photonic local density of states.

  5. MEDICI reactor cavity model

    International Nuclear Information System (INIS)

    Bergeron, K.D.; Trebilcock, W.

    1983-01-01

    The MEDICI reactor cavity model is currently under development with the goal of providing a flexible, relatively realistic treatment of ex-vessel severe accident phenomena suitable for large-system codes like CONTAIN and MELCOR. The code is being developed with an emphasis on top-down design, to facilitate adaptability and multiple applications. A brief description of the overall code structure is provided. One of the key new models is then described in more detail. This is a dynamic quench model for debris beds. An example calculation using this model is presented. The question of whether it is necessary to consider the simultaneous motion of the quench front and ablation of the concrete is addressed with some scoping models

  6. Can clinical signs, clinicopathological findings and abdominal ultrasonography predict the site of histopathological abnormalities of the alimentary tract in cats?

    Science.gov (United States)

    Freiche, Valerie; Faucher, Mathieu R; German, Alexander J

    2016-02-01

    predict from which organs biopsies should be collected. Arguably, therefore, exploratory coeliotomy is necessary to determine the site of histopathological abnormalities in feline alimentary tract disorders. © ISFM and AAFP 2015.

  7. 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.

  8. 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

  9. 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

  10. Superconducting cavity model for LEP

    CERN Document Server

    CERN PhotoLab

    1979-01-01

    A superconducting cavity model is being prepared for testing in a vertical cryostat.At the top of the assembly jig is H.Preis while A.Scharding adjusts some diagnostic equipment to the cavity. See also photo 7912501X.

  11. Superconducting Storage Cavity for RHIC

    Energy Technology Data Exchange (ETDEWEB)

    Ben-Zvi,I.

    2009-01-02

    This document provides a top-level description of a superconducting cavity designed to store hadron beams in the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory. It refers to more detailed documents covering the various issues in designing, constructing and operating this cavity. The superconducting storage cavity is designed to operate at a harmonic of the bunch frequency of RHIC at a relatively low frequency of 56 MHz. The current storage cavities of RHIC operate at 197 MHz and are normal-conducting. The use of a superconducting cavity allows for a high gap voltage, over 2 MV. The combination of a high voltage and low frequency provides various advantages stemming from the resulting large longitudinal acceptance bucket.

  12. Mechanical Properties of Niobium Cavities

    Energy Technology Data Exchange (ETDEWEB)

    Ciovati, Gianluigi [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Dhakal, Pashupati [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Matalevich, Joseph R. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Myneni, Ganapati Rao [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)

    2015-09-01

    The mechanical stability of bulk Nb cavity is an important aspect to be considered in relation to cavity material, geometry and treatments. Mechanical properties of Nb are typically obtained from uniaxial tensile tests of small samples. In this contribution we report the results of measurements of the resonant frequency and local strain along the contour of single-cell cavities made of ingot and fine-grain Nb of different purity subjected to increasing uniform differential pressure, up to 6 atm. Measurements have been done on cavities subjected to different heat treatments. Good agreement between finite element analysis simulations and experimental data in the elastic regime was obtained with a single set of values of Young’s modulus and Poisson’s ratio. The experimental results indicate that the yield strength of medium-purity ingot Nb cavities is higher than that of fine-grain, high-purity Nb.

  13. eF-seek: prediction of the functional sites of proteins by searching for similar electrostatic potential and molecular surface shape

    OpenAIRE

    Kinoshita, Kengo; Murakami, Yoichi; Nakamura, Haruki

    2007-01-01

    We have developed a method to predict ligand-binding sites in a new protein structure by searching for similar binding sites in the Protein Data Bank (PDB). The similarities are measured according to the shapes of the molecular surfaces and their electrostatic potentials. A new web server, eF-seek, provides an interface to our search method. It simply requires a coordinate file in the PDB format, and generates a prediction result as a virtual complex structure, with the putative ligands in a ...

  14. Nutritional risk index as an independent predictive factor for the development of surgical site infection after pancreaticoduodenectomy.

    Science.gov (United States)

    Shinkawa, Hiroji; Takemura, Shigekazu; Uenishi, Takahiro; Sakae, Masayuki; Ohata, Kazunori; Urata, Yorihisa; Kaneda, Kazuhisa; Nozawa, Akinori; Kubo, Shoji

    2013-03-01

    Malnutrition has been considered a risk factor for the development of a surgical site infection (SSI). The aim of this study was to determine the relationship between preoperative nutritional screening scores and the development of SSI after pancreaticoduodenectomy. We examined 64 patients who had undergone pancreaticoduodenectomy. Their clinical data, nutritional risk index (NRI), and nutritional risk screening 2002 (NRS-2002) score were recorded. SSIs were diagnosed according to the definitions of wound infection established by the Center for Disease Control and Prevention and were confirmed by a microbiological examination. Data were analyzed using the Fisher exact probability method and a multivariate logistic regression analysis. SSIs developed in 21 patients (33 %). Eleven patients had wound infections, and 14 patients had an intra-abdominal abscess. A univariate analysis of perioperative factors revealed that a pancreatic fistula, the NRS-2002, and the NRI were significantly associated with the development of SSI (p NRI were independent risk factors for SSI. By analyzing the pre- and intra-operative factors after excluding the 11 patients with pancreatic fistulas, the NRI was still an independent risk factor for SSI. The present study showed the NRI to be an independent factor for predicting the risk of SSI after pancreaticoduodenectomy.

  15. Evaluation of Cavity Collapse and Surface Crater Formation at the Norbo Underground Nuclear Test in U8c, Nevada Nuclear Security Site, and the Impact on Stability of the Ground Surface

    Energy Technology Data Exchange (ETDEWEB)

    Pawloski, G A

    2012-06-18

    Lawrence Livermore National Laboratory (LLNL) Containment Program performed a review of nuclear test-related data for the Norbo underground nuclear test in U8c to assist in evaluating this legacy site as a test bed for application technologies for use in On-Site Inspections (OSI) under the Comprehensive Nuclear Test Ban Treaty. This request is similar to one made for the Salut site in U8c (Pawloski, 2012b). Review of the Norbo site is complicated because the test first exhibited subsurface collapse, which was not unusual, but it then collapsed to the surface over one year later, which was unusual. Of particular interest is the stability of the ground surface above the Norbo detonation point. Proposed methods for on-site verification include radiological signatures, artifacts from nuclear testing activities, and imaging to identify alteration to the subsurface hydrogeology due to the nuclear detonation. Aviva Sussman from the Los Alamos National Laboratory (LANL) has also proposed work at this site. Both proposals require physical access at or near the ground surface of specific underground nuclear test locations at the Nevada Nuclear Security Site (NNSS), formerly the Nevada Test Site (NTS), and focus on possible activities such as visual observation, multispectral measurements, and shallow and deep geophysical surveys.

  16. Changeability of oral cavity environment.

    Science.gov (United States)

    Surdacka, Anna; Strzyka A, Krystyna; Rydzewska, Anna

    2007-01-01

    In dentistry, the results of in vivo studies on drugs, dental fillings or prostheses are routinely evaluated based on selected oral cavity environment parameters at specific time points. Such evaluation may be confounded by ongoing changes in the oral cavity environment induced by diet, drug use, stress and other factors. The study aimed to confirm oral cavity environment changeability. 24 healthy individuals aged 20-30 had their oral cavity environment prepared by having professional hygiene procedures performed and caries lesions filled. Baseline examination and the examination two years afterwards, evaluated clinical and laboratory parameters of oral cavity environment. Caries incidence was determined based on DMFT and DMFS values, oral cavity hygiene on Plaque Index (acc. Silness & Loe) and Hygiene Index (acc. O'Leary), and the gingival status on Gingival Index (acc. Loe & Silness) and Gingival Bleeding Index (acc. Ainamo & Bay). Saliva osmolarity, pH and concentrations of Ca(2+), Pi, Na(+), Cl(-), total protein, albumins, F(-) and Sr(2+) were determined. The results confirmed ongoing changeability of the oral cavity environment. After 2 years of the study reduction in oral cavity hygiene parameters PLI and HI (P<0.1), and gingival indices as well as lower saliva concentration of Ca(2+) (P<.001), Pi (P<.06), K(+) (P<.04), Sr(2+) (P<.03), Na(+) (P<.1), against the baseline values, were observed. Total protein and albumin saliva concentrations were also significantly lower. Physiological oral cavity environment is subject to constant, individually different, changes which should be considered when analysing studies that employ oral cavity environment parameters.

  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.; 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.,

  18. Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by p450s.

    Science.gov (United States)

    Campagna-Slater, Valérie; Pottel, Joshua; Therrien, Eric; Cantin, Louis-David; Moitessier, Nicolas

    2012-09-24

    The metabolism of xenobiotics--and more specifically drugs--in the liver is a critical process controlling their half-life. Although there exist experimental methods, which measure the metabolic stability of xenobiotics and identify their metabolites, developing higher throughput predictive methods is an avenue of research. It is expected that predicting the chemical nature of the metabolites would be an asset for designing safer drugs and/or drugs with modulated half-lives. We have developed IMPACTS (In-silico Metabolism Prediction by Activated Cytochromes and Transition States), a computational tool combining docking to metabolic enzymes, transition state modeling, and rule-based substrate reactivity prediction to predict the site of metabolism (SoM) of xenobiotics. Its application to sets of CYP1A2, CYP2C9, CYP2D6, and CYP3A4 substrates and comparison to experts' predictions demonstrates its accuracy and significance. IMPACTS identified an experimentally observed SoM in the top 2 predicted sites for 77% of the substrates, while the accuracy of biotransformation experts' prediction was 65%. Application of IMPACTS to external sets and comparison of its accuracy to those of eleven other methods further validated the method implemented in IMPACTS.

  19. Synthetic topological Kondo insulator in a pumped optical cavity

    Science.gov (United States)

    Zheng, Zhen; Zou, Xu-Bo; Guo, Guang-Can

    2018-02-01

    Motivated by experimental advances on ultracold atoms coupled to a pumped optical cavity, we propose a scheme for synthesizing and observing the Kondo insulator in Fermi gases trapped in optical lattices. The synthetic Kondo phase arises from the screening of localized atoms coupled to mobile ones, which in our proposal is generated via the pumping laser as well as the cavity. By designing the atom–cavity coupling, it can engineer a nearest-neighbor-site Kondo coupling that plays an essential role for supporting topological Kondo phase. Therefore, the cavity-induced Kondo transition is associated with a nontrivial topological features, resulting in the coexistence of the superradiant and topological Kondo state. Our proposal can be realized with current technique, and thus has potential applications in quantum simulation of the topological Kondo insulator in ultracold atoms.

  20. Dental Sealants Prevent Cavities

    Science.gov (United States)

    ... FAQs CDC SEALS Software CDC State Strategies: Preventing Tooth Decay CDC Oral Health Data Other Sites MedlinePlus – Child Dental Health MedlinePlus – Tooth Decay American Dental Association – Evidence-based clinical practice guideline ...

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. Call for Papers: Cavity QED

    Science.gov (United States)

    Lange, W.; Gerard, J.-M.

    2003-06-01

    Cavity QED interactions of light and matter have been investigated in a wide range of systems covering the spectrum from microwaves to optical frequencies, using media as diverse as single atoms and semiconductors. Impressive progress has been achieved technologically as well as conceptually. This topical issue of Journal of Optics B: Quantum and Semiclassical Optics is intended to provide a comprehensive account of the current state of the art of cavity QED by uniting contributions from researchers active across this field. As Guest Editors of this topical issue, we invite manuscripts on current theoretical and experimental work on any aspects of cavity QED. The topics to be covered will include, but are not limited to: bulletCavity QED in optical microcavities bulletSemiconductor cavity QED bulletQuantum dot cavity QED bulletRydberg atoms in microwave cavities bulletPhotonic crystal cavity QED bulletMicrosphere resonators bulletMicrolasers and micromasers bulletMicrodroplets bulletDielectric cavity QED bulletCavity QED-based quantum information processing bulletQuantum state engineering in cavities The DEADLINE for submission of contributions is 31 July 2003 to allow the topical issue to appear in about February 2004. All papers will be peer-reviewed in accordance with the normal refereeing procedures and standards of Journal of Optics B: Quantum and Semiclassical Optics. Advice on publishing your work in the journal may be found at www.iop.org/journals/authors/jopb. Submissions should ideally be in either standard LaTeX form or Microsoft Word. There are no page charges for publication. In addition to the usual 50 free reprints, the corresponding author of each paper published will receive a complimentary copy of the topical issue. Contributions to the topical issue should if possible be submitted electronically at www.iop.org/journals/jopb. or by e-mail to jopb@iop.org. Authors unable to submit online or by e-mail may send hard copy contributions (enclosing the

  6. Dissection of the water cavity of yeast thioredoxin 1: the effect of a hydrophobic residue in the cavity.

    Science.gov (United States)

    Iqbal, Anwar; Gomes-Neto, Francisco; Myiamoto, Catarina Akiko; Valente, Ana Paula; Almeida, Fabio C L

    2015-04-21

    The water cavity of yeast thioredoxin 1 (yTrx1) is an ancestral, conserved structural element that is poorly understood. We recently demonstrated that the water cavity is involved in the complex protein dynamics that are responsible for the catalytically relevant event of coupling hydration, proton exchange, and motion at the interacting loops. Its main feature is the presence of the conserved polar residue, Asp24, which is buried in a hydrophobic cavity. Here, we evaluated the role of the solvation of Asp24 as the main element that is responsible for the formation of the water cavity in thioredoxins. We showed that the substitution of Asp24 with a hydrophobic residue (D24A) was not sufficient to completely close the cavity. The dynamics of the D24A mutant of yTrx1 at multiple time scales revealed that the D24A mutant presents motions at different time scales near the active site, interaction loops, and water cavity, revealing the existence of a smaller dissected cavity. Molecular dynamics simulation, along with experimental molecular dynamics, allowed a detailed description of the water cavity in wild-type yTrx1 and D24A. The cavity connects the interacting loops, the central β-sheet, and α-helices 2 and 4. It is formed by three contiguous lobes, which we call lobes A-C. Lobe A is hydrophilic and the most superficial. It is formed primarily by the conserved Lys54. Lobe B is the central lobe formed by the catalytically important residues Cys33 and Asp24, which are strategically positioned. Lobe C is the most hydrophobic and is formed by the conserved cis-Pro73. The central lobe B is closed upon introduction of the D24A mutation, revealing that independent forces other than solvation of Asp24 maintain lobes A and C in the open configuration. These data allow us to better understand the properties of this enzyme.

  7. Predikin and PredikinDB: a computational framework for the prediction of protein kinase peptide specificity and an associated database of phosphorylation sites

    Directory of Open Access Journals (Sweden)

    Kemp Bruce E

    2008-05-01

    Full Text Available Abstract Background We have previously described an approach to predicting the substrate specificity of serine-threonine protein kinases. The method, named Predikin, identifies key conserved substrate-determining residues in the kinase catalytic domain that contact the substrate in the region of the phosphorylation site and so determine the sequence surrounding the phosphorylation site. Predikin was implemented originally as a web application written in Javascript. Results Here, we describe a new version of Predikin, completely revised and rewritten as a modular framework that provides multiple enhancements compared with the original. Predikin now consists of two components: (i PredikinDB, a database of phosphorylation sites that links substrates to kinase sequences and (ii a Perl module, which provides methods to classify protein kinases, reliably identify substrate-determining residues, generate scoring matrices and score putative phosphorylation sites in query sequences. The performance of Predikin as measured using receiver operator characteristic (ROC graph analysis equals or surpasses that of existing comparable methods. The Predikin website has been redesigned to incorporate the new features. Conclusion New features in Predikin include the use of SQL queries to PredikinDB to generate predictions, scoring of predictions, more reliable identification of substrate-determining residues and putative phosphorylation sites, extended options to handle protein kinase and substrate data and an improved web interface. The new features significantly enhance the ability of Predikin to analyse protein kinases and their substrates. Predikin is available at http://predikin.biosci.uq.edu.au.

  8. Density Operator Description of Atomic Ordered Spatial Modes in Cavity QED

    OpenAIRE

    Fang, Zhen; Yang, Baoguo; Chen, Xuzong; Zhou, Xiaoji

    2013-01-01

    We present a quantum Monte-Carlo simulation for a pumped atom in a strong coupling cavity with dissipation, where two ordered spatial modes are formed for the atomic probability density, with the peaks distributed either only in the odd sites or only in the even ones of the lattice formed by the cavity field. A mixed state density operator model, which describes the coupling between different atomic spatial modes and the corresponding cavity field components, is proposed, which goes beyond th...

  9. Wave Dynamical Chaos in Superconducting Microwave Cavities

    CERN Document Server

    Rehfeld, H; Dembowski, C; Gräf, H D; Hofferbert, R; Richter, A; Lengeler, Herbert

    1997-01-01

    During the last few years we have studied the chaotic behavior of special Euclidian geometries, so-called billiards, from the quantum or in more general sense "wave dynamical" point of view. Due to the equivalence between the stationary Schroedinger equation and the classical Helmholtz equation in the two-dimensional case (plain billiards), it is possible to simulate "quantum chaos" with the help of macroscopic, superconducting microwave cavities. Using this technique we investigated spectra of three billiards from the family of Pascal's Snails (Robnik-Billiards) with a different chaoticity in each case in order to test predictions of standard stochastical models for classical chaotic systems.

  10. 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.

  11. 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.

  12. 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...

  13. 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...

  14. 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

    2018-02-02

    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.

  15. 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

  16. Sterility of the uterine cavity

    DEFF Research Database (Denmark)

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

    1995-01-01

    In a prospective open study the sterility of the uterine cavity was evaluated in 99 women admitted for hysterectomy. The indications for hysterectomy were in most cases persistent irregular vaginal bleeding and fibromyomas of the uterus. Samples for both aerobic and anaerobic bacteria, Chlamydia ...... which may play a causative role in endometritis. The results indicate that inflammation of the uterine cavity should be evaluated by hysteroscopic examination before hysterectomy is undertaken in patients with persistent irregular vaginal bleeding. Udgivelsesdato: 1995-Mar...

  17. 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.

  18. 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.

  19. Report on the use of stability parameters and mesoscale modelling in short-term prediction[Wind speed at wind farm sites

    Energy Technology Data Exchange (ETDEWEB)

    Badger, J.; Giebel, G.; Guo Larsen, X.; Skov Nielsen, T.; Aalborg Nielsen, H.; Madsen, Henrik; Toefting, J.

    2007-06-15

    In this report investigations using atmospheric stability measures to improve wind speed predictions at wind farm sites are described. Various stability measures have been calculated based on numerical weather prediction model output. Their ability to improve the wind speed predictions is assessed at three locations. One of the locations is in complex terrain. Mesoscale modelling has been carried out using KAMM at this location. The characteristics of the measured winds are captured well by the mesoscale modelling. It can be seen that the atmospheric stability plays an important role in determining how the flow is influence by the terrain. A prediction system employing a look-up table approach based on wind class simulations is presented. The mesoscale modelling results produced by KAMM were validated using an alternative mesoscale model called WRF. A good agreement in the results of KAMM and WRF was found. It is shown that including a stability parameter in physical and/or statistical modelling can improve the wind speed predictions at a wind farm site. A concept for the inclusion of a stability measure in the WPPT prediction system is presented, and the testing of the concept is outlined. (au)

  20. Evaluation of pier-scour measurement methods and pier-scour predictions with observed scour measurements at selected bridge sites in New Hampshire, 1995-98

    Science.gov (United States)

    Boehmler, Erick M.; Olimpio, Joseph R.

    2000-01-01

    In a previous study, 44 of 48 bridge sites examined in New Hampshire were categorized as scour critical. In this study, the U.S. Geological Survey (USGS) evaluated pier-scour measurement methods and predictions at many of these sites. This evaluation included measurement of pier-scour depths at 20 bridge sites using Ground- Penetrating Radar (GPR) surveys. Pier scour was also measured during floods by teams at 5 of these 20 sites. At 4 of the 20 sites, fixed instruments were installed to monitor scour. At only one bridge site investigated by a team was any pier scour measurable during a flood event. A scour depth of 0.7 foot (0.21 m) was measured at a pier in the channel at the State Route 18 bridge over the Connecticut River in Littleton. Measurements made using GPR and (or) fixed instruments indicated pier scour for six sites. The GPR surveys indicated scour along the side of a pier and further upstream from the nose of a pier that was not detected by flood-team measurements at two sites. Most pier-scour equations selected for this examination were reviewed and published in previous scour investigations. Graphical comparison of residual pier-scour depths indicate that the Shen equation yielded pier-scour depth predictions closest to those measured, without underestimating. Measured depths of scour, however, were zero feet for 14 of the 20 sites. For the Blench-Inglis II equation and the Simplified Chinese equation, most differences between measured and predicted scour depths were within 5 feet. These two equations underpredicted scour for one of six sites with measurable scour. The underprediction, however, was within the resolution of the depth measurements. The Simplified Chinese equation is less sensitive than other equations to velocity and depth input variables, and is one of the few empirical equations to integrate the influence of flow competence, or a measure of the maximum streambed particle size that a stream is capable of transporting, in the

  1. 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

  2. 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.

  3. Site-specific seismic-hazard maps and deaggregation in the western United States using the NGA models for ground-motion prediction

    Science.gov (United States)

    Harmsen, Stephen

    2011-01-01

    The 2008 National Seismic Hazard Mapping Project (NSHMP) update for the conterminous United States employs several new ground-motion prediction equations which include modern empirical models of linear and nonlinear site response to local and regional earthquakes. The recent availability of attenuation functions incorporating site conditions via Vs30 values permits the calculation of site-specific hazard maps for a wide range of spectral accelerations. I compare alternative site specific hazard maps using Vs30 values estimated according to the methods of Wills and Clahan (2006), Wald and Allen (2007), and Yong and others (in press). These maps are presented for 5-hertz (Hz) and 3-second spectral accelerations having 2 percent probability of exceedance in 50 years for central California and the western part of southern California.

  4. 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

  5. Development of a regression model to predict copper toxicity to Daphnia magna and site-specific copper criteria across multiple surface-water drainages in an arid landscape.

    Science.gov (United States)

    Fulton, Barry A; Meyer, Joseph S

    2014-08-01

    The water effect ratio (WER) procedure developed by the US Environmental Protection Agency is commonly used to derive site-specific criteria for point-source metal discharges into perennial waters. However, experience is limited with this method in the ephemeral and intermittent systems typical of arid climates. The present study presents a regression model to develop WER-based site-specific criteria for a network of ephemeral and intermittent streams influenced by nonpoint sources of Cu in the southwestern United States. Acute (48-h) Cu toxicity tests were performed concurrently with Daphnia magna in site water samples and hardness-matched laboratory waters. Median effect concentrations (EC50s) for Cu in site water samples (n=17) varied by more than 12-fold, and the range of calculated WER values was similar. Statistically significant (α=0.05) univariate predictors of site-specific Cu toxicity included (in sequence of decreasing significance) dissolved organic carbon (DOC), hardness/alkalinity ratio, alkalinity, K, and total dissolved solids. A multiple-regression model developed from a combination of DOC and alkalinity explained 85% of the toxicity variability in site water samples, providing a strong predictive tool that can be used in the WER framework when site-specific criteria values are derived. The biotic ligand model (BLM) underpredicted toxicity in site waters by more than 2-fold. Adjustments to the default BLM parameters improved the model's performance but did not provide a better predictive tool compared with the regression model developed from DOC and alkalinity. © 2014 SETAC.

  6. 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.

  7. 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.

  8. 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.

  9. 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 ...

  10. 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

  11. 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.

  12. Effective transcription factor binding site prediction using a combination of optimization, a genetic algorithm and discriminant analysis to capture distant interactions.

    Science.gov (United States)

    Levitsky, Victor G; Ignatieva, Elena V; Ananko, Elena A; Turnaev, Igor I; Merkulova, Tatyana I; Kolchanov, Nikolay A; Hodgman, T C

    2007-12-19

    Reliable transcription factor binding site (TFBS) prediction methods are essential for computer annotation of large amount of genome sequence data. However, current methods to predict TFBSs are hampered by the high false-positive rates that occur when only sequence conservation at the core binding-sites is considered. To improve this situation, we have quantified the performance of several Position Weight Matrix (PWM) algorithms, using exhaustive approaches to find their optimal length and position. We applied these approaches to bio-medically important TFBSs involved in the regulation of cell growth and proliferation as well as in inflammatory, immune, and antiviral responses (NF-kappaB, ISGF3, IRF1, STAT1), obesity and lipid metabolism (PPAR, SREBP, HNF4), regulation of the steroidogenic (SF-1) and cell cycle (E2F) genes expression. We have also gained extra specificity using a method, entitled SiteGA, which takes into account structural interactions within TFBS core and flanking regions, using a genetic algorithm (GA) with a discriminant function of locally positioned dinucleotide (LPD) frequencies. To ensure a higher confidence in our approach, we applied resampling-jackknife and bootstrap tests for the comparison, it appears that, optimized PWM and SiteGA have shown similar recognition performances. Then we applied SiteGA and optimized PWMs (both separately and together) to sequences in the Eukaryotic Promoter Database (EPD). The resulting SiteGA recognition models can now be used to search sequences for BSs using the web tool, SiteGA. Analysis of dependencies between close and distant LPDs revealed by SiteGA models has shown that the most significant correlations are between close LPDs, and are generally located in the core (footprint) region. A greater number of less significant correlations are mainly between distant LPDs, which spanned both core and flanking regions. When SiteGA and optimized PWM models were applied together, this substantially reduced

  13. 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

  14. 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 of e...

  15. 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...

  16. Prediction of antigenic sites on ALS1 and HWP1 protein sequences in vaginal isolated C. albicans of using bioinformatics analysis

    Directory of Open Access Journals (Sweden)

    Mona Pakdel

    2015-04-01

    Full Text Available Background and Aim: The ability to predict antigenic sites on proteins is of major importance for medication. The aim of this study was to predict the antigenic sites on Agglutin in Like Sequence (ALS1 and Hyphal Wall Protein Sequences (HWP1 in Candida albicans isolated of vaginal infections using Physico-Chemical Profiles server. Materials and Methods: 7 isolates were obtained from women with vaginal infection which were collected from various medical centers of Tehran in 2011 and 2012. At the first,DNA was extracted  by Phenol-Chloroform method. Multiplex PCR was performed by using specific primers. In order to do bioinformatic studies, the genes were sequenced and then translated. Antigenic sites of protein sequences were identified by Physico-Chemical Profiles program. Results: The results showed that the presence of two genes als1 and hwp1 in isolates. In ALS1 and HWP1, respectively 2 and 1 antigenic site with the most antigenicity were identified. Conclusions: According to previous studies, Serine and Threonine phosphorylation is an important mechanism in pathogenesis of ALS1 and HWP1 proteins. Results in this study showed that serine and threonine are the most amino acids in the antigenic sites with high antigenicity property.

  17. Apply Woods Model in the Predictions of Ambient Air Particles and Metallic Elements (Mn, Fe, Zn, Cr, and Cu at Industrial, Suburban/Coastal, and Residential Sampling Sites

    Directory of Open Access Journals (Sweden)

    Guor-Cheng Fang

    2012-01-01

    Full Text Available The main purpose for this study was to monitor ambient air particles and metallic elements (Mn, Fe, Zn, Cr, and Cu in total suspended particulates (TSPs concentration, dry deposition at three characteristic sampling sites of central Taiwan. Additionally, the calculated/measured dry deposition flux ratios of ambient air particles and metallic elements were calculated with Woods models at these three characteristic sampling sites during years of 2009-2010. As for ambient air particles, the results indicated that the Woods model generated the most accurate dry deposition prediction results when particle size was 18 μm in this study. The results also indicated that the Woods model exhibited better dry deposition prediction performance when the particle size was greater than 10 μm for the ambient air metallic elements in this study. Finally, as for Quan-xing sampling site, the main sources were many industrial factories under process around these regions and were severely polluted areas. In addition, the highest average dry deposition for Mn, Fe, Zn, and Cu species occurred at Bei-shi sampling site, and the main sources were the nearby science park, fossil fuel combustion, and Taichung thermal power plant (TTPP. Additionally, as for He-mei sampling site, the main sources were subjected to traffic mobile emissions.

  18. 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.

  19. Engineering interactions between long-lived cavities

    Science.gov (United States)

    Gao, Yvonne; Rosenblum, Serge; Reinhold, Philip; Wang, Chen; Axline, Christopher; Frunzio, Luigi; Girvin, Steven M.; Jiang, Liang; Mirrahimi, Mazyar; Devoret, Michel H.; Schoelkopf, Robert J.

    The availability of large Hilbert dimensions and outstanding coherence properties make superconducting cavities promising systems for storing quantum information. Recent experiments in cQED has demonstrated that redundantly encoding logical qubits in such cavities is a hardware-efficient approach toward error-correctable quantum memories. In order to tap into the power of these protected memories for quantum information processing, robust inter-cavity operations are required. A simple way to realise such operations between two cavities is using the non-linearity of the Josephson junction. To do so, we adopt a multi-cavity architecture where a fixed-frequency, single junction transmon simultaneously couples to two highly coherent 3D cavities. Using only external RF drives, we demonstrate transmon-cavity as well as cavity-cavity SWAP operations and show that such interactions are essential building blocks for implementing multi-cavity conditional logics.

  20. On the exploitation of seismic resonances for cavity detection

    Science.gov (United States)

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

    2017-04-01

    We study the interaction of a seismic wave-field with a spherical acoustic gas- or fluid-filled cavity. The intention of this study is to clarify whether seismic resonances can be expected, a characteristic feature, which may help detecting cavities in the subsurface. This is important for many applications, as in particular the detection of underground nuclear explosions which are to be prohibited by the Comprehensive-Test-Ban-Treaty (CTBT). On-Site Inspections (OSI) should assure possible violation of the CTBT to be convicted after detection of a suspicious event from a nuclear explosion by the international monitoring system (IMS). One primary structural target for the field team during an OSI is the detection of cavities created by underground nuclear explosions. The application of seismic resonances of the cavity for its detection has been proposed in the CTBT by mentioning "resonance seismometry" as possible technique during OSIs. In order to calculate the full seismic wave-field from an incident plane wave that interacts with the cavity, we considered an analytic formulation of the problem. The wave-field interaction consists of elastic scattering and the wave-field interaction between the acoustic and elastic media. Acoustic resonant modes, caused by internal reflections in the acoustic cavity, show up as spectral peaks in the frequency domain. The resonant peaks are in close correlation to the eigenfrequencies of the undamped system described by the particular acoustic medium bounded in a sphere with stiff walls. The filling of the cavity could thus be determined by the observation of spectral peaks from acoustic resonances. By energy transmission from the internal oscillations back into the elastic domain and intrisic attenuation, the oscillations experience damping, resulting in a frequency shift and a limitation of the resonance amplitudes. In case of a gas-filled cavity the impedance contrast is high resulting in very narrow, high-amplitude resonances

  1. 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.

  2. Mechanical optimization of superconducting cavities in continuous wave operation

    Directory of Open Access Journals (Sweden)

    Sam Posen

    2012-02-01

    Full Text Available Several planned accelerator facilities call for hundreds of elliptical cavities operating cw with low effective beam loading, and therefore require cavities that have been mechanically optimized to operate at high Q_{L} by minimizing df/dp, the sensitivity to microphonics detuning from fluctuations in helium pressure. Without such an optimization, the facilities would suffer either power costs driven up by millions of dollars or an extremely high per-cavity trip rate. ANSYS simulations used to predict df/dp are presented as well as a model that illustrates factors that contribute to this parameter in elliptical cavities. For the Cornell Energy Recovery Linac (ERL main linac cavity, df/dp is found to range from 2.5 to 17.4  Hz/mbar, depending on the radius of the stiffening rings, with minimal df/dp for very small or very large radii. For the Cornell ERL injector cavity, simulations predict a df/dp of 124  Hz/mbar, which fits well within the range of measurements performed with the injector cryomodule. Several methods for reducing df/dp are proposed, including decreasing the diameter of the tuner bellows and increasing the stiffness of the enddishes and the tuner. Using measurements from a Tesla Test Facility cavity as the baseline, if both of these measures were implemented and the stiffening rings were optimized, simulations indicate that df/dp would be reduced from ∼30  Hz/mbar to just 2.9  Hz/mbar, and the power required to maintain the accelerating field would be reduced by an order of magnitude. Finally, other consequences of optimizing the stiffening ring radius are investigated. It is found that stiffening rings larger than 70% of the iris-equator distance make the cavity impossible to tune. Small rings, on the other hand, leave the cavity susceptible to plastic deformation during handling and have lower frequency mechanical resonances, which is undesirable for active compensation of microphonics. Additional simulations

  3. 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....

  4. 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

  5. Glucocorticoid-Induced Changes in the Geometry of Osteoclast Resorption Cavities Affect Trabecular Bone Stiffness

    DEFF Research Database (Denmark)

    Vanderoost, Jef; Søe, Kent; Merrild, Ditte Marie Horslev

    2012-01-01

    Bone fracture risk can increase through bone microstructural changes observed in bone pathologies, such as glucocorticoid-induced osteoporosis. Resorption cavities present one of these microstructural aspects. We recently found that glucocorticoids (GCs) affect the shape of the resorption cavities...... differently compared to round cavities. To test this hypothesis, we cultured OCs on bone slices in the presence and absence of GC and quantified their dimensions. These data were used to model the effects of OC resorption cavities on bone mechanical properties using a validated beam-shell finite element model...... is closely related to the shape of the cavities, highly determines the stiffness effect. The lumbar spine was the anatomic site most affected by the GC-induced changes on the shape of the cavities. These findings might explain the clinical observation that the prevalence of vertebral fractures during GC...

  6. 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

  7. Cavity QED with atomic mirrors

    Science.gov (United States)

    Chang, D. E.; Jiang, L.; Gorshkov, A. V.; Kimble, H. J.

    2012-06-01

    A promising approach to merge atomic systems with scalable photonics has emerged recently, which consists of trapping cold atoms near tapered nanofibers. Here, we describe a novel technique to achieve strong, coherent coupling between a single atom and photon in such a system. Our approach makes use of collective enhancement effects, which allow a lattice of atoms to form a high-finesse cavity within the fiber. We show that a specially designated ‘impurity’ atom within the cavity can experience strongly enhanced interactions with single photons in the fiber. Under realistic conditions, a ‘strong coupling’ regime can be reached, wherein it becomes feasible to observe vacuum Rabi oscillations between the excited impurity atom and a single cavity quantum. This technique can form the basis for a scalable quantum information network using atom-nanofiber systems.

  8. Quantification by qPCR of Pathobionts in Chronic Periodontitis: Development of Predictive Models of Disease Severity at Site-Specific Level

    Science.gov (United States)

    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 plaque samples were obtained from control and periodontal sites (probing pocket depth and clinical attachment loss 4 mm, respectively) from 40 patients with moderate-severe generalized chronic periodontitis. The samples were analyzed by qPCR using TaqMan probes and specific primers to determine the concentrations of Actinobacillus actinomycetemcomitans (Aa), Fusobacterium nucleatum (Fn), Parvimonas micra (Pm), Porphyromonas gingivalis (Pg), Prevotella intermedia (Pi), Tannerella forsythia (Tf), and Treponema denticola (Td). The pathobiont-based models were obtained using multivariate binary logistic regression. The best models were selected according to specified criteria. The discrimination was assessed using receiver operating characteristic curves and numerous classification measures were thus obtained. The nomograms were built based on the best predictive models. Eight bacterial cluster-based models showed an area under the curve (AUC) ≥0.760 and a sensitivity and specificity ≥75.0%. The PiTfFn cluster showed an AUC of 0.773 (sensitivity and specificity = 75.0%). When Pm and AaPm were incorporated in the TdPiTfFn cluster, we detected the two best predictive models with an AUC of 0.788 and 0.789, respectively (sensitivity and specificity = 77.5%). The TdPiTfAa cluster had an AUC of 0.785 (sensitivity and specificity = 75.0%). When Pm was incorporated in this cluster, a new predictive model appeared with better AUC and specificity values (0.787 and 80.0%, respectively

  9. Quantification by qPCR of Pathobionts in Chronic Periodontitis: Development of Predictive Models of Disease Severity at Site-Specific Level

    Directory of Open Access Journals (Sweden)

    Inmaculada Tomás

    2017-08-01

    Full Text Available 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 plaque samples were obtained from control and periodontal sites (probing pocket depth and clinical attachment loss <4 mm and >4 mm, respectively from 40 patients with moderate-severe generalized chronic periodontitis. The samples were analyzed by qPCR using TaqMan probes and specific primers to determine the concentrations of Actinobacillus actinomycetemcomitans (Aa, Fusobacterium nucleatum (Fn, Parvimonas micra (Pm, Porphyromonas gingivalis (Pg, Prevotella intermedia (Pi, Tannerella forsythia (Tf, and Treponema denticola (Td. The pathobiont-based models were obtained using multivariate binary logistic regression. The best models were selected according to specified criteria. The discrimination was assessed using receiver operating characteristic curves and numerous classification measures were thus obtained. The nomograms were built based on the best predictive models. Eight bacterial cluster-based models showed an area under the curve (AUC ≥0.760 and a sensitivity and specificity ≥75.0%. The PiTfFn cluster showed an AUC of 0.773 (sensitivity and specificity = 75.0%. When Pm and AaPm were incorporated in the TdPiTfFn cluster, we detected the two best predictive models with an AUC of 0.788 and 0.789, respectively (sensitivity and specificity = 77.5%. The TdPiTfAa cluster had an AUC of 0.785 (sensitivity and specificity = 75.0%. When Pm was incorporated in this cluster, a new predictive model appeared with better AUC and specificity values (0.787 and 80

  10. 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.

  11. 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.

  12. Multi-Site Validation of the SWAT Model on the Bani Catchment: Model Performance and Predictive Uncertainty

    Directory of Open Access Journals (Sweden)

    Jamilatou Chaibou Begou

    2016-04-01

    Full Text Available The objective of this study was to assess the performance and predictive uncertainty of the Soil and Water Assessment Tool (SWAT model on the Bani River Basin, at catchment and subcatchment levels. The SWAT model was calibrated using the Generalized Likelihood Uncertainty Estimation (GLUE approach. Potential Evapotranspiration (PET and biomass were considered in the verification of model outputs accuracy. Global Sensitivity Analysis (GSA was used for identifying important model parameters. Results indicated a good performance of the global model at daily as well as monthly time steps with adequate predictive uncertainty. PET was found to be overestimated but biomass was better predicted in agricultural land and forest. Surface runoff represents the dominant process on streamflow generation in that region. Individual calibration at subcatchment scale yielded better performance than when the global parameter sets were applied. These results are very useful and provide a support to further studies on regionalization to make prediction in ungauged basins.

  13. Coeliac cavity ultrasonic diagnosis apparatus

    Energy Technology Data Exchange (ETDEWEB)

    Ando, O.; Suwaki, T.

    1983-07-05

    A coeliac cavity ultrasonic diagnosis apparatus is disclosed which includes an ultrasonic transducer or scanner portion adapted to be inserted into a coeliac cavity to effect a sector scan of an ultrasonic beam to produce an ultrasonic image of internal tissues and in which the ultrasonic oscillator on the one hand and an ultrasonic reflecting mirror and rotary disc on the other hand are relatively rotated so as to effect the sector scan of the ultrasonic beam and the rotary angle of the rotary disc is detected so as to obtain a deflecting angle of the ultrasonic beam and a display on a cathode ray tube of a precise ultrasonic picture image.

  14. Protein dynamics: hydration and cavities

    Directory of Open Access Journals (Sweden)

    Heremans K.

    2005-01-01

    Full Text Available The temperature-pressure behavior of proteins seems to be unique among the biological macromolecules. Thermodynamic as well as kinetic data show the typical elliptical stability diagram. This may be extended by assuming that the unfolded state gives rise to volume and enthalpy-driven liquid-liquid transitions. A molecular interpretation follows from the temperature and the pressure dependence of the hydration and cavities. We suggest that positron annihilation spectroscopy can provide additional quantitative evidence for the contributions of cavities to the dynamics of proteins. Only mature amyloid fibrils that form from unfolded proteins are very resistant to pressure treatment.

  15. 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.

  16. The effect of three novel feature extraction methods on the prediction of the subcellular localization of multi-site virus proteins.

    Science.gov (United States)

    Wang, Lei; Zhao, Yaou; Chen, Yuehui; Wang, Dong

    2018-01-01

    Experimental methods play a crucial role in identifying the subcellular localization of proteins and building high-quality databases. However, more efficient, automated computational methods are required to predict the subcellular localization of proteins on a large scale. Various efficient feature extraction methods have been proposed to predict subcellular localization, but challenges remain. In this paper, three novel feature extraction methods are established to improve multi-site prediction. The first novel feature extraction method utilizes repetitive information via moving windows based on a dipeptide pseudo amino acid composition method (R-Dipeptide). The second novel feature extraction method utilizes the impact of each amino acid residue on its following residues based on pseudo amino acids (I-PseAAC). The third novel feature extraction method provides local information about protein sequences that reflects the strength of the physicochemical properties of residues (PseAAC2). The multi-label k-nearest neighbor algorithm (MLKNN) is used to predict the subcellular localization of multi-site virus proteins. The best overall accuracy values of R-Dipeptide, I-PseAAC, and PseAAC2 when applied to dataset S from Virus-mPloc are 59.92%, 59.13%, and 57.94% respectively.

  17. GPR Experiments of the Simulated Cavity Detection in Urban Areas

    Science.gov (United States)

    Kim, Changryol; Kang, Woong; Son, Jeongsul; Jeong, Soocheol

    2017-04-01

    Recent years, the deteriorated underground facilities such as sewage or water supply pipes have increased significantly with growing urban development in Korea. The soils surrounding old damaged pipes were washed away beneath the roadbed, causing underground cavities and eventual ground cave-ins in the urban areas. The detection of the roadbed cavities is, therefore, required to prevent property damage and loss of human lives for precautionary measures. In general, GPR is well known as a suitable geophysical technique for shallow underground cavity detection. 3-D GPR technique was applied to conduct the full-scale experiment for roadbed cavity detection. The physical experiment has employed the testing ground with soil characteristics of silty sand soils. The experimental test ground consists of physically simulated cavities with dome-shaped structure, and of hume concrete and cast-iron pipes to simulate underground facilities. The pipes were installed more than one meter below the land surface and simulated cavities nearby were also installed at regular intervals in spatial distribution. The land surface of the site was not paved with asphalt concrete at the current stage of the experiments. The GPR data was obtained to investigate GPR responses due to different antenna orientations (HH and VV antenna orientations) over the testing ground. The results of the experiment show that the reflection patterns from the simulated cavities are hyperbolic returns typical to the point source in 2-D perspective. The different antenna orientations have shown the different areal extents of the hyperbolic reflections patterns from the cavities, and have shown the different characteristics over the pipes on the data. A closer inspection of 3-D GPR volume data has yielded more clear interpretation than 2-D GPR data regarding where the cavities are situated and what kind of shape the cavities show in space. This study is an ongoing project of KIGAM at a second stage of the physical

  18. 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.

  19. 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.

  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. Hybrid Vertical-Cavity Laser

    DEFF Research Database (Denmark)

    2010-01-01

    The present invention provides a light source (2) for light circuits on a silicon platform (3). A vertical laser cavity is formed by a gain region (101) arranged between a top mirror (4) and a bottom grating-mirror (12) in a grating region (11) in a silicon layer (10) on a substrate. A waveguide ...

  2. "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.

  3. On the collapse of cavities

    Science.gov (United States)

    Bourne, N. K.

    The collapse of a single cavity, or a cloud of bubbles has several physical consequences when in proximity to a structure or resident within a material during deformation. The earliest recognized of these was cavitation erosion of the propellers of steam ships. However, other processes include the rapid collapse of cavities leading to hot spots in explosives from which reaction ensues, or the more recent phenomenon of light generation by oscillating single bubbles or clouds. In the collapse of a cavity, the least considered but the most important mechanism is asymmetric closure. One of the consequences of this is the formation of jets leading to local high pressures and shears that result in the damage or reaction mechanisms observed. The challenge for the future remains in understanding the effects of cloud cavitation since it is likely that only one bubble in perhaps millions in a cloud catalyses an event. The review follows the author's work in the understanding of shock-induced cavity collapse and highlights several results which indicate the importance of this problem in a variety of fields.

  4. A 200 MHz prebunching cavity

    CERN Multimedia

    1977-01-01

    This cavity was installed in the PS ring and proved very efficient in providing a modulation on the PS beam before it is injected into the SPS machine. Moreover it allowed longitudinal instabilities studies at high intensities. Roberto Cappi stands on the left.

  5. Improving cooling of cavity blackbodies

    Science.gov (United States)

    Barrat, Catherine; Chauvel, Gildas

    2013-10-01

    A cavity blackbody is the appropriate IR reference source for IR sensors which require high radiance levels. It combines high emissivity independent from wavelength and high speed warm up and high stability thanks to its light trap structure. However, the inconvenient of this structure is that it leads to a prohibitive cooling time. HGH developed a method to speed up the cooling time.

  6. Simulations of Cavity-Stabilized Flames in Supersonic Flow Using Reduced Chemical Kinetic Mechanisms (Postprint)

    National Research Council Canada - National Science Library

    Liu, Jiwen; Tam, Chung-Jen; Lu, Tianfeng; Law, Chung K

    2006-01-01

    The VULCAN CFD code integrated with a reduced chemical kinetic mechanism was applied to simulate cavity-stabilized ethylene-air flames and to predict flame stability limits in supersonic flows based...

  7. Wind-tunnel simulation of lower atmosphere layers. Application to prediction of the environmental impact of an industrial site

    International Nuclear Information System (INIS)

    Serres, Eric.

    1980-01-01

    Physical simulation of lower atmosphere layers in a wind tunnel is a particularly useful method for understanding the basic effects involved and for studying individual sites in areas with complex relief features. The study described in this report includes four main parts, in which conditions for application of physical model simulation data to atmospheric flows are determined from an analysis of scaling requirements and results of an experimental study of turbulent boundary layers at high Reynolds numbers, followed by an investigation of gas effluent dispersion on a model of a nuclear power plant site. General features of the wind tunnel, methods of measurement and the test data processing programs used are described. By provision of suitable boundary roughness and injection of air at the test section inlet, thick boundary layers with similar internal characteristics to those of the ground-level atmospheric layer are obtained. In particular, air injection has the effect of increasing thickness of the constant-shear zone. A 1/700 scale model of the Paluel site was installed in this turbulent boundary layer to investigate the effect of local cliffs on dispersion of radioactive effluent from chimneys of varying height. The test data represent the mean and turbulent air flow patterns on the site and effluent concentration distribution in the area surrounding the power plant [fr

  8. Methylation of CpG sites in RNF180 DNA promoter prediction poor survival of gastric cancer.

    Science.gov (United States)

    Deng, Jingyu; Liang, Han; Ying, Guoguang; Zhang, Rupeng; Wang, Baogui; Yu, Jun; Fan, Daiming; Hao, Xishan

    2014-05-30

    RNF 180, a novel tumor suppressor, has been implicated in the carcinogenesis and progress of gastric cancer. At present study, we found that lower expression of RNA180 was specific in gastric cancer tissues, and the inconsistently methylated levels of RNF180 promoter were identified in the gastric cancer tissues. Importantly, we demonstrated that the methylated CpG site count and four hypermethylated CpG sites (-116, -80, +97, and +102) were significantly associated with the survival of 400 gastric cancer patients, respectively. With multivariate survival analyses, we demonstrated that both the methylation of combined CpG (-116, -80, +97, and +102) sites and N stage were the independent indictor of prognosis of gastric cancer patients. Eventually, the methylation of combined CpG (-116, -80, +97, and +102) sites was identified to have smaller AIC value than N stage by mean of AIC calculation with the Cox proportional hazards model. These findings indicated that the quantitative detection of RNF180 promoter methylation had the intensive feasibility for evaluation the prognosis of gastric cancer patients in clinic.

  9. 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

  10. 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.

  11. An insight into the general relationship between the three dimensional structures of enzymes and their electronic wave functions: Implication for the prediction of functional sites of enzymes.

    Science.gov (United States)

    Fukushima, K; Wada, M; Sakurai, M

    2008-06-01

    In this study, we explored the general relationship between the three-dimensional (3D) structures of enzymes and their electronic wave functions. Furthermore, we developed a method for the prediction of their functionally important sites. For this purpose, we first performed linear-scaling molecular orbital calculations for 112 nonredundant, non-homologous enzymes with known structure and function. In consequence, we showed that the canonical molecular orbitals (MOs) of the enzymes could be classified into three groups according to the degree of electron delocalization: highly localized orbitals (Group A), highly delocalized orbitals whose electrons are distributed over almost the whole molecule (Group B), and moderately delocalized orbitals (Group C). The MOs belonging to Group A are located near the HOMO-LUMO band gap, and thereby include the frontier orbitals of a given enzyme. We inferred that the MOs of Group B play a role in stabilizing the 3D structure of the enzyme, while those of Group C contribute to constructing the covalent bond framework of the enzyme. Next, we investigated whether the frontier orbitals of enzymes could be used for identifying their potential functional sites. As a result, we found that the frontier orbitals of the 112 enzymes have a high propensity to be colocalized with the known functional sites, especially when the enzymes are hydrated. Such a propensity is shown to be remarkable when Glu or Asp is a functional site residue. On the basis of these results, we finally propose a protocol for the prediction of functional sites of enzymes. (c) 2008 Wiley-Liss, Inc.

  12. Effects of surface damage on rf cavity operation

    Directory of Open Access Journals (Sweden)

    A. Hassanein

    2006-06-01

    Full Text Available We describe a model of damage in rf cavities and show how this damage can limit cavity operation. We first present a review of mechanisms that may or may not affect the ultimate fields that can be obtained in rf cavities, assuming that mechanical stress explains the triggers of rf breakdown events. We present a method of quantifying the surface damage caused by breakdown events in terms of the spectrum of field enhancement factors, β, for asperities on the surface. We then model an equilibrium that can develop between damage and conditioning effects, and show how this equilibrium can determine cavity performance and show experimental evidence for this mechanism. We define three functions that quantify damage, and explain how the parameters that determine performance can be factored out and measured. We then show how this model can quantitatively explain the dependence of cavity performance on material, frequency, pulse length, gas, power supply, and other factors. The examples given in this paper are derived from a variety of incomplete data sets, so we outline an experimental program that should improve these predictions, provide mechanisms for comparing data from different facilities, and fill in many gaps in the existing data.

  13. 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.

  14. 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

    observed in A.thaliana transformants. Predictions for alternatively spliced genes are also presented, together with examples of genes from other dicots, monocots and algae. The method has been made available through electronic mail (NetPlantGene@cbs.dtu.dk), or the WWW at http://www.cbs.dtu.dk/NetPlantGene.html...

  15. 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...

  16. 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.

  17. 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.

  18. 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.

  19. Pattern of cavities in globins: the case of human hemoglobin.

    Science.gov (United States)

    Savino, Carmelinda; Miele, Adriana E; Draghi, Federica; Johnson, Kenneth A; Sciara, Giuliano; Brunori, Maurizio; Vallone, Beatrice

    2009-12-01

    Our aim is to shed light on the conservation of potential ligand docking sites that play an important role in ligand dynamics of globins by using the technique of filling internal cavities naturally present in hemoglobin and myoglobin with xenon atoms. In particular, we present the high resolution structures of the Xe-adduct of deoxygenated wild type human hemoglobin and a quadruple mutant (L(B10)Y and H(E7)Q in alpha and beta chains). For the sake of comparison we also determined under the same experimental conditions the xenon complex of wild type sperm whale myoglobin. The analysis revealed that the number and position of Xe binding cavities are different in the alpha and beta subunits, the latter being more similar to myoglobin. Notably, no proximal Xe docking site was detected in hemoglobin, at variance with myoglobin. The pattern of internal cavities accessibility and affinity for xenon suggests a different role for the dynamics of ligand migration in the two types of hemoglobin chains as compared to myoglobin. The number and position of hydrophobic cavities in hemoglobin are briefly discussed also in comparison with the data available for other members of the globin superfamily.

  20. 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

  1. 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...

  2. 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....

  3. 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

  4. Prediction of Protein-Protein Interacting Sites: How to Bridge Molecular Events to Large Scale Protein Interaction Networks

    Science.gov (United States)

    Bartoli, Lisa; Martelli, Pier Luigi; Rossi, Ivan; Fariselli, Piero; Casadio, Rita

    Most of the cellular functions are the result of the concerted action of protein complexes forming pathways and networks. For this reason, efforts were devoted to the study of protein-protein interactions. Large-scale experiments on whole genomes allowed the identification of interacting protein pairs. However residues involved in the interaction are generally not known and the majority of the interactions still lack a structural characterization. A crucial step towards the deciphering of the interaction mechanism of proteins is the recognition of their interacting surfaces, particularly in those structures for which also the most recent interaction network resources do not contain information. To this purpose, we developed a neural network-based method that is able to characterize protein complexes, by predicting amino acid residues that mediate the interactions. All the Protein Data Bank (PDB) chains, both in the unbound and in the complexed form, are predicted and the results are stored in a database of interaction surfaces (http://gpcr.biocomp.unibo.it/zenpatches). Finally, we performed a survey on the different computational methods for protein-protein interaction prediction and on their training/testing sets in order to highlight the most informative properties of protein interfaces.

  5. 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.

  6. 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.

  7. Diagram of a LEP superconducting cavity

    CERN Multimedia

    1991-01-01

    This diagram gives a schematic representation of the superconducting radio-frequency cavities at LEP. Liquid helium is used to cool the cavity to 4.5 degrees above absolute zero so that very high electric fields can be produced, increasing the operating energy of the accelerator. Superconducting cavities were used only in the LEP-2 phase of the accelerator, from 1996 to 2000.

  8. 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

  9. 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

  10. Gastrophysics of the Oral Cavity.

    Science.gov (United States)

    Mouritsen, Ole G

    2016-01-01

    Gastrophysics is the science that pertains to the physical and physico-chemical description of the empirical world of gastronomy, with focus on sensory perception in the oral cavity and how it is related to the materials properties of food and cooking processes. Flavor (taste and smell), mouthfeel, chemesthesis, and astringency are all related to the chemical properties and the texture of the food and how the food is transformed in the oral cavity. The present topical review will primarily focus attention on the somatosensory perception of food (mouthfeel or texture) and how it interacts with basic tastes (sour, bitter, sweet, salty, and umami) and chemesthetic action. Issues regarding diet, nutrition, and health will be put into an evolutionary perspective, and some mention will be made of umami and its importance for (oral) health.

  11. A micropillar for cavity optomechanics

    Science.gov (United States)

    Kuhn, Aurélien; Neuhaus, Leonhard; Van Brackel, Emmanuel; Chartier, Claude; Ducloux, Olivier; Le Traon, Olivier; Michel, Christophe; Pinard, Laurent; Flaminio, Raffaele; Deléglise, Samuel; Briant, Tristan; Cohadon, Pierre-François; Heidmann, Antoine

    2014-12-01

    Demonstrating the quantum ground state of a macroscopic mechanical object is a major experimental challenge in physics, at the origin of the rapid emergence of cavity optomechanics. We have developed a new generation of optomechanical devices, based on a microgram quartz micropillar with a very high mechanical quality factor. The structure is used as end mirror in a Fabry-Perot cavity with a high optical finesse, leading to ultra-sensitive interferometric measurement of the resonator displacement. We expect to reach the ground state of this optomechanical resonator by combining cryogenic cooling in a dilution fridge at 30 mK and radiation-pressure cooling. We have already carried out a quantum-limited measurement of the micropillar thermal noise at low temperature.

  12. 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...... described, and their implications for microdroplet resonator technology are discussed. Optofluidic implementations of microdroplet resonators are reviewed with emphasis on the basic optomechanical properties....

  13. Human health risk assessment: models for predicting the effective exposure duration of on-site receptors exposed to contaminated groundwater.

    Science.gov (United States)

    Baciocchi, Renato; Berardi, Simona; Verginelli, Iason

    2010-09-15

    Clean-up of contaminated sites is usually based on a risk-based approach for the definition of the remediation goals, which relies on the well known ASTM-RBCA standard procedure. In this procedure, migration of contaminants is described through simple analytical models and the source contaminants' concentration is supposed to be constant throughout the entire exposure period, i.e. 25-30 years. The latter assumption may often result over-protective of human health, leading to unrealistically low remediation goals. The aim of this work is to propose an alternative model taking in account the source depletion, while keeping the original simplicity and analytical form of the ASTM-RBCA approach. The results obtained by the application of this model are compared with those provided by the traditional ASTM-RBCA approach, by a model based on the source depletion algorithm of the RBCA ToolKit software and by a numerical model, allowing to assess its feasibility for inclusion in risk analysis procedures. The results discussed in this work are limited to on-site exposure to contaminated water by ingestion, but the approach proposed can be extended to other exposure pathways. Copyright 2010 Elsevier B.V. All rights reserved.

  14. 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

  15. Optomechanic interactions in phoxonic cavities

    Directory of Open Access Journals (Sweden)

    Bahram Djafari-Rouhani

    2014-12-01

    Full Text Available Phoxonic crystals are periodic structures exhibiting simultaneous phononic and photonic band gaps, thus allowing the confinement of both excitations in the same cavity. The phonon-photon interaction can be enhanced due to the overlap of both waves in the cavity. In this paper, we discuss some of our recent theoretical works on the strength of the optomechanic coupling, based on both photoelastic and moving interfaces mechanisms, in different (2D, slabs, strips phoxonic crystals cavities. The cases of two-dimensional infinite and slab structures will enable us to mention the important role of the symmetry and degeneracy of the modes, as well as the role of the materials whose photoelastic constants can be wavelength dependent. Depending on the phonon-photon pair, the photoelastic and moving interface mechanisms can contribute in phase or out-of-phase. Then, the main part of the paper will be devoted to the optomechanic interaction in a corrugated nanobeam waveguide exhibiting dual phononic/photonic band gaps. Such structures can provide photonic modes with very high quality factor, high frequency phononic modes of a few GHz inside a gap and optomechanical coupling rate reaching a few MHz.

  16. Optomechanic interactions in phoxonic cavities

    Energy Technology Data Exchange (ETDEWEB)

    Djafari-Rouhani, Bahram; Oudich, Mourad; Pennec, Yan [Institut d’Electronique, de Microélectronique et de Nanotechnologie (IEMN), UMR CNRS 8520, UFR de physique, Université Lille1, Cité Scientifique, 59652, Villeneuve d’Ascq (France); El-Jallal, Said [Institut d’Electronique, de Microélectronique et de Nanotechnologie (IEMN), UMR CNRS 8520, UFR de physique, Université Lille1, Cité Scientifique, 59652, Villeneuve d’Ascq (France); Physique du Rayonnement et de l’Interaction Laser Matière, Faculté des sciences, Université de Moulay Ismail, Meknès (Morocco)

    2014-12-15

    Phoxonic crystals are periodic structures exhibiting simultaneous phononic and photonic band gaps, thus allowing the confinement of both excitations in the same cavity. The phonon-photon interaction can be enhanced due to the overlap of both waves in the cavity. In this paper, we discuss some of our recent theoretical works on the strength of the optomechanic coupling, based on both photoelastic and moving interfaces mechanisms, in different (2D, slabs, strips) phoxonic crystals cavities. The cases of two-dimensional infinite and slab structures will enable us to mention the important role of the symmetry and degeneracy of the modes, as well as the role of the materials whose photoelastic constants can be wavelength dependent. Depending on the phonon-photon pair, the photoelastic and moving interface mechanisms can contribute in phase or out-of-phase. Then, the main part of the paper will be devoted to the optomechanic interaction in a corrugated nanobeam waveguide exhibiting dual phononic/photonic band gaps. Such structures can provide photonic modes with very high quality factor, high frequency phononic modes of a few GHz inside a gap and optomechanical coupling rate reaching a few MHz.

  17. Status of the ILC Crab Cavity Development

    Energy Technology Data Exchange (ETDEWEB)

    Burt, G.; Dexter, A.; /Cockcroft Inst. Accel. Sci. Tech.; Beard, C.; Goudket, P.; McIntosh, P.; /Daresbury; Bellantoni, L.; /Fermilab; Grimm, T.; Li, Z.; Xiao, L.; /SLAC

    2011-10-20

    The International Linear Collider (ILC) will require two dipole cavities to 'crab' the electron and positron bunches prior to their collision. It is proposed to use two 9 cell SCRF dipole cavities operating at a frequency of 3.9 GHz, with a transverse gradient of 3.8MV/m in order to provide the required transverse kick. Extensive numerical modelling of this cavity and its couplers has been performed. Aluminium prototypes have been manufactured and tested to measure the RF properties of the cavity and couplers. In addition single cell niobium prototypes have been manufactured and tested in a vertical cryostat. The International Collider (ILC) [1] collides bunches of electrons and positrons at a crossing angle of 14 mrad. The angle between these bunches causes a loss in luminosity due to geometric effects [2]. The luminosity lost from this geometric effect can be recovered by rotating the bunches into alignment prior to collision. One possible method of rotating the bunches is to use a crab cavity [3]. A crab cavity is a transverse defecting cavity, where the phase of the cavity is such that the head and tail of the bunch receive equal and opposite kicks. As the bunches are only 500 nm wide in the horizontal plane, the cavity phase must be strictly controlled to avoid the bunch centre being deflected too much. In order to keep the phase stability within the required limits it is required that the cavity be superconducting to avoid thermal effects in both the cavity and its RF source. At the location of the crab cavity in the ILC there is only 23 cm separation between the centre of the cavity and the extraction line, hence the cavity must be small enough to fit in this space. This, along with the difficulty of making high frequency SRF components, set the frequency of the cavity to 3.9 GHz.

  18. The nasopharynx, the paranasal sinuses, and nasal cavity

    International Nuclear Information System (INIS)

    Mancuso, A.A.

    1985-01-01

    In considering malignancies of the head and neck region, a number of sites mutually lend themselves to the presentation of diagnostic imaging and treatment. Some of these sites are the nasopharynx, the paranasal sinuses, and the nasal cavity, which are primarily concerned with the intake of air and are, in essence, the beginning of the respiratory tract. Because of its function, the tract is exposed to many environmental antigens and pollutants. For example, carcinoma of the nasopharynx is especially common among southern Chinese and seems to be related to environmental rather than genetic factors. However, the Epstein-Barr virus is associated with nasopharyngeal carcinomas in all races. The incidence of carcinomas of the nasal cavity and the paranasal sinuses has been found to be increased in furniture workers and appears to be related to wood dust inhalation

  19. Investigation of superconducting niobium 1170 MHz cavities

    International Nuclear Information System (INIS)

    Anashin, V.V.; Bibko, S.I.; Fadeyev, E.I.

    1988-01-01

    The design, fabrication and experiments with superconducting L-band single cell cavities are described. These cavities model a cell of an accelerating RF structure. The cavities have been fabricated from technical grade and higher purity grade sheet niobium using deep-drawing, electron beam welding and chemical polishing. They have spherical geometry and are excited in the TM 010 mode. A computerized set-up was used for cavity tests. Qo=1.5 x 10 9 and E acc = 4.3 MV/m were obtained in the cavity made of higher purity grade niobium. 6 references, 8 figures, 3 tables

  20. 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

  1. Comparative population structure of cavity-nesting sea ducks

    Science.gov (United States)

    Pearce, John M.; Eadie, John M.; Savard, Jean-Pierre L.; Christensen, Thomas K.; Berdeen, James; Taylor, Eric J.; Boyd, Sean; Einarsson, Árni

    2014-01-01

    A growing collection of mtDNA genetic information from waterfowl species across North America suggests that larger-bodied cavity-nesting species exhibit greater levels of population differentiation than smaller-bodied congeners. Although little is known about nest-cavity availability for these species, one hypothesis to explain differences in population structure is reduced dispersal tendency of larger-bodied cavity-nesting species due to limited abundance of large cavities. To investigate this hypothesis, we examined population structure of three cavity-nesting waterfowl species distributed across much of North America: Barrow's Goldeneye (Bucephala islandica), Common Goldeneye (B. clangula), and Bufflehead (B. albeola). We compared patterns of population structure using both variation in mtDNA control-region sequences and band-recovery data for the same species and geographic regions. Results were highly congruent between data types, showing structured population patterns for Barrow's and Common Goldeneye but not for Bufflehead. Consistent with our prediction, the smallest cavity-nesting species, the Bufflehead, exhibited the lowest level of population differentiation due to increased dispersal and gene flow. Results provide evidence for discrete Old and New World populations of Common Goldeneye and for differentiation of regional groups of both goldeneye species in Alaska, the Pacific Northwest, and the eastern coast of North America. Results presented here will aid management objectives that require an understanding of population delineation and migratory connectivity between breeding and wintering areas. Comparative studies such as this one highlight factors that may drive patterns of genetic diversity and population trends.

  2. Cavity Optomechanics at Millikelvin Temperatures

    Science.gov (United States)

    Meenehan, Sean Michael

    The field of cavity optomechanics, which concerns the coupling of a mechanical object's motion to the electromagnetic field of a high finesse cavity, allows for exquisitely sensitive measurements of mechanical motion, from large-scale gravitational wave detection to microscale accelerometers. Moreover, it provides a potential means to control and engineer the state of a macroscopic mechanical object at the quantum level, provided one can realize sufficiently strong interaction strengths relative to the ambient thermal noise. Recent experiments utilizing the optomechanical interaction to cool mechanical resonators to their motional quantum ground state allow for a variety of quantum engineering applications, including preparation of non-classical mechanical states and coherent optical to microwave conversion. Optomechanical crystals (OMCs), in which bandgaps for both optical and mechanical waves can be introduced through patterning of a material, provide one particularly attractive means for realizing strong interactions between high-frequency mechanical resonators and near-infrared light. Beyond the usual paradigm of cavity optomechanics involving isolated single mechanical elements, OMCs can also be fashioned into planar circuits for photons and phonons, and arrays of optomechanical elements can be interconnected via optical and acoustic waveguides. Such coupled OMC arrays have been proposed as a way to realize quantum optomechanical memories, nanomechanical circuits for continuous variable quantum information processing and phononic quantum networks, and as a platform for engineering and studying quantum many-body physics of optomechanical meta-materials. However, while ground state occupancies (that is, average phonon occupancies less than one) have been achieved in OMC cavities utilizing laser cooling techniques, parasitic absorption and the concomitant degradation of the mechanical quality factor fundamentally limit this approach. On the other hand, the high

  3. STRUCTURAL ANALYSIS OF SUPERCONDUCTING ACCELERATOR CAVITIES

    International Nuclear Information System (INIS)

    Schrage, D.

    2000-01-01

    The static and dynamic structural behavior of superconducting cavities for various projects was determined by finite element structural analysis. The β = 0.61 cavity shape for the Neutron Science Project was studied in detail and found to meet all design requirements if fabricated from five millimeter thick material with a single annular stiffener. This 600 MHz cavity will have a Lorentz coefficient of minus1.8 Hz/(Mv/meter) 2 and a lowest structural resonance of more than 100 Hz. Cavities at β = 0.48, 0.61, and 0.77 were analyzed for a Neutron Science Project concept which would incorporate 7-cell cavities. The medium and high beta cavities were found to meet all criteria but it was not possible to generate a β = 0.48 cavity with a Lorentz coefficient of less than minus3 Hz/(Mv/meter) 2

  4. Novel Geometries for the LHC Crab Cavity

    Energy Technology Data Exchange (ETDEWEB)

    B. Hall, G. Burt, C. Lingwood, R. Rimmer, H. Wang

    2010-05-23

    The planned luminosity upgrade to LHC is likely to necessitate a large crossing angle and a local crab crossing scheme. For this scheme crab cavities align bunches prior to collision. The scheme requires at least four such cavities, a pair on each beam line either side of the interaction point (IP). Upstream cavities initiate rotation and downstream cavities cancel rotation. Cancellation is usually done at a location where the optics has re-aligned the bunch. The beam line separation near the IP necessitates a more compact design than is possible with elliptical cavities such as those used at KEK. The reduction in size must be achieved without an increase in the operational frequency to maintain compatibility with the long bunch length of the LHC. This paper proposes a suitable superconducting variant of a four rod coaxial deflecting cavity (to be phased as a crab cavity), and presents analytical models and simulations of suitable designs.

  5. Novel Geometries for the LHC Crab Cavity

    Energy Technology Data Exchange (ETDEWEB)

    B. Hall,G. Burt,C. Lingwood,Robert Rimmer,Haipeng Wang; Hall, B. [CI Lancaster University (Great Britain); Burt, G. [CI Lancaster University (Great Britain); Lingwood, C. [CI Lancaster University (Great Britain); Rimmer, Robert [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Wang, Haipeng [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)

    2010-05-01

    The planned luminosity upgrade to LHC is likely to necessitate a large crossing angle and a local crab crossing scheme. For this scheme crab cavities align bunches prior to collision. The scheme requires at least four such cavities, a pair on each beam line either side of the interaction point (IP). Upstream cavities initiate rotation and downstream cavities cancel rotation. Cancellation is usually done at a location where the optics has re-aligned the bunch. The beam line separation near the IP necessitates a more compact design than is possible with elliptical cavities such as those used at KEK. The reduction in size must be achieved without an increase in the operational frequency to maintain compatibility with the long bunch length of the LHC. This paper proposes a suitable superconducting variant of a four rod coaxial deflecting cavity (to be phased as a crab cavity), and presents analytical models and simulations of suitable designs.

  6. Underground siting of nuclear power plants

    International Nuclear Information System (INIS)

    Pinto, S.; Telleschi, P.

    1978-10-01

    Two of the main underground siting alternatives, the rock cavity plant and the pit siting, have been investigated in detail and two layouts, developed for specific sites, have been proposed. The influence of this type of siting on normal operating conditions and during abnormal occurences have been investigated. (Auth.)

  7. Cavities and packing defects in the structural dynamics of myoglobin.

    Science.gov (United States)

    Brunori, M; Gibson, Q H

    2001-08-01

    Small globular proteins contain internal cavities and packing defects that reduce thermodynamic stability but seem to play a role in controlling function by defining pathways for the diffusion of the ligand/substrate to the active site. In the case of myoglobin (Mb), a prototype for structure-function relationship studies, the photosensitivity of the adduct of the reduced protein with CO, O2 and NO allows events related to the migration of the ligand through the matrix to be followed. The crystal structures of intermediate states of wild-type (wt) and mutant Mbs show the photolysed CO to be located either in the distal heme pocket (primary docking site) or in one of two alternative cavities (secondary docking sites) corresponding to packing defects accessible to an atom of xenon. These results convey the general picture that pre-existing internal cavities are involved in controlling the dynamics and reactivity of the reactions of Mb with O2 and other ligands, including NO.

  8. White lesions in the oral cavity: A clinicopathological study from a tertiary care dermatology centre in Kerala, India

    Directory of Open Access Journals (Sweden)

    S M Simi

    2013-01-01

    Full Text Available Context: White lesions in the oral cavity may be benign, pre-malignant or malignant. There are no signs and symptoms which can reliably predict whether a leukoplakia will undergo malignant change or not. Many systemic conditions appear initially in the oral cavity and prompt diagnosis and management can help in minimizing disease progression and organ destruction. Aim : The aim of the paper was to study the clinical and histopathological patterns of white lesions in the oral cavity presented at the study setting and to study the factors associated with the histopathological patterns of the lesions. Settings and Design: A hospital based cross-sectional study of patients with white lesions in the oral cavity attending the Department of Dermatology and Venereology, Medical College, Thiruvananthapuram was done. Materials and Methods: After taking a detailed history, microscopic examination of Potassium hydroxide smear and an oral biopsy with histopathologial examination was done. Results : Out of the 50 patients in the study, clinically the diagnoses made were Lichen planus (32 patients; 64%, Frictional Keratosis (4;8%, Dysplasia (2;4%, Oral Hairy Leukoplakia (1;2%, Pemphigus Vulgaris (2;4%, Cutaneous Lupus Erythematosus (1;2%, Oral Submucous fibrosis (3;6% and Oral Candidiasis alone (5;10%. Out of the 45 patients who had undergone biopsy, 25 (55.6% had Lichen planus, 9 (20% had Frictional Keratosis and mild Dysplasia was found in 4 (8.9% patients. Conclusion : The measure of agreement between the clinical and pathological diagnosis was only 32%. Older age, difficulty in opening the mouth, consumption of non-smoked tobacco, site of the lesion (gingival, floor of mouth or lingual vestibule and presence of tenderness on the lesion were significantly associated with Dysplasia.

  9. Data-Model Assimilation at the FACE and AmeriFlux Sites Toward Predictive Understanding of Carbon Sequestration at Ecosystem and Regional Scales

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Yiqi [Univ. of Oklahoma, Norman, OK (United States)

    2013-01-09

    The project was conducted during the period from 9/1/2007 to 8/31/2011 with three major tasks: (1) development of data assimilation (DA) techniques for terrestrial carbon research; (2) applications of DA techniques to analysis of carbon cycle at Duke and other FACE sites; and (3) inverse analysis at AmeriFlux sites. During this period, we have developed a variety of techniques, including (1) ensemble Kalman filter to estimate model parameters or state variables (Gao et al. 2011), (2) Conditional inversion to estimate parameters of a carbon cycle model (Wu et al. 2009), and (3) various methods to quantify uncertainty of estimated parameters and predicted C sinks (e.g., Weng et al. 2011), and (4) information theory to evaluate information content of different model structures and data sets (Weng and Luo 2011). We applied the DA techniques to and did modeling at the Duke FACE and other global change experimental sites. We addressed the following issues: (1) interactive effects of CO2, warming and precipitation on ecosystem processes (e.g., Luo et al. 2008, Weng and Luo 2008, Zhou et al. 2008), (2) effects of warming on estimated parameters related to photosynthesis and residence times (Zhou et al. 2010); and (3) uncertainty in estimated parameters and predicted C sequestration (Gao et al. 2011, Weng and Luo 2011). In addition, we have done data assimilation to estimate carbon residence and carbon sequestration in US continent (Zhou and Luo 2008) and temperature sensitivity at the global scale (Zhou et al. 2009).

  10. Predicting the functionally distinct residues in the heme, cation, and substrate-binding sites of peroxidase from stress-tolerant mangrove specie, Avicennia marina.

    Science.gov (United States)

    Jabeen, Uzma; Abbasi, Atiya; Salim, Asmat

    2011-11-01

    Recent work was conducted to predict the structure of functionally distinct regions of Avicennia marina peroxidase (AP) by using the structural coordinates of barley grains peroxidase as the template. This enzyme is utilized by all living organisms in many biosynthetic or degradable processes and in defense against oxidative stress. The homology model showed some distinct structural changes in the heme, calcium, and substrate-binding regions. Val53 was found to be an important coordinating residue between distal calcium ion and the distal heme site while Ser176 is coordinated to the proximal histidine through Ala174 and Leu172. Different ionic and hydrogen-bonded interactions were also observed in AP. Analyses of various substrate-enzyme interactions revealed that the substrate-binding pocket is provided by the residues, His41, Phe70, Gly71, Asp138, His139, and Lys176; the later three residues are not conserved in the peroxidase family. We have also performed structural comparison of the A. marina peroxidase with that of two class III salt-sensitive species, peanut and soybean. Four loop regions were found to have largest structural deviation. The overall protein sequence was also analyzed for the presence of probable post-translational modification sites and the functional significance of these sites were outlined.

  11. Diagnostics and treatment of 1.3 GHz Nb cavities

    International Nuclear Information System (INIS)

    Tamashevich, Yegor

    2017-01-01

    increase the accuracy of the measurements. A new program code for quench localisation calculating the path of the second-sound wave was developed. This allows the signals from all sensors to be used, regardless of their position relative to the quench site. The new approach was validated using additional techniques such as a temperature mapping and an optical inspection of the inner cavity surface. Furthermore, a new multi-sensor for second-sound wave detection in the helium vessel of a cavity was developed and successfully tested on a serial-production XFEL cavity. The determined quench site location was confirmed by subsequent optical inspection. The algorithm localises the quench without mode measurements i.e. there is no need to dismount HOM-antennas which requires special procedures and must be performed in a clean-room. The mathematical approach described in this paper can be applied for second-sound tests of superconductive cavities of various shapes and dimensions.

  12. Minimizing the cost of translocation failure with decision-tree models that predict species' behavioral response in translocation sites.

    Science.gov (United States)

    Ebrahimi, Mehregan; Ebrahimie, Esmaeil; Bull, C Michael

    2015-08-01

    The high number of failures is one reason why translocation is often not recommended. Considering how behavior changes during translocations may improve translocation success. To derive decision-tree models for species' translocation, we used data on the short-term responses of an endangered Australian skink in 5 simulated translocations with different release conditions. We used 4 different decision-tree algorithms (decision tree, decision-tree parallel, decision stump, and random forest) with 4 different criteria (gain ratio, information gain, gini index, and accuracy) to investigate how environmental and behavioral parameters may affect the success of a translocation. We assumed behavioral changes that increased dispersal away from a release site would reduce translocation success. The trees became more complex when we included all behavioral parameters as attributes, but these trees yielded more detailed information about why and how dispersal occurred. According to these complex trees, there were positive associations between some behavioral parameters, such as fight and dispersal, that showed there was a higher chance, for example, of dispersal among lizards that fought than among those that did not fight. Decision trees based on parameters related to release conditions were easier to understand and could be used by managers to make translocation decisions under different circumstances. © 2015 Society for Conservation Biology.

  13. Interacting factors driving a major loss of large trees with cavities in a forest ecosystem.

    Directory of Open Access Journals (Sweden)

    David B Lindenmayer

    Full Text Available Large trees with cavities provide critical ecological functions in forests worldwide, including vital nesting and denning resources for many species. However, many ecosystems are experiencing increasingly rapid loss of large trees or a failure to recruit new large trees or both. We quantify this problem in a globally iconic ecosystem in southeastern Australia--forests dominated by the world's tallest angiosperms, Mountain Ash (Eucalyptus regnans. Tree, stand and landscape-level factors influencing the death and collapse of large living cavity trees and the decay and collapse of dead trees with cavities are documented using a suite of long-term datasets gathered between 1983 and 2011. The historical rate of tree mortality on unburned sites between 1997 and 2011 was >14% with a mortality spike in the driest period (2006-2009. Following a major wildfire in 2009, 79% of large living trees with cavities died and 57-100% of large dead trees were destroyed on burned sites. Repeated measurements between 1997 and 2011 revealed no recruitment of any new large trees with cavities on any of our unburned or burned sites. Transition probability matrices of large trees with cavities through increasingly decayed condition states projects a severe shortage of large trees with cavities by 2039 that will continue until at least 2067. This large cavity tree crisis in Mountain Ash forests is a product of: (1 the prolonged time required (>120 years for initiation of cavities; and (2 repeated past wildfires and widespread logging operations. These latter factors have resulted in all landscapes being dominated by stands ≤72 years and just 1.16% of forest being unburned and unlogged. We discuss how the features that make Mountain Ash forests vulnerable to a decline in large tree abundance are shared with many forest types worldwide.

  14. Prediction of site-specific interactions in antibody-antigen complexes: the proABC method and server.

    KAUST Repository

    Olimpieri, Pier Paolo

    2013-06-26

    MOTIVATION: Antibodies or immunoglobulins are proteins of paramount importance in the immune system. They are extremely relevant as diagnostic, biotechnological and therapeutic tools. Their modular structure makes it easy to re-engineer them for specific purposes. Short of undergoing a trial and error process, these experiments, as well as others, need to rely on an understanding of the specific determinants of the antibody binding mode. RESULTS: In this article, we present a method to identify, on the basis of the antibody sequence alone, which residues of an antibody directly interact with its cognate antigen. The method, based on the random forest automatic learning techniques, reaches a recall and specificity as high as 80% and is implemented as a free and easy-to-use server, named prediction of Antibody Contacts. We believe that it can be of great help in re-design experiments as well as a guide for molecular docking experiments. The results that we obtained also allowed us to dissect which features of the antibody sequence contribute most to the involvement of specific residues in binding to the antigen. AVAILABILITY: http://www.biocomputing.it/proABC. CONTACT: anna.tramontano@uniroma1.it or paolo.marcatili@gmail.com SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

  15. PSNO: Predicting Cysteine S-Nitrosylation Sites by Incorporating Various Sequence-Derived Features into the General Form of Chou’s PseAAC

    Directory of Open Access Journals (Sweden)

    Jian Zhang

    2014-06-01

    Full Text Available S-nitrosylation (SNO is one of the most universal reversible post-translational modifications involved in many biological processes. Malfunction or dysregulation of SNO leads to a series of severe diseases, such as developmental abnormalities and various diseases. Therefore, the identification of SNO sites (SNOs provides insights into disease progression and drug development. In this paper, a new bioinformatics tool, named PSNO, is proposed to identify SNOs from protein sequences. Firstly, we explore various promising sequence-derived discriminative features, including the evolutionary profile, the predicted secondary structure and the physicochemical properties. Secondly, rather than simply combining the features, which may bring about information redundancy and unwanted noise, we use the relative entropy selection and incremental feature selection approach to select the optimal feature subsets. Thirdly, we train our model by the technique of the k-nearest neighbor algorithm. Using both informative features and an elaborate feature selection scheme, our method, PSNO, achieves good prediction performance with a mean Mathews correlation coefficient (MCC value of about 0.5119 on the training dataset using 10-fold cross-validation. These results indicate that PSNO can be used as a competitive predictor among the state-of-the-art SNOs prediction tools. A web-server, named PSNO, which implements the proposed method, is freely available at http://59.73.198.144:8088/PSNO/.

  16. Bioinformatic prediction of transcription factor binding sites at promoter regions of genes for photoperiod and vernalization responses in model and temperate cereal plants.

    Science.gov (United States)

    Peng, Fred Y; Hu, Zhiqiu; Yang, Rong-Cai

    2016-08-08

    Many genes involved in responses to photoperiod and vernalization have been characterized or predicted in Arabidopsis (Arabidopsis thaliana), Brachypodium (Brachypodium distachyon), wheat (Triticum aestivum) and barley (Hordeum vulgare). However, little is known about the transcription regulation of these genes, especially in the large, complex genomes of wheat and barley. We identified 68, 60, 195 and 61 genes that are known or postulated to control pathways of photoperiod (PH), vernalization (VE) and pathway integration (PI) in Arabidopsis, Brachypodium, wheat and barley for predicting transcription factor binding sites (TFBSs) in the promoters of these genes using the FIMO motif search tool of the MEME Suite. The initial predicted TFBSs were filtered to confirm the final numbers of predicted TFBSs to be 1066, 1379, 1528, and 789 in Arabidopsis, Brachypodium, wheat and barley, respectively. These TFBSs were mapped onto the PH, VE and PI pathways to infer about the regulation of gene expression in Arabidopsis and cereal species. The GC contents in promoters, untranslated regions (UTRs), coding sequences and introns were higher in the three cereal species than those in Arabidopsis. The predicted TFBSs were most abundant for two transcription factor (TF) families: MADS-box and CSD (cold shock domain). The analysis of publicly available gene expression data showed that genes with similar numbers of MADS-box and CSD TFBSs exhibited similar expression patterns across several different tissues and developmental stages. The intra-specific Tajima D-statistics of TFBS motif diversity showed different binding specificity among different TF families. The inter-specific Tajima D-statistics suggested faster TFBS divergence in TFBSs than in coding sequences and introns. Mapping TFBSs onto the PH, VE and PI pathways showed the predominance of MADS-box and CSD TFBSs in most genes of the four species, and the difference in the pathway regulations between Arabidopsis and the three

  17. Habitat composition and connectivity predicts bat presence and activity at foraging sites in a large UK conurbation.

    Directory of Open Access Journals (Sweden)

    James D Hale

    Full Text Available Urbanization is characterized by high levels of sealed land-cover, and small, geometrically complex, fragmented land-use patches. The extent and density of urbanized land-use is increasing, with implications for habitat quality, connectivity and city ecology. Little is known about densification thresholds for urban ecosystem function, and the response of mammals, nocturnal and cryptic taxa are poorly studied in this respect. Bats (Chiroptera are sensitive to changing urban form at a species, guild and community level, so are ideal model organisms for analyses of this nature.We surveyed bats around urban ponds in the West Midlands conurbation, United Kingdom (UK. Sites were stratified between five urban land classes, representing a gradient of built land-cover at the 1 km(2 scale. Models for bat presence and activity were developed using land-cover and land-use data from multiple radii around each pond. Structural connectivity of tree networks was used as an indicator of the functional connectivity between habitats. All species were sensitive to measures of urban density. Some were also sensitive to landscape composition and structural connectivity at different spatial scales. These results represent new findings for an urban area. The activity of Pipistrellus pipistrellus (Schreber 1774 exhibited a non-linear relationship with the area of built land-cover, being much reduced beyond the threshold of ∼60% built surface. The presence of tree networks appears to mitigate the negative effects of urbanization for this species.Our results suggest that increasing urban density negatively impacts the study species. This has implications for infill development policy, built density targets and the compact city debate. Bats were also sensitive to the composition and structure of the urban form at a range of spatial scales, with implications for land-use planning and management. Protecting and establishing tree networks may improve the resilience of some

  18. Commensal communism and the oral cavity.

    Science.gov (United States)

    Henderson, B; Wilson, M

    1998-09-01

    The world we live in contains unimaginable numbers of bacteria, and these and other single-celled creatures represent the major diversity of life on our planet. During the last decade or so, the complexity and intimacy of the interactions which occur between bacteria and host eukaryotic cells during the process of infection have begun to emerge. The study of such interactions is the subject of the new discipline of cellular microbiology. This intimacy of bacteria/host interactions creates a major paradox. The average human being is 90% bacteria in terms of cell numbers. These bacteria constitute the commensal or normal microflora and populate the mucosal surfaces of the oral cavity, gastrointestinal tract, urogenital tract, and the surface of the skin. In bacterial infections, much of the pathology is due to the release of a range of bacterial components (e.g., modulins such as lipopolysaccharide, peptidoglycan, DNA, molecular chaperones), which induce the synthesis of the local hormone-like molecules known as pro-inflammatory cytokines. However, such components must also be constantly released by the vast numbers of bacteria constituting the normal microflora and, as a consequence, our mucosae should constantly be in a state of inflammation. This is patently not the case, and a hypothesis is forwarded to account for this "commensal paradox", namely, that our commensal bacteria and mucosal surfaces exist in a state of bio-communism, forming a unified "tissue" in which interactions between bacteria and epithelia are finely balanced to ensure bacterial survival and prevent the induction of damaging inflammation. Evidence is emerging that bacteria can produce a variety of proteins which can inhibit the synthesis/release of inflammatory cytokines. The authors predict that such proteins are simply one part of an extensive signaling system which occurs between bacteria and epithelial cells at mucosal surfaces such as those found in the oral cavity.

  19. Temperature Structure of a Coronal Cavity

    Science.gov (United States)

    Kucera, T. A.; Gibson, S. E.; Schmit, D. J.

    2011-01-01

    we analyze the temperature structure of a coronal cavity observed in Aug. 2007. coronal cavities are long, low-density structures located over filament neutral lines and are often seen as dark elliptical features at the solar limb in white light, EUV and x-rays. when these structures erupt they form the cavity portions of CMEs. It is important to establish the temperature structure of cavities in order to understand the thermodynamics of cavities in relation to their three-dimensional magnetic structure. To analyze the temperature we compare temperature ratios of a series of iron lines observed by the Hinode/EUv Imaging spectrometer (EIS). We also use those lines to constrain a forward model of the emission from the cavity and streamer. The model assumes a coronal streamer with a tunnel-like cavity with elliptical cross-section and a Gaussian variation of height along the tunnel lenth. Temperature and density can be varied as a function of altitude both in the cavity and streamer. The general cavity morphology and the cavity and streamer density have already been modeled using data from STEREO's SECCHI/EUVI and Hinode/EIS (Gibson et al 2010 and Schmit & Gibson 2011).

  20. Cancer of the oral cavity.

    Science.gov (United States)

    Montero, Pablo H; Patel, Snehal G

    2015-07-01

    Cancer of the oral cavity is one of the most common malignancies worldwide. Although early diagnosis is relatively easy, presentation with advanced disease is not uncommon. The standard of care is primary surgical resection with or without postoperative adjuvant therapy. Improvements in surgical techniques combined with the routine use of postoperative radiation or chemoradiation therapy have resulted in improved survival. Successful treatment is predicated on multidisciplinary treatment strategies to maximize oncologic control and minimize impact of therapy on form and function. Prevention of oral cancer requires better education about lifestyle-related risk factors, and improved awareness and tools for early diagnosis. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. CAVITY LIKE COMPLETIONS IN WEAK SANDS PREFERRED UPSTREAM MANAGEMENT PRACTICES

    Energy Technology Data Exchange (ETDEWEB)

    Ian Palmer; John McLennan

    2004-04-30

    The technology referred to as Cavity Like Completions (CLC) offers a new technique to complete wells in friable and unconsolidated sands. A successfully designed CLC provides significant increases in well PI (performance index) at lower costs than alternative completion techniques. CLC technology is being developed and documented by a partnership of major oil and gas companies through a GPRI (Global Petroleum Research Institute) joint venture. Through the DOE-funded PUMP program, the experiences of the members of the joint venture will be described for other oil and gas producing companies. To date six examples of CLC completions have been investigated by the JV. The project was performed to introduce a new type of completion (or recompletion) technique to the industry that, in many cases, offers a more cost effective method to produce oil and gas from friable reservoirs. The project's scope of work included: (1) Further develop theory, laboratory and field data into a unified model to predict performance of cavity completion; (2) Perform at least one well test for cavity completion (well provided by one of the sponsor companies); (3) Provide summary of geo-mechanical models for PI increase; and (4) Develop guidelines to evaluate success of potential cavity completion. The project tracks the experiences of a joint industry consortium (GPRI No. 17) over a three year period and compiles results of the activities of this group.

  2. Middle ear cavity morphology is consistent with an aquatic origin for testudines.

    Directory of Open Access Journals (Sweden)

    Katie L Willis

    Full Text Available The position of testudines in vertebrate phylogeny is being re-evaluated. At present, testudine morphological and molecular data conflict when reconstructing phylogenetic relationships. Complicating matters, the ecological niche of stem testudines is ambiguous. To understand how turtles have evolved to hear in different environments, we examined middle ear morphology and scaling in most extant families, as well as some extinct species, using 3-dimensional reconstructions from micro magnetic resonance (MR and submillimeter computed tomography (CT scans. All families of testudines exhibited a similar shape of the bony structure of the middle ear cavity, with the tympanic disk located on the rostrolateral edge of the cavity. Sea Turtles have additional soft tissue that fills the middle ear cavity to varying degrees. When the middle ear cavity is modeled as an air-filled sphere of the same volume resonating in an underwater sound field, the calculated resonances for the volumes of the middle ear cavities largely fell within testudine hearing ranges. Although there were some differences in morphology, there were no statistically significant differences in the scaling of the volume of the bony middle ear cavity with head size among groups when categorized by phylogeny and ecology. Because the cavity is predicted to resonate underwater within the testudine hearing range, the data support the hypothesis of an aquatic origin for testudines, and function of the middle ear cavity in underwater sound detection.

  3. Consequences of habitat change and resource selection specialization for population limitation in cavity-nesting birds

    Science.gov (United States)

    Martin, Thomas E.

    2015-01-01

    Resource selection specialization may increase vulnerability of populations to environmental change. One environmental change that may negatively impact some populations is the broad decline of quaking aspen Populus tremuloides, a preferred nest tree of cavity-nesting organisms who are commonly limited by nest-site availability. However, the long-term consequences of this habitat change for cavity-nesting bird populations are poorly studied.

  4. Ability to predict the development of surgical site infection in cardiac surgery using the Australian Clinical Risk Index versus the National Nosocomial Infections Surveillance-derived Risk Index.

    Science.gov (United States)

    Figuerola-Tejerina, A; Bustamante, E; Tamayo, E; Mestres, C A; Bustamante-Munguira, J

    2017-06-01

    Surgical site infection (SSI) is a major infectious complication that increases mortality, morbidity, and healthcare costs. There are scores attempting to classify patients for calculating SSI risk. Our objectives were to validate the Australian Clinical Risk Index (ACRI) in a European population after cardiac surgery, comparing it against the National Nosocomial Infections Surveillance-derived risk index (NNIS) and analyzing the predictive power of ACRI for SSI in valvular patients. All the patients that who underwent cardiac surgery in a tertiary university hospital between 2011 and 2015 were analyzed. The patients were divided into valvular and coronary groups, excluding mixed patients. The ACRI score was validated in both groups and its ability to predict SSI was compared to the NNIS risk index. We analyzed 1,657 procedures. In the valvular patient group (n: 1119), a correlation between the ACRI score and SSI development (p < 0.05) was found; there was no such correlation with the NNIS index. The area under the receiver-operating characteristic curve (AUC) was 0.64 (confidence interval [CI] 95%, 0.5-0.7) for ACRI and 0.62 (95% CI, 0.5-0.7) for NNIS. In the coronary group (n: 281), there was a correlation between ACRI and SSI but no between NNIS and SSI. The ACRI AUC was 0.70 (95% CI, 0.5-0.8) and the NNIS AUC was 0.60 (95% CI, 0.4-0.7). The ACRI score has insufficient predictive power, although it predicts SSI development better than the NNIS index, fundamentally in coronary artery bypass grafting (CABG). Further studies analyzing determining factors are needed.

  5. Analysis of 30 putative BRCA1 splicing mutations in hereditary breast and ovarian cancer families identifies exonic splice site mutations that escape in silico prediction.

    Directory of Open Access Journals (Sweden)

    Barbara Wappenschmidt

    Full Text Available Screening for pathogenic mutations in breast and ovarian cancer genes such as BRCA1/2, CHEK2 and RAD51C is common practice for individuals from high-risk families. However, test results may be ambiguous due to the presence of unclassified variants (UCV in the concurrent absence of clearly cancer-predisposing mutations. Especially the presence of intronic or exonic variants within these genes that possibly affect proper pre-mRNA processing poses a challenge as their functional implications are not immediately apparent. Therefore, it appears necessary to characterize potential splicing UCV and to develop appropriate classification tools. We investigated 30 distinct BRCA1 variants, both intronic and exonic, regarding their spliceogenic potential by commonly used in silico prediction algorithms (HSF, MaxEntScan along with in vitro transcript analyses. A total of 25 variants were identified spliceogenic, either causing/enhancing exon skipping or activation of cryptic splice sites, or both. Except from a single intronic variant causing minor effects on BRCA1 pre-mRNA processing in our analyses, 23 out of 24 intronic variants were correctly predicted by MaxEntScan, while HSF was less accurate in this cohort. Among the 6 exonic variants analyzed, 4 severely impair correct pre-mRNA processing, while the remaining two have partial effects. In contrast to the intronic alterations investigated, only half of the spliceogenic exonic variants were correctly predicted by HSF and/or MaxEntScan. These data support the idea that exonic splicing mutations are commonly disease-causing and concurrently prone to escape in silico prediction, hence necessitating experimental in vitro splicing analysis.

  6. Output field-quadrature measurements and squeezing in ultrastrong cavity-QED

    Science.gov (United States)

    Stassi, Roberto; Savasta, Salvatore; Garziano, Luigi; Spagnolo, Bernardo; Nori, Franco

    2016-12-01

    We study the squeezing of output quadratures of an electro-magnetic field escaping from a resonator coupled to a general quantum system with arbitrary interaction strengths. The generalized theoretical analysis of output squeezing proposed here is valid for all the interaction regimes of cavity-quantum electrodynamics: from the weak to the strong, ultrastrong, and deep coupling regimes. For coupling rates comparable or larger then the cavity resonance frequency, the standard input-output theory for optical cavities fails to calculate the variance of output field-quadratures and predicts a non-negligible amount of output squeezing, even if the system is in its ground state. Here we show that, for arbitrary interaction strength and for general cavity-embedded quantum systems, no squeezing can be found in the output-field quadratures if the system is in its ground state. We also apply the proposed theoretical approach to study the output squeezing produced by: (i) an artificial two-level atom embedded in a coherently-excited cavity; and (ii) a cascade-type three-level system interacting with a cavity field mode. In the latter case the output squeezing arises from the virtual photons of the atom-cavity dressed states. This work extends the possibility of predicting and analyzing the results of continuous-variable optical quantum-state tomography when optical resonators interact very strongly with other quantum systems.

  7. Benign tumors and tumor-like lesions of the oral cavity and jaws: An ...

    African Journals Online (AJOL)

    Purpose: The purpose was to examine the prevalence, gender, age and site(s) of odontogenic and nonodontogenic benign tumors, and tumor‑like lesions occurring in the oral cavity and jaws in a Turkish population, particularly, in the Eastern Turkey, and to compare findings of this study with other reports. Materials and ...

  8. Theoretical investigation of anomalously high efficiency in a three cavity gyroklystron amplifier

    International Nuclear Information System (INIS)

    Latham, P.E.; Koc, U.V.; Main, W.; Tantawi, S.G.

    1992-01-01

    The University of Maryland's three cavity gyroklystron amplifier operating at a frequency of 10 GHz, voltage of 425 kV, current of 160 A, and pitch angle (v perpendicular/v z ) near .82, has demonstrated an efficiency of 35%. The author's simulations using fixed field profiles predict a significantly lower efficiency, primarily because of the small pitch angle in the experiment. They will be investigating two methods of improving the efficiency in their simulations: Beam-wave interaction after the output cavity, and modification of the first two cavity Qs due to beam loading. Results of their nonlinear code will be given for both cases

  9. Conversion of localized lower hybrid oscillations and fast magnetosonic waves at a plasma density cavity

    International Nuclear Information System (INIS)

    Hall, J.O.

    2004-01-01

    Analytic expressions are presented for conversion of localized lower hybrid oscillations and magnetosonic waves by scattering off a small scale density cavity. The governing equations are solved in slab geometry with wave vectors perpendicular to both the ambient magnetic field and the density gradient associated with density cavity using a scale length separation method. The theory predicts strong excitation of localized lower hybrid oscillations for a set of frequencies between the lower hybrid frequency of the ambient plasma and the minimum lower hybrid frequency inside the cavity. The theory is relevant for the lower hybrid solitary structures observed in space plasmas

  10. Rebuild of Capture Cavity 1 at Fermilab

    Energy Technology Data Exchange (ETDEWEB)

    Harms, E. [Fermilab; Arkan, T. [Fermilab; Borissov, E. [Fermilab; Dhanaraj, N. [Fermilab; Hocker, A. [Fermilab; Orlov, Y. [Fermilab; Peterson, T. [Fermilab; Premo, K. [Fermilab

    2014-01-01

    The front end of the proposed Advanced Superconducting Test Accelerator at Fermilab employs two single cavity cryomodules, known as 'Capture Cavity 1' and 'Capture Cavity 2', for the first stage of acceleration. Capture Cavity 1 was previously used as the accelerating structure for the A0 Photoinjector to a peak energy of ~14 MeV. In its new location a gradient of ~25 MV/m is required. This has necessitated a major rebuild of the cryomodule including replacement of the cavity with a higher gradient one. Retrofitting the cavity and making upgrades to the module required significant redesign. The design choices and their rationale, summary of the rebuild, and early test results are presented.

  11. Cantilever piezoelectric energy harvester with multiple cavities

    International Nuclear Information System (INIS)

    S Srinivasulu Raju; M Umapathy; G Uma

    2015-01-01

    Energy harvesting employing piezoelectric materials in mechanical structures such as cantilever beams, plates, diaphragms, etc, has been an emerging area of research in recent years. The research in this area is also focused on structural tailoring to improve the harvested power from the energy harvesters. Towards this aim, this paper presents a method for improving the harvested power from a cantilever piezoelectric energy harvester by introducing multiple rectangular cavities. A generalized model for a piezoelectric energy harvester with multiple rectangular cavities at a single section and two sections is developed. A method is suggested to optimize the thickness of the cavities and the number of cavities required to generate a higher output voltage for a given cantilever beam structure. The performance of the optimized energy harvesters is evaluated analytically and through experimentation. The simulation and experimental results show that the performance of the energy harvester can be increased with multiple cavities compared to the harvester with a single cavity. (paper)

  12. Unique space saving accelerator cavity design

    International Nuclear Information System (INIS)

    Kim, H.; Fugitt, J.; Crosby, F.; Johnson, R.

    1981-03-01

    A cavity with 3 series gaps was designed and modeled to operate at 70 MHz as a SuperHILAC post acceleration buncher (8.5 MeV/A). Because of a cross-coupling scheme, the 3 cells operate in the 1/2 β lambda mode instead of the β lambda mode of an Alvarez cavity. This coupling results in a cavity with diameter reduced from 3 to less than one meter and a length half that of an Alvarez cavity for the same energy gain. The 3 gaps are electrically in parallel but mechanically in series. The cavity has high Q and shunt impedance. This type of cavity appears to be useful for low velocity beams with β less than or equal to 0.2

  13. Design of 325 MHz spoke cavity

    International Nuclear Information System (INIS)

    Sha Peng; Huang Hong; Dai Jianping; Zu Guoquan; Li Han

    2012-01-01

    Spoke cavity can be used in the low-energy section of the proton accelerator. It has many significant advantages: compact structure, high value of R/Q, etc. The ADS (Accelerator Driven System) project will adopt many spoke cavities with different β values. Therefore, IHEP has began the research of β=0.14, 325 MHz spoke cavity. In this pa per, the dimensions, RF performances and mechanical properties of it are studied. (authors)

  14. Induced Cavities for Photonic Quantum Gates

    Science.gov (United States)

    Lahad, Ohr; Firstenberg, Ofer

    2017-09-01

    Effective cavities can be optically induced in atomic media and employed to strengthen optical nonlinearities. Here we study the integration of induced cavities with a photonic quantum gate based on Rydberg blockade. Accounting for loss in the atomic medium, we calculate the corresponding finesse and gate infidelity. Our analysis shows that the conventional limits imposed by the blockade optical depth are mitigated by the induced cavity in long media, thus establishing the total optical depth of the medium as a complementary resource.

  15. 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

    In the changing environment of the Late Glacial Interstadial Complex, the cataclysmic eruption of Laacher See volcano (c. 13,000 BP) in the Eifel in Western Germany had a dramatic effect on the daily life of Late Palaeolithic foragers (Riede, 2017). Large proportions of the Laacher See Tephra (LST...... 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...... for subsequent excavation. References Hofbauer, H. (1995). Abri-Kataster von Hessen: Ein Vorbericht. Berichte der Kommission für Archäologische Landesforschung in Hessen, 3, 99-105. Riede, F. (2017). Splendid Isolation: The Eruption of the Laacher See Volcano & Southern Scandinavian Late Glacial Hunter...

  16. Novel Geometries for the LHC CRAB Cavity

    CERN Document Server

    Hall, Ben

    2010-01-01

    In 2017 the LHC is envisioned to increase its luminosity via an upgrade. This upgrade is likely to require a large crossing angle hence a crab cavity is required to align the bunches prior to collision. There are two possible schemes for crab cavity implementation, global and local. In a global crab cavity the crab cavity is far from the IP and the bunch rotates back and forward as it traverses around the accelerator in a closed orbit. For this scheme a two-cell elliptical squashed cavity at 800 MHz is preferred. To avoid any potential beam instabilities all the parasitic modes of the cavities must be damped strongly, however crab cavities have lower order and same order modes in addition to the usual higher order modes and hence a novel damping scheme must be used to provide sufficient damping of these modes. In the local scheme two crab cavities are placed at each side of the IP two start and stop rotation of the bunches. This would require crab cavities much smaller transversely than in the global scheme b...

  17. Mechanical Properties of Ingot Nb Cavities

    Energy Technology Data Exchange (ETDEWEB)

    Ciovati, Gianluigi; Dhakal, Pashupati; Kneisel, Peter; Mammosser, John; Matalevich, Joseph; Rao Myneni, Ganapati

    2014-07-01

    This contribution presents the results of measurements of the resonant frequency and of strain along the contour of a single-cell cavity made of ingot Nb subjected to increasing uniform differential pressure, up to 6 atm. The data were used to infer mechanical properties of this material after cavity fabrication, by comparison with the results from simulation calculations done with ANSYS. The objective is to provide useful information about the mechanical properties of ingot Nb cavities which can be used in the design phase of SRF cavities intended to be built with this material.

  18. Superconducting niobium cavity with cooling fins

    International Nuclear Information System (INIS)

    Isagawa, Shigeru.

    1978-04-01

    Cooling efficiency of a superconducting cavity is shown to be improved by applying a fin structure. Internal heating can be suppressed in a certain degree and the higher rf field is expected to be reached on surfaces of the cavity which is immersed in superfluid He 4 liquid. The rf measurements were made on a C-band niobium cavity with cylindrical and circular fins around the wall. Fields of 39 mT and 25 MV/m were attained for TM 010 mode cavity after surface treatments including high temperature annealing in a UHV furnace. (auth.)

  19. Design of the ILC Crab Cavity System

    Energy Technology Data Exchange (ETDEWEB)

    Adolphsen, C.; Beard, C.; Bellantoni, L.; Burt, G.; Carter, R.; Chase, B.; Church, M.; Dexter, A.; Dykes, M.; Edwards, H.; Goudket, P; Jenkins, R.; Jones, R.M.; Kalinin,; Khabiboulline, T.; Ko, K.; Latina, A.; Li, Z.; Ma, L.; McIntosh, P.; Ng, C.; /SLAC /Daresbury /Fermilab /Cockcroft Inst. Accel. Sci. Tech. /CERN

    2007-08-15

    The International Linear Collider (ILC) has a 14 mrad crossing angle in order to aid extraction of spent bunches. As a result of the bunch shape at the interaction point, this crossing angle at the collision causes a large luminosity loss which can be recovered by rotating the bunches prior to collision using a crab cavity. The ILC baseline crab cavity is a 9-cell superconducting dipole cavity operating at a frequency of 3.9 GHz. In this paper the design of the ILC crab cavity and its phase control system, as selected for the RDR in February 2007 is described in fuller detail.

  20. Prediction of Post-Closure Water Balance for Monolithic Soil Covers at Waste Disposal Sites in the Greater Accra Metropolitan Area of Ghana

    Directory of Open Access Journals (Sweden)

    Kodwo Beedu Keelson

    2014-04-01

    Full Text Available The Ghana Landfill Guidelines require the provision of a final cover system during landfill closure as a means of minimizing the harmful environmental effects of uncontrolled leachate discharges. However, this technical manual does not provide explicit guidance on the material types or configurations that would be suitable for the different climatic zones in Ghana. The aim of this study was to simulate and predict post-closure landfill cover water balance for waste disposal sites located in the Greater Accra Metropolitan Area using the USGS Thornthwaite monthly water balance computer program. Five different cover soil types were analyzed under using historical climatic data for the metropolis from 1980 to 2001. The maximum annual percolation and evapotranspiration rates for the native soil type were 337 mm and 974 mm respectively. Monthly percolation rates exhibited a seasonal pattern similar to the bimodal precipitation regime whereas monthly evapotranspiration did not. It was also observed that even though soils with a high clay content would be the most suitable option as landfill cover material in the Accra metropolis the maximum thickness of 600 mm recommended in the Ghana Landfill Guidelines do not seem to provide significant reduction in percolation rates into the buried waste mass when the annual rainfall exceeds 700 mm. The findings from this research should provide additional guidance to landfill managers on the specification of cover designs for waste disposal sites with similar climatic conditions.

  1. Structure/functional aspects of the human riboflavin transporter-3 (SLC52A3): role of the predicted glycosylation and substrate-interacting sites.

    Science.gov (United States)

    Subramanian, Veedamali S; Sabui, Subrata; Teafatiller, Trevor; Bohl, Jennifer A; Said, Hamid M

    2017-08-01

    The human riboflavin (RF) transporter-3 (hRFVT-3; product of the SLC52A3 gene) plays an essential role in the intestinal RF absorption process and is expressed exclusively at the apical membrane domain of polarized enterocytes. Previous studies have characterized different physiological/biological aspects of this transporter, but nothing is known about the glycosylation status of the hRFVT-3 protein and role of this modification in its physiology/biology. Additionally, little is known about the residues in the hRFVT-3 protein that interact with the ligand, RF. We addressed these issues using appropriate biochemical/molecular approaches, a protein-docking model, and established intestinal/renal epithelial cells. Our results showed that the hRFVT-3 protein is glycosylated and that glycosylation is important for its function. Mutating the predicted N -glycosylation sites at Asn 94 and Asn 168 led to a significant decrease in RF uptake; it also led to a marked intracellular (in the endoplasmic reticulum, ER) retention of the mutated proteins as shown by live-cell confocal imaging studies. The protein-docking model used in this study has identified a number of putative substrate-interacting sites: Ser 16 , Ile 20 , Trp 24 , Phe 142 , Thr 314 , and Asn 315 Mutating these potential interacting sites was indeed found to lead to a significant inhibition in RF uptake and to intracellular (ER) retention of the mutated proteins (except for the Phe 142 mutant). These results demonstrate that the hRFVT-3 protein is glycosylated and this glycosylation is important for its function and cell surface expression. This study also identified a number of residues in the hRFVT-3 polypeptide that are important for its function/cell surface expression.

  2. Proton Magnetic Resonance Spectroscopic Imaging in Newly Diagnosed Glioblastoma: Predictive Value for the Site of Postradiotherapy Relapse in a Prospective Longitudinal Study

    International Nuclear Information System (INIS)

    Laprie, Anne; Catalaa, Isabelle; Cassol, Emmanuelle; McKnight, Tracy R.; Berchery, Delphine; Marre, Delphine; Bachaud, Jean-Marc; Berry, Isabelle; Moyal, Elizabeth Cohen-Jonathan

    2008-01-01

    Purpose: To investigate the association between magnetic resonance spectroscopic imaging (MRSI)-defined, metabolically abnormal tumor regions and subsequent sites of relapse in data from patients treated with radiotherapy (RT) in a prospective clinical trial. Methods and Materials: Twenty-three examinations were performed prospectively for 9 patients with newly diagnosed glioblastoma multiforme studied in a Phase I trial combining Tipifarnib and RT. The patients underwent magnetic resonance imaging (MRI) and MRSI before treatment and every 2 months until relapse. The MRSI data were categorized by the choline (Cho)/N-acetyl-aspartate (NAA) ratio (CNR) as a measure of spectroscopic abnormality. CNRs corresponding to T1 and T2 MRI for 1,207 voxels were evaluated before RT and at recurrence. Results: Before treatment, areas of CNR2 (CNR ≥2) represented 25% of the contrast-enhancing (T1CE) regions and 10% of abnormal T2 regions outside T1CE (HyperT2). The presence of CNR2 was often an early indicator of the site of relapse after therapy. In fact, 75% of the voxels within the T1CE+CNR2 before therapy continued to exhibit CNR2 at relapse, compared with 22% of the voxels within the T1CE with normal CNR (p < 0.05). The location of new contrast enhancement with CNR2 corresponded in 80% of the initial HyperT2+CNR2 vs. 20.7% of the HyperT2 voxels with normal CNR (p < 0.05). Conclusion: Metabolically active regions represented a small percentage of pretreatment MRI abnormalities and were predictive for the site of post-RT relapse. The incorporation of MRSI data in the definition of RT target volumes for selective boosting may be a promising avenue leading to increased local control of glioblastomas

  3. Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

    Science.gov (United States)

    Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

    2016-12-12

    For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. A new flooding correlation development and its critical heat flux predictions under low air-water flow conditions in Savannah River Site assembly channels

    International Nuclear Information System (INIS)

    Lee, S.Y.

    1993-01-01

    The upper limit to countercurrent flow, namely, flooding, is important to analyze the reactor coolability during an emergency cooling system (ECS) phase as a result of a large-break loss-of-coolant accident (LOCA) such as a double-ended guillotine break in the Savannah River Site (SRS) reactor system. During normal operation, the reactor coolant system utilizes downward flow through concentric heated tubes with ribs, which subdivided each annular channel into four subchannels. In this paper, a new flooding correlation has been developed based on the analytical models and literature data for adiabatic, steady-state, one-dimensional, air-water flow to predict flooding phenomenon in the SRS reactor assembly channel, which may have a counter-current air-water flow pattern during the ECS phase. In addition, the correlation was benchmarked against the experimental data conducted under the Oak Ridge National Laboratory multislit channel, which is close to the SRS assembly geometry. Furthermore, the correlation has also been used as a constitutive relationship in a new two-component two-phase thermal-hydraulics code FLOWTRAN-TF, which has been developed for a detailed analysis of SRS reactor assembly behavior during LOCA scenarios. Finally, the flooding correlation was applied to the predictions of critical heat flux, and the results were compared with the data taken by the SRS heat transfer laboratory under a single annular channel with ribs and a multiannular prototypic test rig

  5. Exploring the predicted effect of social networking site use on perceived social capital and psychological well-being of Chinese international students in Japan.

    Science.gov (United States)

    Guo, Yu; Li, Yiwei; Ito, Naoya

    2014-01-01

    This study investigated how social networking sites (SNSs) use by Chinese international students in Japan influenced their perceived social capital and psychological well-being. In addition, it examined how, as sojourners, Chinese international students' perceived acculturative stress varied. Data were collected from 142 Chinese international students. The results indicated that the intensity of SNS use was unable to predict individuals' perceived social capital and psychological well-being. The effect of SNS use varied according to the functions it serves. Specifically, SNS use for social and informational functions (SIF) increased individuals' levels of perceived bridging social capital and perceived life satisfaction, while SNS use for entertaining recreational functions (ERF) was unable to predict perceived social capital but increased individuals' levels of loneliness. It was also found that, in the intercultural environment, Chinese international students' levels of perceived acculturative stress were decreased by their perceived bonding social capital and increased by their perceived loneliness but had no relationship with their SNS use. Findings of the study suggest that individuals using SNSs to stay informed and connected will benefit with regard to their social network building and psychological well-being.

  6. Using the natural evolution of a rotavirus-specific human monoclonal antibody to predict the complex topography of a viral antigenic site

    Science.gov (United States)

    McKinney, Brett A; Kallewaard, Nicole L; Crowe, James E; Meiler, Jens

    2007-01-01

    Background Understanding the interaction between viral proteins and neutralizing antibodies at atomic resolution is hindered by a lack of experimentally solved complexes. Progress in computational docking has led to the prediction of increasingly high-quality model antibody-antigen complexes. The accuracy of atomic-level docking predictions is improved when integrated with experimental information and expert knowledge. Methods Binding affinity data associated with somatic mutations of a rotavirus-specific human adult antibody (RV6-26) are used to filter potential docking orientations of an antibody homology model with respect to the rotavirus VP6 crystal structure. The antibody structure is used to probe the VP6 trimer for candidate interface residues. Results Three conformational epitopes are proposed. These epitopes are candidate antigenic regions for site-directed mutagenesis of VP6, which will help further elucidate antigenic function. A pseudo-atomic resolution RV6-26 antibody-VP6 complex is proposed consistent with current experimental information. Conclusion The use of mutagenesis constraints in docking calculations allows for the identification of a small number of alternative arrangements of the antigen-antibody interface. The mutagenesis information from the natural evolution of a neutralizing antibody can be used to discriminate between residue-scale models and create distance constraints for atomic-resolution docking. The integration of binding affinity data or other information with computation may be an advantageous approach to assist peptide engineering or therapeutic antibody design. PMID:17877819

  7. Protein-like proton exchange in a synthetic host cavity.

    Science.gov (United States)

    Hart-Cooper, William M; Sgarlata, Carmelo; Perrin, Charles L; Toste, F Dean; Bergman, Robert G; Raymond, Kenneth N

    2015-12-15

    The mechanism of proton exchange in a metal-ligand enzyme active site mimic (compound 1) is described through amide hydrogen-deuterium exchange kinetics. The type and ratio of cationic guest to host in solution affect the rate of isotope exchange, suggesting that the rate of exchange is driven by a host whose cavity is occupied by water. Rate constants for acid-, base-, and water-mediated proton exchange vary by orders of magnitude depending on the guest, and differ by up to 200 million-fold relative to an alanine polypeptide. These results suggest that the unusual microenvironment of the cavity of 1 can dramatically alter the reactivity of associated water by magnitudes comparable to that of enzymes.

  8. X-ray and gamma ray waveguide, cavity and method

    International Nuclear Information System (INIS)

    Vali, V.; Krogstad, R.S.; Willard, H.R.

    1978-01-01

    An x-ray and gamma ray waveguide, cavity, and method for directing electromagnetic radiation of the x-ray, gamma ray, and extreme ultraviolet wavelengths are described. A hollow fiber is used as the waveguide and is manufactured from a material having an index of refraction less than unity for these wavelengths. The internal diameter of the hollow fiber waveguide and the radius of curvature for the waveguide are selectively predetermined in light of the wavelength of the transmitted radiation to minimize losses. The electromagnetic radiation is obtained from any suitable source ad upon introduction into the waveguide is transmitted along a curvilinear path. The waveguide may be formed as a closed loop to create a cavity or may be used to direct the electromagnetic radiation to a utilization site

  9. Numerical Analysis of Turbulent Natural Convection In A Cavity

    Science.gov (United States)

    Omri, Mohamed; Galanis, Nicolas

    2007-11-01

    CFD codes are used extensively to analyse complex flow fields with heat and/or mass transfer, chemical reactions, etc. It is therefore necessary to continuously compare their predictions with experimental values in order to test their validity and eventually improve them. In this work, numerical predictions of turbulent natural convection in a square differentially heated cavity are analysed. Results are confronted to the detailed experimental data of [2] and [1] obtained with a Rayleigh number of 1.5x10^9. The purpose of this study is to evaluate the capacity of second order models to reproduce mean and fluctuating quantities. Thus, we first analyse mean velocities and mean temperature profiles. Then particular attention is given to turbulent quantities. Also, we compare the local Nusselt number along the four walls with the corresponding experimental values. Moreover five different grids are used (50x50, 100x100x100, 150x150, 200x200 and 300x300) to analyse grid-sensitivity. [1] Ampofo F.; Karayiannis T.G. (2003). Experimental benchmark data for turbulent natural convection in an air filled square cavity. Int. J. Heat and Mass Transfer. [2] Tian Y.S.; Karayiannis T.G. (2000) Low turbulence natural convection in an air filled square cavity. Int. J. of Heat and Mass Transfer.

  10. Epithelial Dysplasia in Oral Cavity

    Directory of Open Access Journals (Sweden)

    Samaneh Shirani

    2014-09-01

    Full Text Available Among oral lesions, we encounter a series of malignant epithelial lesions that go through clinical and histopathologic processes in order to be diagnosed. Identifying these processes along with the etiology knowledge of these lesions is very important in prevention and early treatments. Dysplasia is the step preceding the formation of squamous cell carcinoma in lesions which have the potential to undergo dysplasia. Identification of etiological factors, clinical and histopathologic methods has been the topic of many articles. This article, reviews various articles presenting oral cavity dysplasia, new clinical methods of identifying lesions, and the immunohistochemical research which proposes various markers for providing more precise identification of such lesions. This article also briefly analyzes new treatment methods such as tissue engineering.

  11. Hydrodynamic Drag on Streamlined Projectiles and Cavities

    KAUST Repository

    Jetly, Aditya

    2016-04-19

    The air cavity formation resulting from the water-entry of solid objects has been the subject of extensive research due to its application in various fields such as biology, marine vehicles, sports and oil and gas industries. Recently we demonstrated that at certain conditions following the closing of the air cavity formed by the initial impact of a superhydrophobic sphere on a free water surface a stable streamlined shape air cavity can remain attached to the sphere. The formation of superhydrophobic sphere and attached air cavity reaches a steady state during the free fall. In this thesis we further explore this novel phenomenon to quantify the drag on streamlined shape cavities. The drag on the sphere-cavity formation is then compared with the drag on solid projectile which were designed to have self-similar shape to that of the cavity. The solid projectiles of adjustable weight were produced using 3D printing technique. In a set of experiments on the free fall of projectile we determined the variation of projectiles drag coefficient as a function of the projectiles length to diameter ratio and the projectiles specific weight, covering a range of intermediate Reynolds number, Re ~ 104 – 105 which are characteristic for our streamlined cavity experiments. Parallel free fall experiment with sphere attached streamlined air cavity and projectile of the same shape and effective weight clearly demonstrated the drag reduction effect due to the stress-free boundary condition at cavity liquid interface. The streamlined cavity experiments can be used as the upper bound estimate of the drag reduction by air layers naturally sustained on superhydrophobic surfaces in contact with water. In the final part of the thesis we design an experiment to test the drag reduction capacity of robust superhydrophobic coatings deposited on the surface of various model vessels.

  12. Temperature stabilization of optofluidic photonic crystal cavities

    DEFF Research Database (Denmark)

    Kamutsch, Christian; Smith, Cameron L.C.; Graham, Alexandra

    2009-01-01

    demonstrate a PhC cavity with a quality factor of Q15 000 that exhibits a temperature-independent resonance. Temperature-stable cavities constitute a major building block in the development of a large suite of applications from high-sensitivity sensor systems for chemical and biomedical applications...

  13. Tooth structure and fracture strength of cavities

    DEFF Research Database (Denmark)

    Mondelli, José; Sene, Fábio; Ramos, Renata Pereira

    2007-01-01

    This study evaluated, in vitro, the loss of tooth substance after cavity preparation for direct and indirect restorations and its relationship with fracture strength of the prepared teeth. Sixty sound human maxillary first premolars were assigned to 6 groups (n=10). MOD direct composite cavities...

  14. Superconducting rf cavities for accelerator application

    International Nuclear Information System (INIS)

    Proch, D.

    1988-01-01

    The subject of this paper is a review of superconducting cavities for accelerator application (β = 1). The layout of a typical accelerating unit is described and important parameters are discussed. Recent cavity measurements and storage ring beam tests are reported and the present state of the art is summarized

  15. Telescopic Examination of the mastoid Cavity

    OpenAIRE

    Bhandari, Anita; Sharma, Man Prakash; Bapna, A. S.

    1998-01-01

    Otoendoscopy enables viewing of different angles of the tympanomastoid area and approach to them for better prognosis. A comparative study of post-operative mastoid cavities has been done using the Hopkin’s rod telescope, Otoscope and microscope. Various procedures have also been done successfully on the mastoid cavity using the telescope on an outdoor basis.

  16. Toroidal 12 cavity klystron : a novel approach

    International Nuclear Information System (INIS)

    Hazarika, A.B.R.

    2013-01-01

    A toroidal 12 cavity klystron is designed to provide with high energy power with the high frequency microwave RF- plasma generated from it. The cavities are positioned in clock hour positions. The theoretical modeling and designing is done to study the novel approach. (author)

  17. Prototype storage cavity for LEP accelerating RF

    CERN Multimedia

    CERN PhotoLab

    1980-01-01

    The principle of an RF storage cavity was demonstrated with this prototype, working at 500 MHz. The final storage cavities were larger, to suit the LEP accelerating frequency of 352.2 MHz. Cu-tubes for watercooling are brazed onto the upper half, the lower half is to follow. See also 8006061, 8109346, 8407619X, and Annual Report 1980, p.115.