A two-stage approach for improved prediction of residue contact maps

Directory of Open Access Journals (Sweden)

Pollastri Gianluca

2006-03-01

Full Text Available Abstract Background Protein topology representations such as residue contact maps are an important intermediate step towards ab initio prediction of protein structure. Although improvements have occurred over the last years, the problem of accurately predicting residue contact maps from primary sequences is still largely unsolved. Among the reasons for this are the unbalanced nature of the problem (with far fewer examples of contacts than non-contacts, the formidable challenge of capturing long-range interactions in the maps, the intrinsic difficulty of mapping one-dimensional input sequences into two-dimensional output maps. In order to alleviate these problems and achieve improved contact map predictions, in this paper we split the task into two stages: the prediction of a map's principal eigenvector (PE from the primary sequence; the reconstruction of the contact map from the PE and primary sequence. Predicting the PE from the primary sequence consists in mapping a vector into a vector. This task is less complex than mapping vectors directly into two-dimensional matrices since the size of the problem is drastically reduced and so is the scale length of interactions that need to be learned. Results We develop architectures composed of ensembles of two-layered bidirectional recurrent neural networks to classify the components of the PE in 2, 3 and 4 classes from protein primary sequence, predicted secondary structure, and hydrophobicity interaction scales. Our predictor, tested on a non redundant set of 2171 proteins, achieves classification performances of up to 72.6%, 16% above a base-line statistical predictor. We design a system for the prediction of contact maps from the predicted PE. Our results show that predicting maps through the PE yields sizeable gains especially for long-range contacts which are particularly critical for accurate protein 3D reconstruction. The final predictor's accuracy on a non-redundant set of 327 targets is 35

Toward High Carrier Mobility and Low Contact Resistance:Laser Cleaning of PMMA Residues on Graphene Surfaces

Institute of Scientific and Technical Information of China (English)

Yuehui Jia; Xin Gong; Pei Peng; Zidong Wang; Zhongzheng Tian; Liming Ren; Yunyi Fu; Han Zhang

2016-01-01

Poly(methyl methacrylate)(PMMA) is widely used for graphene transfer and device fabrication.However,it inevitably leaves a thin layer of polymer residues after acetone rinsing and leads to dramatic degradation of device performance.How to eliminate contamination and restore clean surfaces of graphene is still highly demanded.In this paper,we present a reliable and position-controllable method to remove the polymer residues on graphene films by laser exposure.Under proper laser conditions,PMMA residues can be substantially reduced without introducing defects to the underlying graphene.Furthermore,by applying this laser cleaning technique to the channel and contacts of graphene fieldeffect transistors(GFETs),higher carrier mobility as well as lower contact resistance can be realized.This work opens a way for probing intrinsic properties of contaminant-free graphene and fabricating high-performance GFETs with both clean channel and intimate graphene/metal contact.

Ranking multiple docking solutions based on the conservation of inter-residue contacts

KAUST Repository

Oliva, Romina M.; Vangone, Anna; Cavallo, Luigi

2013-01-01

) conformations in the top positions is still an open problem. Herein we present CONSRANK, a simple and effective tool to rank multiple docking solutions, which relies on the conservation of inter-residue contacts in the analyzed decoys ensemble. First

Taking advantage of local structure descriptors to analyze interresidue contacts in protein structures and protein complexes.

Science.gov (United States)

Martin, Juliette; Regad, Leslie; Etchebest, Catherine; Camproux, Anne-Claude

2008-11-15

Interresidue protein contacts in proteins structures and at protein-protein interface are classically described by the amino acid types of interacting residues and the local structural context of the contact, if any, is described using secondary structures. In this study, we present an alternate analysis of interresidue contact using local structures defined by the structural alphabet introduced by Camproux et al. This structural alphabet allows to describe a 3D structure as a sequence of prototype fragments called structural letters, of 27 different types. Each residue can then be assigned to a particular local structure, even in loop regions. The analysis of interresidue contacts within protein structures defined using Voronoï tessellations reveals that pairwise contact specificity is greater in terms of structural letters than amino acids. Using a simple heuristic based on specificity score comparison, we find that 74% of the long-range contacts within protein structures are better described using structural letters than amino acid types. The investigation is extended to a set of protein-protein complexes, showing that the similar global rules apply as for intraprotein contacts, with 64% of the interprotein contacts best described by local structures. We then present an evaluation of pairing functions integrating structural letters to decoy scoring and show that some complexes could benefit from the use of structural letter-based pairing functions.

Statistical physics of pairwise probability models

Directory of Open Access Journals (Sweden)

Yasser Roudi

2009-11-01

Full Text Available Statistical models for describing the probability distribution over the states of biological systems are commonly used for dimensional reduction. Among these models, pairwise models are very attractive in part because they can be fit using a reasonable amount of data: knowledge of the means and correlations between pairs of elements in the system is sufficient. Not surprisingly, then, using pairwise models for studying neural data has been the focus of many studies in recent years. In this paper, we describe how tools from statistical physics can be employed for studying and using pairwise models. We build on our previous work on the subject and study the relation between different methods for fitting these models and evaluating their quality. In particular, using data from simulated cortical networks we study how the quality of various approximate methods for inferring the parameters in a pairwise model depends on the time bin chosen for binning the data. We also study the effect of the size of the time bin on the model quality itself, again using simulated data. We show that using finer time bins increases the quality of the pairwise model. We offer new ways of deriving the expressions reported in our previous work for assessing the quality of pairwise models.

CONSRANK: a server for the analysis, comparison and ranking of docking models based on inter-residue contacts

KAUST Repository

Chermak, Edrisse

2014-12-21

Summary: Herein, we present CONSRANK, a web tool for analyzing, comparing and ranking protein–protein and protein–nucleic acid docking models, based on the conservation of inter-residue contacts and its visualization in 2D and 3D interactive contact maps.

CONSRANK: a server for the analysis, comparison and ranking of docking models based on inter-residue contacts

KAUST Repository

Chermak, Edrisse; Petta, A.; Serra, L.; Vangone, A.; Scarano, V.; Cavallo, Luigi; Oliva, R.

2014-01-01

Summary: Herein, we present CONSRANK, a web tool for analyzing, comparing and ranking protein–protein and protein–nucleic acid docking models, based on the conservation of inter-residue contacts and its visualization in 2D and 3D interactive contact maps.

[Interlaboratory Study on Evaporation Residue Test for Food Contact Products (Report 1)].

Science.gov (United States)

Ohno, Hiroyuki; Mutsuga, Motoh; Abe, Tomoyuki; Abe, Yutaka; Amano, Homare; Ishihara, Kinuyo; Ohsaka, Ikue; Ohno, Haruka; Ohno, Yuichiro; Ozaki, Asako; Kakihara, Yoshiteru; Kobayashi, Hisashi; Sakuragi, Hiroshi; Shibata, Hiroshi; Shirono, Katsuhiro; Sekido, Haruko; Takasaka, Noriko; Takenaka, Yu; Tajima, Yoshiyasu; Tanaka, Aoi; Tanaka, Hideyuki; Tonooka, Hiroyuki; Nakanishi, Toru; Nomura, Chie; Haneishi, Nahoko; Hayakawa, Masato; Miura, Toshihiko; Yamaguchi, Miku; Watanabe, Kazunari; Sato, Kyoko

2018-01-01

An interlaboratory study was performed to evaluate the equivalence between an official method and a modified method of evaporation residue test using three food-simulating solvents (water, 4% acetic acid and 20% ethanol), based on the Japanese Food Sanitation Law for food contact products. Twenty-three laboratories participated, and tested the evaporation residues of nine test solutions as blind duplicates. For evaporation, a water bath was used in the official method, and a hot plate in the modified method. In most laboratories, the test solutions were heated until just prior to evaporation to dryness, and then allowed to dry under residual heat. Statistical analysis revealed that there was no significant difference between the two methods, regardless of the heating equipment used. Accordingly, the modified method provides performance equal to the official method, and is available as an alternative method.

ComplexContact: a web server for inter-protein contact prediction using deep learning

KAUST Repository

Zeng, Hong; Wang, Sheng; Zhou, Tianming; Zhao, Feifeng; Li, Xiufeng; Wu, Qing; Xu, Jinbo

2018-01-01

ComplexContact (http://raptorx2.uchicago.edu/ComplexContact/) is a web server for sequence-based interfacial residue-residue contact prediction of a putative protein complex. Interfacial residue-residue contacts are critical for understanding how proteins form complex and interact at residue level. When receiving a pair of protein sequences, ComplexContact first searches for their sequence homologs and builds two paired multiple sequence alignments (MSA), then it applies co-evolution analysis and a CASP-winning deep learning (DL) method to predict interfacial contacts from paired MSAs and visualizes the prediction as an image. The DL method was originally developed for intra-protein contact prediction and performed the best in CASP12. Our large-scale experimental test further shows that ComplexContact greatly outperforms pure co-evolution methods for inter-protein contact prediction, regardless of the species.

ComplexContact: a web server for inter-protein contact prediction using deep learning

KAUST Repository

Zeng, Hong

2018-05-20

ComplexContact (http://raptorx2.uchicago.edu/ComplexContact/) is a web server for sequence-based interfacial residue-residue contact prediction of a putative protein complex. Interfacial residue-residue contacts are critical for understanding how proteins form complex and interact at residue level. When receiving a pair of protein sequences, ComplexContact first searches for their sequence homologs and builds two paired multiple sequence alignments (MSA), then it applies co-evolution analysis and a CASP-winning deep learning (DL) method to predict interfacial contacts from paired MSAs and visualizes the prediction as an image. The DL method was originally developed for intra-protein contact prediction and performed the best in CASP12. Our large-scale experimental test further shows that ComplexContact greatly outperforms pure co-evolution methods for inter-protein contact prediction, regardless of the species.

ComplexContact: a web server for inter-protein contact prediction using deep learning.

Science.gov (United States)

Zeng, Hong; Wang, Sheng; Zhou, Tianming; Zhao, Feifeng; Li, Xiufeng; Wu, Qing; Xu, Jinbo

2018-05-22

ComplexContact (http://raptorx2.uchicago.edu/ComplexContact/) is a web server for sequence-based interfacial residue-residue contact prediction of a putative protein complex. Interfacial residue-residue contacts are critical for understanding how proteins form complex and interact at residue level. When receiving a pair of protein sequences, ComplexContact first searches for their sequence homologs and builds two paired multiple sequence alignments (MSA), then it applies co-evolution analysis and a CASP-winning deep learning (DL) method to predict interfacial contacts from paired MSAs and visualizes the prediction as an image. The DL method was originally developed for intra-protein contact prediction and performed the best in CASP12. Our large-scale experimental test further shows that ComplexContact greatly outperforms pure co-evolution methods for inter-protein contact prediction, regardless of the species.

Pareto optimal pairwise sequence alignment.

Science.gov (United States)

DeRonne, Kevin W; Karypis, George

2013-01-01

Sequence alignment using evolutionary profiles is a commonly employed tool when investigating a protein. Many profile-profile scoring functions have been developed for use in such alignments, but there has not yet been a comprehensive study of Pareto optimal pairwise alignments for combining multiple such functions. We show that the problem of generating Pareto optimal pairwise alignments has an optimal substructure property, and develop an efficient algorithm for generating Pareto optimal frontiers of pairwise alignments. All possible sets of two, three, and four profile scoring functions are used from a pool of 11 functions and applied to 588 pairs of proteins in the ce_ref data set. The performance of the best objective combinations on ce_ref is also evaluated on an independent set of 913 protein pairs extracted from the BAliBASE RV11 data set. Our dynamic-programming-based heuristic approach produces approximated Pareto optimal frontiers of pairwise alignments that contain comparable alignments to those on the exact frontier, but on average in less than 1/58th the time in the case of four objectives. Our results show that the Pareto frontiers contain alignments whose quality is better than the alignments obtained by single objectives. However, the task of identifying a single high-quality alignment among those in the Pareto frontier remains challenging.

Analytical tools and methodologies for evaluation of residual life of contacting pressure tubes in the early generation of Indian PHWRs

International Nuclear Information System (INIS)

Sinha, S.K.; Madhusoodanan, K.; Rupani, B.B.; Sinha, R.K.

2002-01-01

In-service life of a contacting Zircaloy-2 pressure tube (PT) in the earlier generation of Indian PHWRs, is limited mainly due to the accelerated hydrogen pick-up and nucleation and growth of hydride blister(s) at the cold spot(s) formed on outside surface of pressure tube as a result of its contact with the calandria tube (CT). The activities involving development of the analytical models for simulating the degradation mechanisms leading to PT-CT contact and the methodologies for the revaluation of their safe life under such condition form the important part of our extensive programme for the life management of contacting pressure tubes. Since after the PT-CT contact, rate of hydrogen pick-up and nucleation and growth of hydride blisters govern the safe residual life of the pressure tube, two analytical models (a) hydrogen pick-up model ('HYCON') and (b) model for the nucleation and growth of hydride blister at the contact spot ('BLIST -2D') have been developed in-house to estimate the extent of degradation caused by them. Along with them, a methodology for evaluation of safe residual life has also been formulated for evaluating the safe residual life of the contacting channels. This paper gives the brief description of the models and the methodologies relevant for the contacting Zircaloy-2 pressure tubes. (author)

Improved scFv Anti-HIV-1 p17 Binding Affinity Guided from the Theoretical Calculation of Pairwise Decomposition Energies and Computational Alanine Scanning

Directory of Open Access Journals (Sweden)

Panthip Tue-ngeun

2013-01-01

Full Text Available Computational approaches have been used to evaluate and define important residues for protein-protein interactions, especially antigen-antibody complexes. In our previous study, pairwise decomposition of residue interaction energies of single chain Fv with HIV-1 p17 epitope variants has indicated the key specific residues in the complementary determining regions (CDRs of scFv anti-p17. In this present investigation in order to determine whether a specific side chain group of residue in CDRs plays an important role in bioactivity, computational alanine scanning has been applied. Molecular dynamics simulations were done with several complexes of original scFv anti-p17 and scFv anti-p17mutants with HIV-1 p17 epitope variants with a production run up to 10 ns. With the combination of pairwise decomposition residue interaction and alanine scanning calculations, the point mutation has been initially selected at the position MET100 to improve the residue binding affinity. The calculated docking interaction energy between a single mutation from methionine to either arginine or glycine has shown the improved binding affinity, contributed from the electrostatic interaction with the negative favorably interaction energy, compared to the wild type. Theoretical calculations agreed well with the results from the peptide ELISA results.

Metabolic network prediction through pairwise rational kernels.

Science.gov (United States)

Roche-Lima, Abiel; Domaratzki, Michael; Fristensky, Brian

2014-09-26

Metabolic networks are represented by the set of metabolic pathways. Metabolic pathways are a series of biochemical reactions, in which the product (output) from one reaction serves as the substrate (input) to another reaction. Many pathways remain incompletely characterized. One of the major challenges of computational biology is to obtain better models of metabolic pathways. Existing models are dependent on the annotation of the genes. This propagates error accumulation when the pathways are predicted by incorrectly annotated genes. Pairwise classification methods are supervised learning methods used to classify new pair of entities. Some of these classification methods, e.g., Pairwise Support Vector Machines (SVMs), use pairwise kernels. Pairwise kernels describe similarity measures between two pairs of entities. Using pairwise kernels to handle sequence data requires long processing times and large storage. Rational kernels are kernels based on weighted finite-state transducers that represent similarity measures between sequences or automata. They have been effectively used in problems that handle large amount of sequence information such as protein essentiality, natural language processing and machine translations. We create a new family of pairwise kernels using weighted finite-state transducers (called Pairwise Rational Kernel (PRK)) to predict metabolic pathways from a variety of biological data. PRKs take advantage of the simpler representations and faster algorithms of transducers. Because raw sequence data can be used, the predictor model avoids the errors introduced by incorrect gene annotations. We then developed several experiments with PRKs and Pairwise SVM to validate our methods using the metabolic network of Saccharomyces cerevisiae. As a result, when PRKs are used, our method executes faster in comparison with other pairwise kernels. Also, when we use PRKs combined with other simple kernels that include evolutionary information, the accuracy

Pseudo inputs for pairwise learning with Gaussian processes

DEFF Research Database (Denmark)

Nielsen, Jens Brehm; Jensen, Bjørn Sand; Larsen, Jan

2012-01-01

We consider learning and prediction of pairwise comparisons between instances. The problem is motivated from a perceptual view point, where pairwise comparisons serve as an effective and extensively used paradigm. A state-of-the-art method for modeling pairwise data in high dimensional domains...... is based on a classical pairwise probit likelihood imposed with a Gaussian process prior. While extremely flexible, this non-parametric method struggles with an inconvenient O(n3) scaling in terms of the n input instances which limits the method only to smaller problems. To overcome this, we derive...... to other similar approximations that have been applied in standard Gaussian process regression and classification problems such as FI(T)C and PI(T)C....

Residue contacts predicted by evolutionary covariance extend the application of ab initio molecular replacement to larger and more challenging protein folds

Directory of Open Access Journals (Sweden)

Felix Simkovic

2016-07-01

Full Text Available For many protein families, the deluge of new sequence information together with new statistical protocols now allow the accurate prediction of contacting residues from sequence information alone. This offers the possibility of more accurate ab initio (non-homology-based structure prediction. Such models can be used in structure solution by molecular replacement (MR where the target fold is novel or is only distantly related to known structures. Here, AMPLE, an MR pipeline that assembles search-model ensembles from ab initio structure predictions (`decoys', is employed to assess the value of contact-assisted ab initio models to the crystallographer. It is demonstrated that evolutionary covariance-derived residue–residue contact predictions improve the quality of ab initio models and, consequently, the success rate of MR using search models derived from them. For targets containing β-structure, decoy quality and MR performance were further improved by the use of a β-strand contact-filtering protocol. Such contact-guided decoys achieved 14 structure solutions from 21 attempted protein targets, compared with nine for simple Rosetta decoys. Previously encountered limitations were superseded in two key respects. Firstly, much larger targets of up to 221 residues in length were solved, which is far larger than the previously benchmarked threshold of 120 residues. Secondly, contact-guided decoys significantly improved success with β-sheet-rich proteins. Overall, the improved performance of contact-guided decoys suggests that MR is now applicable to a significantly wider range of protein targets than were previously tractable, and points to a direct benefit to structural biology from the recent remarkable advances in sequencing.

SFESA: a web server for pairwise alignment refinement by secondary structure shifts.

Science.gov (United States)

Tong, Jing; Pei, Jimin; Grishin, Nick V

2015-09-03

Protein sequence alignment is essential for a variety of tasks such as homology modeling and active site prediction. Alignment errors remain the main cause of low-quality structure models. A bioinformatics tool to refine alignments is needed to make protein alignments more accurate. We developed the SFESA web server to refine pairwise protein sequence alignments. Compared to the previous version of SFESA, which required a set of 3D coordinates for a protein, the new server will search a sequence database for the closest homolog with an available 3D structure to be used as a template. For each alignment block defined by secondary structure elements in the template, SFESA evaluates alignment variants generated by local shifts and selects the best-scoring alignment variant. A scoring function that combines the sequence score of profile-profile comparison and the structure score of template-derived contact energy is used for evaluation of alignments. PROMALS pairwise alignments refined by SFESA are more accurate than those produced by current advanced alignment methods such as HHpred and CNFpred. In addition, SFESA also improves alignments generated by other software. SFESA is a web-based tool for alignment refinement, designed for researchers to compute, refine, and evaluate pairwise alignments with a combined sequence and structure scoring of alignment blocks. To our knowledge, the SFESA web server is the only tool that refines alignments by evaluating local shifts of secondary structure elements. The SFESA web server is available at http://prodata.swmed.edu/sfesa.

Analysis and Ranking of Protein-Protein Docking Models Using Inter-Residue Contacts and Inter-Molecular Contact Maps

KAUST Repository

Oliva, Romina; Chermak, Edrisse; Cavallo, Luigi

2015-01-01

In view of the increasing interest both in inhibitors of protein-protein interactions and in protein drugs themselves, analysis of the three-dimensional structure of protein-protein complexes is assuming greater relevance in drug design. In the many cases where an experimental structure is not available, protein-protein docking becomes the method of choice for predicting the arrangement of the complex. However, reliably scoring protein-protein docking poses is still an unsolved problem. As a consequence, the screening of many docking models is usually required in the analysis step, to possibly single out the correct ones. Here, making use of exemplary cases, we review our recently introduced methods for the analysis of protein complex structures and for the scoring of protein docking poses, based on the use of inter-residue contacts and their visualization in inter-molecular contact maps. We also show that the ensemble of tools we developed can be used in the context of rational drug design targeting protein-protein interactions.

Analysis and Ranking of Protein-Protein Docking Models Using Inter-Residue Contacts and Inter-Molecular Contact Maps

KAUST Repository

Oliva, Romina

2015-07-01

In view of the increasing interest both in inhibitors of protein-protein interactions and in protein drugs themselves, analysis of the three-dimensional structure of protein-protein complexes is assuming greater relevance in drug design. In the many cases where an experimental structure is not available, protein-protein docking becomes the method of choice for predicting the arrangement of the complex. However, reliably scoring protein-protein docking poses is still an unsolved problem. As a consequence, the screening of many docking models is usually required in the analysis step, to possibly single out the correct ones. Here, making use of exemplary cases, we review our recently introduced methods for the analysis of protein complex structures and for the scoring of protein docking poses, based on the use of inter-residue contacts and their visualization in inter-molecular contact maps. We also show that the ensemble of tools we developed can be used in the context of rational drug design targeting protein-protein interactions.

Ranking multiple docking solutions based on the conservation of inter-residue contacts

KAUST Repository

Oliva, Romina M.

2013-06-17

Molecular docking is the method of choice for investigating the molecular basis of recognition in a large number of functional protein complexes. However, correctly scoring the obtained docking solutions (decoys) to rank native-like (NL) conformations in the top positions is still an open problem. Herein we present CONSRANK, a simple and effective tool to rank multiple docking solutions, which relies on the conservation of inter-residue contacts in the analyzed decoys ensemble. First it calculates a conservation rate for each inter-residue contact, then it ranks decoys according to their ability to match the more frequently observed contacts. We applied CONSRANK to 102 targets from three different benchmarks, RosettaDock, DOCKGROUND, and Critical Assessment of PRedicted Interactions (CAPRI). The method performs consistently well, both in terms of NL solutions ranked in the top positions and of values of the area under the receiver operating characteristic curve. Its ideal application is to solutions coming from different docking programs and procedures, as in the case of CAPRI targets. For all the analyzed CAPRI targets where a comparison is feasible, CONSRANK outperforms the CAPRI scorers. The fraction of NL solutions in the top ten positions in the RosettaDock, DOCKGROUND, and CAPRI benchmarks is enriched on average by a factor of 3.0, 1.9, and 9.9, respectively. Interestingly, CONSRANK is also able to specifically single out the high/medium quality (HMQ) solutions from the docking decoys ensemble: it ranks 46.2 and 70.8% of the total HMQ solutions available for the RosettaDock and CAPRI targets, respectively, within the top 20 positions. © 2013 Wiley Periodicals, Inc.

SVM-dependent pairwise HMM: an application to protein pairwise alignments.

Science.gov (United States)

Orlando, Gabriele; Raimondi, Daniele; Khan, Taushif; Lenaerts, Tom; Vranken, Wim F

2017-12-15

Methods able to provide reliable protein alignments are crucial for many bioinformatics applications. In the last years many different algorithms have been developed and various kinds of information, from sequence conservation to secondary structure, have been used to improve the alignment performances. This is especially relevant for proteins with highly divergent sequences. However, recent works suggest that different features may have different importance in diverse protein classes and it would be an advantage to have more customizable approaches, capable to deal with different alignment definitions. Here we present Rigapollo, a highly flexible pairwise alignment method based on a pairwise HMM-SVM that can use any type of information to build alignments. Rigapollo lets the user decide the optimal features to align their protein class of interest. It outperforms current state of the art methods on two well-known benchmark datasets when aligning highly divergent sequences. A Python implementation of the algorithm is available at http://ibsquare.be/rigapollo. wim.vranken@vub.be. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

Using a consensus approach based on the conservation of inter-residue contacts to rank CAPRI models

KAUST Repository

Vangone, Anna; Cavallo, Luigi; Oliva, Romina M.

2013-01-01

Herein we propose the use of a consensus approach, CONSRANK, for ranking CAPRI models. CONSRANK relies on the conservation of inter-residue contacts in the analyzed decoys ensemble. Models are ranked according to their ability to match the most

Statistical physics of pairwise probability models

DEFF Research Database (Denmark)

Roudi, Yasser; Aurell, Erik; Hertz, John

2009-01-01

(dansk abstrakt findes ikke) Statistical models for describing the probability distribution over the states of biological systems are commonly used for dimensional reduction. Among these models, pairwise models are very attractive in part because they can be fit using a reasonable amount of  data......: knowledge of the means and correlations between pairs of elements in the system is sufficient. Not surprisingly, then, using pairwise models for studying neural data has been the focus of many studies in recent years. In this paper, we describe how tools from statistical physics can be employed for studying...

[Interlaboratory Study on Evaporation Residue Test for Food Contact Products (Report 2)].

Science.gov (United States)

Ohno, Hiroyuki; Mutsuga, Motoh; Abe, Tomoyuki; Abe, Yutaka; Amano, Homare; Ishihara, Kinuyo; Ohsaka, Ikue; Ohno, Haruka; Ohno, Yuichiro; Ozaki, Asako; Kakihara, Yoshiteru; Kobayashi, Hisashi; Sakuragi, Hiroshi; Shibata, Hiroshi; Shirono, Katsuhiro; Sekido, Haruko; Takasaka, Noriko; Takenaka, Yu; Tajima, Yoshiyasu; Tanaka, Aoi; Tanaka, Hideyuki; Nakanishi, Toru; Nomura, Chie; Haneishi, Nahoko; Hayakawa, Masato; Miura, Toshihiko; Yamaguchi, Miku; Yamada, Kyohei; Watanabe, Kazunari; Sato, Kyoko

2018-01-01

An interlaboratory study was performed to evaluate the equivalence between an official method and a modified method of evaporation residue test using heptane as a food-simulating solvent for oily or fatty foods, based on the Japanese Food Sanitation Law for food contact products. Twenty-three laboratories participated, and tested the evaporation residues of nine test solutions as blind duplicates. In the official method, heating for evaporation was done with a water bath. In the modified method, a hot plate was used for evaporation, and/or a vacuum concentration procedure was skipped. In most laboratories, the test solutions were heated until just prior to dryness, and then allowed to dry under residual heat. Statistical analysis revealed that there was no significant difference between the two methods. Accordingly, the modified method provides performance equal to the official method, and is available as an alternative method. Furthermore, an interlaboratory study was performed to evaluate and compare two leaching solutions (95% ethanol and isooctane) used as food-simulating solvents for oily or fatty foods in the EU. The results demonstrated that there was no significant difference between heptane and these two leaching solutions.

Pairwise Constraint-Guided Sparse Learning for Feature Selection.

Science.gov (United States)

Liu, Mingxia; Zhang, Daoqiang

2016-01-01

Feature selection aims to identify the most informative features for a compact and accurate data representation. As typical supervised feature selection methods, Lasso and its variants using L1-norm-based regularization terms have received much attention in recent studies, most of which use class labels as supervised information. Besides class labels, there are other types of supervised information, e.g., pairwise constraints that specify whether a pair of data samples belong to the same class (must-link constraint) or different classes (cannot-link constraint). However, most of existing L1-norm-based sparse learning methods do not take advantage of the pairwise constraints that provide us weak and more general supervised information. For addressing that problem, we propose a pairwise constraint-guided sparse (CGS) learning method for feature selection, where the must-link and the cannot-link constraints are used as discriminative regularization terms that directly concentrate on the local discriminative structure of data. Furthermore, we develop two variants of CGS, including: 1) semi-supervised CGS that utilizes labeled data, pairwise constraints, and unlabeled data and 2) ensemble CGS that uses the ensemble of pairwise constraint sets. We conduct a series of experiments on a number of data sets from University of California-Irvine machine learning repository, a gene expression data set, two real-world neuroimaging-based classification tasks, and two large-scale attribute classification tasks. Experimental results demonstrate the efficacy of our proposed methods, compared with several established feature selection methods.

COMSAT: Residue contact prediction of transmembrane proteins based on support vector machines and mixed integer linear programming.

Science.gov (United States)

Zhang, Huiling; Huang, Qingsheng; Bei, Zhendong; Wei, Yanjie; Floudas, Christodoulos A

2016-03-01

In this article, we present COMSAT, a hybrid framework for residue contact prediction of transmembrane (TM) proteins, integrating a support vector machine (SVM) method and a mixed integer linear programming (MILP) method. COMSAT consists of two modules: COMSAT_SVM which is trained mainly on position-specific scoring matrix features, and COMSAT_MILP which is an ab initio method based on optimization models. Contacts predicted by the SVM model are ranked by SVM confidence scores, and a threshold is trained to improve the reliability of the predicted contacts. For TM proteins with no contacts above the threshold, COMSAT_MILP is used. The proposed hybrid contact prediction scheme was tested on two independent TM protein sets based on the contact definition of 14 Å between Cα-Cα atoms. First, using a rigorous leave-one-protein-out cross validation on the training set of 90 TM proteins, an accuracy of 66.8%, a coverage of 12.3%, a specificity of 99.3% and a Matthews' correlation coefficient (MCC) of 0.184 were obtained for residue pairs that are at least six amino acids apart. Second, when tested on a test set of 87 TM proteins, the proposed method showed a prediction accuracy of 64.5%, a coverage of 5.3%, a specificity of 99.4% and a MCC of 0.106. COMSAT shows satisfactory results when compared with 12 other state-of-the-art predictors, and is more robust in terms of prediction accuracy as the length and complexity of TM protein increase. COMSAT is freely accessible at http://hpcc.siat.ac.cn/COMSAT/. © 2016 Wiley Periodicals, Inc.

A scalable pairwise class interaction framework for multidimensional classification

DEFF Research Database (Denmark)

Arias, Jacinto; Gámez, Jose A.; Nielsen, Thomas Dyhre

2016-01-01

We present a general framework for multidimensional classification that cap- tures the pairwise interactions between class variables. The pairwise class inter- actions are encoded using a collection of base classifiers (Phase 1), for which the class predictions are combined in a Markov random fie...

Dynamics of pairwise motions in the Cosmic Web

Science.gov (United States)

Hellwing, Wojciech A.

2016-10-01

We present results of analysis of the dark matter (DM) pairwise velocity statistics in different Cosmic Web environments. We use the DM velocity and density field from the Millennium 2 simulation together with the NEXUS+ algorithm to segment the simulation volume into voxels uniquely identifying one of the four possible environments: nodes, filaments, walls or cosmic voids. We show that the PDFs of the mean infall velocities v 12 as well as its spatial dependence together with the perpendicular and parallel velocity dispersions bear a significant signal of the large-scale structure environment in which DM particle pairs are embedded. The pairwise flows are notably colder and have smaller mean magnitude in wall and voids, when compared to much denser environments of filaments and nodes. We discuss on our results, indicating that they are consistent with a simple theoretical predictions for pairwise motions as induced by gravitational instability mechanism. Our results indicate that the Cosmic Web elements are coherent dynamical entities rather than just temporal geometrical associations. In addition it should be possible to observationally test various Cosmic Web finding algorithms by segmenting available peculiar velocity data and studying resulting pairwise velocity statistics.

Supplier Evaluation Process by Pairwise Comparisons

Directory of Open Access Journals (Sweden)

Arkadiusz Kawa

2015-01-01

Full Text Available We propose to assess suppliers by using consistency-driven pairwise comparisons for tangible and intangible criteria. The tangible criteria are simpler to compare (e.g., the price of a service is lower than that of another service with identical characteristics. Intangible criteria are more difficult to assess. The proposed model combines assessments of both types of criteria. The main contribution of this paper is the presentation of an extension framework for the selection of suppliers in a procurement process. The final weights are computed from relative pairwise comparisons. For the needs of the paper, surveys were conducted among Polish managers dealing with cooperation with suppliers in their enterprises. The Polish practice and restricted bidding are discussed, too.

Doctoral Program Selection Using Pairwise Comparisons.

Science.gov (United States)

Tadisina, Suresh K.; Bhasin, Vijay

1989-01-01

The application of a pairwise comparison methodology (Saaty's Analytic Hierarchy Process) to the doctoral program selection process is illustrated. A hierarchy for structuring and facilitating the doctoral program selection decision is described. (Author/MLW)

Preference Learning and Ranking by Pairwise Comparison

Science.gov (United States)

Fürnkranz, Johannes; Hüllermeier, Eyke

This chapter provides an overview of recent work on preference learning and ranking via pairwise classification. The learning by pairwise comparison (LPC) paradigm is the natural machine learning counterpart to the relational approach to preference modeling and decision making. From a machine learning point of view, LPC is especially appealing as it decomposes a possibly complex prediction problem into a certain number of learning problems of the simplest type, namely binary classification. We explain how to approach different preference learning problems, such as label and instance ranking, within the framework of LPC. We primarily focus on methodological aspects, but also address theoretical questions as well as algorithmic and complexity issues.

Total effects of contact and residual exposure of bifenthrin and λ-cyhalothrin on the predatory mite Galendromus occidentalis (Acari: Phytoseiidae).

Science.gov (United States)

Hamby, Kelly A; Alifano, Jesse A; Zalom, Frank G

2013-10-01

Pyrethroid insecticides are generally regarded as acutely toxic to predatory phytoseiid mites; however, persistence of hull split spray pyrethroid residues on almond trees and their effects on phytoseiids have not been quantified over time. Hull split, the separation of the almond hull along the suture, exposes the new crop nuts to infestation by Amyelois transitella (Walker) larvae, and is the preferred timing for insecticides applied for their control. Galendromus occidentalis (Nesbitt) is the most important phytoseiid biocontrol agent for web-spinning spider mites in California (USA) almond orchards, and the impact of bifenthrin and λ-cyhalothrin pyrethroid residue on their survival, fertility, and fecundity was determined. The total effects of direct contact with esfenvalerate, permethrin, bifenthrin and λ-cyhalothrin were also evaluated for comparison. The total effects (E) of direct contact treatments of the four pyrethroids ranged from 77.8 % for esfenvalerate to 98.8 % for bifenthrin. Both bifenthrin and λ-cyhalothrin twig residue would be considered harmful (IOBC class 4) following field application at hull split timing. Bifenthrin twig residue would be considered slightly harmful (IOBC class 2) for up to 3.5 months and harmless (IOBC class 1) after 6 months. λ-cyhalothrin residue would be considered moderately harmful (IOBC class 3) for up to 3.5 months following application and harmless (IOBC class 1) after 6 months. Bifenthrin and λ-cyhalothrin twig residue on treated trees significantly reduced G. occidentalis female survival for up to 6 months post-treatment, however total effects (E) classify these residues as harmless (IOBC class 1) after 6 months. Harmful effects of direct and residual exposure following application have implications for the use of these pyrethroids in an integrated mite management program for perennial crops.

Pairwise Choice Markov Chains

OpenAIRE

Ragain, Stephen; Ugander, Johan

2016-01-01

As datasets capturing human choices grow in richness and scale---particularly in online domains---there is an increasing need for choice models that escape traditional choice-theoretic axioms such as regularity, stochastic transitivity, and Luce's choice axiom. In this work we introduce the Pairwise Choice Markov Chain (PCMC) model of discrete choice, an inferentially tractable model that does not assume any of the above axioms while still satisfying the foundational axiom of uniform expansio...

Selecting numerical scales for pairwise comparisons

International Nuclear Information System (INIS)

Elliott, Michael A.

2010-01-01

It is often desirable in decision analysis problems to elicit from an individual the rankings of a population of attributes according to the individual's preference and to understand the degree to which each attribute is preferred to the others. A common method for obtaining this information involves the use of pairwise comparisons, which allows an analyst to convert subjective expressions of preference between two attributes into numerical values indicating preferences across the entire population of attributes. Key to the use of pairwise comparisons is the underlying numerical scale that is used to convert subjective linguistic expressions of preference into numerical values. This scale represents the psychological manner in which individuals perceive increments of preference among abstract attributes and it has important implications about the distribution and consistency of an individual's preferences. Three popular scale types, the traditional integer scales, balanced scales and power scales are examined. Results of a study of 64 individuals responding to a hypothetical decision problem show that none of these scales can accurately capture the preferences of all individuals. A study of three individuals working on an actual engineering decision problem involving the design of a decay heat removal system for a nuclear fission reactor show that the choice of scale can affect the preferred decision. It is concluded that applications of pairwise comparisons would benefit from permitting participants to choose the scale that best models their own particular way of thinking about the relative preference of attributes.

Optimal contact definition for reconstruction of Contact Maps

Directory of Open Access Journals (Sweden)

Stehr Henning

2010-05-01

Full Text Available Abstract Background Contact maps have been extensively used as a simplified representation of protein structures. They capture most important features of a protein's fold, being preferred by a number of researchers for the description and study of protein structures. Inspired by the model's simplicity many groups have dedicated a considerable amount of effort towards contact prediction as a proxy for protein structure prediction. However a contact map's biological interest is subject to the availability of reliable methods for the 3-dimensional reconstruction of the structure. Results We use an implementation of the well-known distance geometry protocol to build realistic protein 3-dimensional models from contact maps, performing an extensive exploration of many of the parameters involved in the reconstruction process. We try to address the questions: a to what accuracy does a contact map represent its corresponding 3D structure, b what is the best contact map representation with regard to reconstructability and c what is the effect of partial or inaccurate contact information on the 3D structure recovery. Our results suggest that contact maps derived from the application of a distance cutoff of 9 to 11Å around the Cβ atoms constitute the most accurate representation of the 3D structure. The reconstruction process does not provide a single solution to the problem but rather an ensemble of conformations that are within 2Å RMSD of the crystal structure and with lower values for the pairwise average ensemble RMSD. Interestingly it is still possible to recover a structure with partial contact information, although wrong contacts can lead to dramatic loss in reconstruction fidelity. Conclusions Thus contact maps represent a valid approximation to the structures with an accuracy comparable to that of experimental methods. The optimal contact definitions constitute key guidelines for methods based on contact maps such as structure prediction through

Inferring Pairwise Interactions from Biological Data Using Maximum-Entropy Probability Models.

Directory of Open Access Journals (Sweden)

Richard R Stein

2015-07-01

Full Text Available Maximum entropy-based inference methods have been successfully used to infer direct interactions from biological datasets such as gene expression data or sequence ensembles. Here, we review undirected pairwise maximum-entropy probability models in two categories of data types, those with continuous and categorical random variables. As a concrete example, we present recently developed inference methods from the field of protein contact prediction and show that a basic set of assumptions leads to similar solution strategies for inferring the model parameters in both variable types. These parameters reflect interactive couplings between observables, which can be used to predict global properties of the biological system. Such methods are applicable to the important problems of protein 3-D structure prediction and association of gene-gene networks, and they enable potential applications to the analysis of gene alteration patterns and to protein design.

TCR-contacting residues orientation and HLA-DRβ* binding preference determine long-lasting protective immunity against malaria

International Nuclear Information System (INIS)

Alba, Martha P.; Suarez, Carlos F.; Varela, Yahson; Patarroyo, Manuel A.; Bermudez, Adriana; Patarroyo, Manuel E.

2016-01-01

Fully-protective, long-lasting, immunological (FPLLI) memory against Plasmodium falciparum malaria regarding immune protection-inducing protein structures (IMPIPS) vaccinated into monkeys previously challenged and re-challenged 60 days later with a lethal Aotus monkey-adapted P. falciparum strain was found to be associated with preferential high binding capacity to HLA-DRβ1* allelic molecules of the major histocompatibility class II (MHC-II), rather than HLA-DRβ3*, β4*, β5* alleles. Complete PPII L 3D structure, a longer distance (26.5 Å ± 1.5 Å) between residues perfectly fitting into HLA-DRβ1*PBR pockets 1 and 9, a gauche − rotamer orientation in p8 TCR-contacting polar residue and a larger volume of polar p2 residues was also found. This data, in association with previously-described p3 and p7 apolar residues having gauche + orientation to form a perfect MHC-II-peptide-TCR complex, determines the stereo-electronic and topochemical characteristics associated with FPLLI immunological memory. - Highlights: • Stereo-electronic and topochemical rules associated with FPLLI immunological memory. • Presence of very high long-lasting antibody titres against Plasmodium falciparum Spz. • Protective memory induction associated with a binding capacity to HLA-DRβ1*. • gauche − rotamer orientation in p8 polar residue is related to is related to immunological memory.

TCR-contacting residues orientation and HLA-DRβ* binding preference determine long-lasting protective immunity against malaria

Energy Technology Data Exchange (ETDEWEB)

Alba, Martha P.; Suarez, Carlos F. [Fundación Instituto de Inmunología de Colombia (FIDIC), Bogotá D. C. (Colombia); Universidad del Rosario, Bogotá D. C. (Colombia); Universidad de Ciencias Aplicadas y Ambientales (UDCA), Bogotá (Colombia); Varela, Yahson [Fundación Instituto de Inmunología de Colombia (FIDIC), Bogotá D. C. (Colombia); Patarroyo, Manuel A.; Bermudez, Adriana [Fundación Instituto de Inmunología de Colombia (FIDIC), Bogotá D. C. (Colombia); Universidad del Rosario, Bogotá D. C. (Colombia); Patarroyo, Manuel E., E-mail: mepatarr@gmail.com [Fundación Instituto de Inmunología de Colombia (FIDIC), Bogotá D. C. (Colombia); Universidad Nacional de Colombia, Bogotá D. C. (Colombia)

2016-09-02

Fully-protective, long-lasting, immunological (FPLLI) memory against Plasmodium falciparum malaria regarding immune protection-inducing protein structures (IMPIPS) vaccinated into monkeys previously challenged and re-challenged 60 days later with a lethal Aotus monkey-adapted P. falciparum strain was found to be associated with preferential high binding capacity to HLA-DRβ1* allelic molecules of the major histocompatibility class II (MHC-II), rather than HLA-DRβ3*, β4*, β5* alleles. Complete PPII{sub L} 3D structure, a longer distance (26.5 Å ± 1.5 Å) between residues perfectly fitting into HLA-DRβ1*PBR pockets 1 and 9, a gauche{sup −} rotamer orientation in p8 TCR-contacting polar residue and a larger volume of polar p2 residues was also found. This data, in association with previously-described p3 and p7 apolar residues having gauche{sup +} orientation to form a perfect MHC-II-peptide-TCR complex, determines the stereo-electronic and topochemical characteristics associated with FPLLI immunological memory. - Highlights: • Stereo-electronic and topochemical rules associated with FPLLI immunological memory. • Presence of very high long-lasting antibody titres against Plasmodium falciparum Spz. • Protective memory induction associated with a binding capacity to HLA-DRβ1*. • gauche{sup −} rotamer orientation in p8 polar residue is related to is related to immunological memory.

The Role of Middlemen inEfficient and Strongly Pairwise Stable Networks

NARCIS (Netherlands)

Gilles, R.P.; Chakrabarti, S.; Sarangi, S.; Badasyan, N.

2004-01-01

We examine the strong pairwise stability concept in network formation theory under collective network benefits.Strong pairwise stability considers a pair of players to add a link through mutual consent while permitting them to unilaterally delete any subset of links under their control.We examine

Evaluation of residue-residue contact prediction in CASP10

KAUST Repository

Monastyrskyy, Bohdan; D'Andrea, Daniel; Fidelis, Krzysztof; Tramontano, Anna; Kryshtafovych, Andriy

2013-01-01

not take part in the experiment likely because they require a very deep sequence alignment not available for any of the 114 CASP10 targets. The performance of contact prediction methods was evaluated with the measures used in previous CASPs (i

Automatic Camera Calibration Using Multiple Sets of Pairwise Correspondences.

Science.gov (United States)

Vasconcelos, Francisco; Barreto, Joao P; Boyer, Edmond

2018-04-01

We propose a new method to add an uncalibrated node into a network of calibrated cameras using only pairwise point correspondences. While previous methods perform this task using triple correspondences, these are often difficult to establish when there is limited overlap between different views. In such challenging cases we must rely on pairwise correspondences and our solution becomes more advantageous. Our method includes an 11-point minimal solution for the intrinsic and extrinsic calibration of a camera from pairwise correspondences with other two calibrated cameras, and a new inlier selection framework that extends the traditional RANSAC family of algorithms to sampling across multiple datasets. Our method is validated on different application scenarios where a lack of triple correspondences might occur: addition of a new node to a camera network; calibration and motion estimation of a moving camera inside a camera network; and addition of views with limited overlap to a Structure-from-Motion model.

Role of long- and short-range hydrophobic, hydrophilic and charged residues contact network in protein’s structural organization

Directory of Open Access Journals (Sweden)

Sengupta Dhriti

2012-06-01

Full Text Available Abstract Background The three-dimensional structure of a protein can be described as a graph where nodes represent residues and the strength of non-covalent interactions between them are edges. These protein contact networks can be separated into long and short-range interactions networks depending on the positions of amino acids in primary structure. Long-range interactions play a distinct role in determining the tertiary structure of a protein while short-range interactions could largely contribute to the secondary structure formations. In addition, physico chemical properties and the linear arrangement of amino acids of the primary structure of a protein determines its three dimensional structure. Here, we present an extensive analysis of protein contact subnetworks based on the London van der Waals interactions of amino acids at different length scales. We further subdivided those networks in hydrophobic, hydrophilic and charged residues networks and have tried to correlate their influence in the overall topology and organization of a protein. Results The largest connected component (LCC of long (LRN-, short (SRN- and all-range (ARN networks within proteins exhibit a transition behaviour when plotted against different interaction strengths of edges among amino acid nodes. While short-range networks having chain like structures exhibit highly cooperative transition; long- and all-range networks, which are more similar to each other, have non-chain like structures and show less cooperativity. Further, the hydrophobic residues subnetworks in long- and all-range networks have similar transition behaviours with all residues all-range networks, but the hydrophilic and charged residues networks don’t. While the nature of transitions of LCC’s sizes is same in SRNs for thermophiles and mesophiles, there exists a clear difference in LRNs. The presence of larger size of interconnected long-range interactions in thermophiles than mesophiles, even at

A predictive model of music preference using pairwise comparisons

DEFF Research Database (Denmark)

Jensen, Bjørn Sand; Gallego, Javier Saez; Larsen, Jan

2012-01-01

Music recommendation is an important aspect of many streaming services and multi-media systems, however, it is typically based on so-called collaborative filtering methods. In this paper we consider the recommendation task from a personal viewpoint and examine to which degree music preference can...... be elicited and predicted using simple and robust queries such as pairwise comparisons. We propose to model - and in turn predict - the pairwise music preference using a very flexible model based on Gaussian Process priors for which we describe the required inference. We further propose a specific covariance...

Revisiting the classification of curtoviruses based on genome-wide pairwise identity

KAUST Repository

Varsani, Arvind; Martin, Darren Patrick; Navas-Castillo, Jesú s; Moriones, Enrique; Herná ndez-Zepeda, Cecilia; Idris, Ali; Murilo Zerbini, F.; Brown, Judith K.

2014-01-01

Members of the genus Curtovirus (family Geminiviridae) are important pathogens of many wild and cultivated plant species. Until recently, relatively few full curtovirus genomes have been characterised. However, with the 19 full genome sequences now available in public databases, we revisit the proposed curtovirus species and strain classification criteria. Using pairwise identities coupled with phylogenetic evidence, revised species and strain demarcation guidelines have been instituted. Specifically, we have established 77% genome-wide pairwise identity as a species demarcation threshold and 94% genome-wide pairwise identity as a strain demarcation threshold. Hence, whereas curtovirus sequences with >77% genome-wide pairwise identity would be classified as belonging to the same species, those sharing >94% identity would be classified as belonging to the same strain. We provide step-by-step guidelines to facilitate the classification of newly discovered curtovirus full genome sequences and a set of defined criteria for naming new species and strains. The revision yields three curtovirus species: Beet curly top virus (BCTV), Spinach severe surly top virus (SpSCTV) and Horseradish curly top virus (HrCTV). © 2014 Springer-Verlag Wien.

Revisiting the classification of curtoviruses based on genome-wide pairwise identity

KAUST Repository

Varsani, Arvind

2014-01-25

Members of the genus Curtovirus (family Geminiviridae) are important pathogens of many wild and cultivated plant species. Until recently, relatively few full curtovirus genomes have been characterised. However, with the 19 full genome sequences now available in public databases, we revisit the proposed curtovirus species and strain classification criteria. Using pairwise identities coupled with phylogenetic evidence, revised species and strain demarcation guidelines have been instituted. Specifically, we have established 77% genome-wide pairwise identity as a species demarcation threshold and 94% genome-wide pairwise identity as a strain demarcation threshold. Hence, whereas curtovirus sequences with >77% genome-wide pairwise identity would be classified as belonging to the same species, those sharing >94% identity would be classified as belonging to the same strain. We provide step-by-step guidelines to facilitate the classification of newly discovered curtovirus full genome sequences and a set of defined criteria for naming new species and strains. The revision yields three curtovirus species: Beet curly top virus (BCTV), Spinach severe surly top virus (SpSCTV) and Horseradish curly top virus (HrCTV). © 2014 Springer-Verlag Wien.

Characterizing protein conformations by correlation analysis of coarse-grained contact matrices

Science.gov (United States)

Lindsay, Richard J.; Siess, Jan; Lohry, David P.; McGee, Trevor S.; Ritchie, Jordan S.; Johnson, Quentin R.; Shen, Tongye

2018-01-01

We have developed a method to capture the essential conformational dynamics of folded biopolymers using statistical analysis of coarse-grained segment-segment contacts. Previously, the residue-residue contact analysis of simulation trajectories was successfully applied to the detection of conformational switching motions in biomolecular complexes. However, the application to large protein systems (larger than 1000 amino acid residues) is challenging using the description of residue contacts. Also, the residue-based method cannot be used to compare proteins with different sequences. To expand the scope of the method, we have tested several coarse-graining schemes that group a collection of consecutive residues into a segment. The definition of these segments may be derived from structural and sequence information, while the interaction strength of the coarse-grained segment-segment contacts is a function of the residue-residue contacts. We then perform covariance calculations on these coarse-grained contact matrices. We monitored how well the principal components of the contact matrices is preserved using various rendering functions. The new method was demonstrated to assist the reduction of the degrees of freedom for describing the conformation space, and it potentially allows for the analysis of a system that is approximately tenfold larger compared with the corresponding residue contact-based method. This method can also render a family of similar proteins into the same conformational space, and thus can be used to compare the structures of proteins with different sequences.

Unjamming in models with analytic pairwise potentials

Science.gov (United States)

Kooij, Stefan; Lerner, Edan

2017-06-01

Canonical models for studying the unjamming scenario in systems of soft repulsive particles assume pairwise potentials with a sharp cutoff in the interaction range. The sharp cutoff renders the potential nonanalytic but makes it possible to describe many properties of the solid in terms of the coordination number z , which has an unambiguous definition in these cases. Pairwise potentials without a sharp cutoff in the interaction range have not been studied in this context, but should in fact be considered to understand the relevance of the unjamming phenomenology in systems where such a cutoff is not present. In this work we explore two systems with such interactions: an inverse power law and an exponentially decaying pairwise potential, with the control parameters being the exponent (of the inverse power law) for the former and the number density for the latter. Both systems are shown to exhibit the characteristic features of the unjamming transition, among which are the vanishing of the shear-to-bulk modulus ratio and the emergence of an excess of low-frequency vibrational modes. We establish a relation between the pressure-to-bulk modulus ratio and the distance to unjamming in each of our model systems. This allows us to predict the dependence of other key observables on the distance to unjamming. Our results provide the means for a quantitative estimation of the proximity of generic glass-forming models to the unjamming transition in the absence of a clear-cut definition of the coordination number and highlight the general irrelevance of nonaffine contributions to the bulk modulus.

Pairwise conjoint analysis of activity engagement choice

NARCIS (Netherlands)

Wang, Donggen; Oppewal, H.; Timmermans, H.J.P.

2000-01-01

Information overload is a well-known problem of conjoint choice models when respondents have to evaluate a large number of attributes and/or attribute levels. In this paper we develop an alternative conjoint modelling approach, called pairwise conjoint analysis. It differs from conventional conjoint

PAIRWISE BLENDING OF HIGH LEVEL WASTE

International Nuclear Information System (INIS)

CERTA, P.J.

2006-01-01

The primary objective of this study is to demonstrate a mission scenario that uses pairwise and incidental blending of high level waste (HLW) to reduce the total mass of HLW glass. Secondary objectives include understanding how recent refinements to the tank waste inventory and solubility assumptions affect the mass of HLW glass and how logistical constraints may affect the efficacy of HLW blending

Unjamming in models with analytic pairwise potentials

NARCIS (Netherlands)

Kooij, S.; Lerner, E.

Canonical models for studying the unjamming scenario in systems of soft repulsive particles assume pairwise potentials with a sharp cutoff in the interaction range. The sharp cutoff renders the potential nonanalytic but makes it possible to describe many properties of the solid in terms of the

A Comparative Study of Pairwise Learning Methods Based on Kernel Ridge Regression.

Science.gov (United States)

Stock, Michiel; Pahikkala, Tapio; Airola, Antti; De Baets, Bernard; Waegeman, Willem

2018-06-12

Many machine learning problems can be formulated as predicting labels for a pair of objects. Problems of that kind are often referred to as pairwise learning, dyadic prediction, or network inference problems. During the past decade, kernel methods have played a dominant role in pairwise learning. They still obtain a state-of-the-art predictive performance, but a theoretical analysis of their behavior has been underexplored in the machine learning literature. In this work we review and unify kernel-based algorithms that are commonly used in different pairwise learning settings, ranging from matrix filtering to zero-shot learning. To this end, we focus on closed-form efficient instantiations of Kronecker kernel ridge regression. We show that independent task kernel ridge regression, two-step kernel ridge regression, and a linear matrix filter arise naturally as a special case of Kronecker kernel ridge regression, implying that all these methods implicitly minimize a squared loss. In addition, we analyze universality, consistency, and spectral filtering properties. Our theoretical results provide valuable insights into assessing the advantages and limitations of existing pairwise learning methods.

Power and sample-size estimation for microbiome studies using pairwise distances and PERMANOVA.

Science.gov (United States)

Kelly, Brendan J; Gross, Robert; Bittinger, Kyle; Sherrill-Mix, Scott; Lewis, James D; Collman, Ronald G; Bushman, Frederic D; Li, Hongzhe

2015-08-01

The variation in community composition between microbiome samples, termed beta diversity, can be measured by pairwise distance based on either presence-absence or quantitative species abundance data. PERMANOVA, a permutation-based extension of multivariate analysis of variance to a matrix of pairwise distances, partitions within-group and between-group distances to permit assessment of the effect of an exposure or intervention (grouping factor) upon the sampled microbiome. Within-group distance and exposure/intervention effect size must be accurately modeled to estimate statistical power for a microbiome study that will be analyzed with pairwise distances and PERMANOVA. We present a framework for PERMANOVA power estimation tailored to marker-gene microbiome studies that will be analyzed by pairwise distances, which includes: (i) a novel method for distance matrix simulation that permits modeling of within-group pairwise distances according to pre-specified population parameters; (ii) a method to incorporate effects of different sizes within the simulated distance matrix; (iii) a simulation-based method for estimating PERMANOVA power from simulated distance matrices; and (iv) an R statistical software package that implements the above. Matrices of pairwise distances can be efficiently simulated to satisfy the triangle inequality and incorporate group-level effects, which are quantified by the adjusted coefficient of determination, omega-squared (ω2). From simulated distance matrices, available PERMANOVA power or necessary sample size can be estimated for a planned microbiome study. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Plastic deformation and contact area of an elastic-plastic contact of ellipsoid bodies after unloading

NARCIS (Netherlands)

Jamari, Jamari; Schipper, Dirk J.

2007-01-01

This paper presents theoretical and experimental results of the residual or plastic deformation and the plastic contact area of an elastic–plastic contact of ellipsoid bodies after unloading. There are three regime responses of the deformation and contact area: elastic, elastic–plastic and fully

Pairwise Comparison and Distance Measure of Hesitant Fuzzy Linguistic Term Sets

Directory of Open Access Journals (Sweden)

Han-Chen Huang

2014-01-01

Full Text Available A hesitant fuzzy linguistic term set (HFLTS, allowing experts using several possible linguistic terms to assess a qualitative linguistic variable, is very useful to express people’s hesitancy in practical decision-making problems. Up to now, a little research has been done on the comparison and distance measure of HFLTSs. In this paper, we present a comparison method for HFLTSs based on pairwise comparisons of each linguistic term in the two HFLTSs. Then, a distance measure method based on the pairwise comparison matrix of HFLTSs is proposed, and we prove that this distance is equal to the distance of the average values of HFLTSs, which makes the distance measure much more simple. Finally, the pairwise comparison and distance measure methods are utilized to develop two multicriteria decision-making approaches under hesitant fuzzy linguistic environments. The results analysis shows that our methods in this paper are more reasonable.

SDT: a virus classification tool based on pairwise sequence alignment and identity calculation.

Directory of Open Access Journals (Sweden)

Brejnev Muhizi Muhire

Full Text Available The perpetually increasing rate at which viral full-genome sequences are being determined is creating a pressing demand for computational tools that will aid the objective classification of these genome sequences. Taxonomic classification approaches that are based on pairwise genetic identity measures are potentially highly automatable and are progressively gaining favour with the International Committee on Taxonomy of Viruses (ICTV. There are, however, various issues with the calculation of such measures that could potentially undermine the accuracy and consistency with which they can be applied to virus classification. Firstly, pairwise sequence identities computed based on multiple sequence alignments rather than on multiple independent pairwise alignments can lead to the deflation of identity scores with increasing dataset sizes. Also, when gap-characters need to be introduced during sequence alignments to account for insertions and deletions, methodological variations in the way that these characters are introduced and handled during pairwise genetic identity calculations can cause high degrees of inconsistency in the way that different methods classify the same sets of sequences. Here we present Sequence Demarcation Tool (SDT, a free user-friendly computer program that aims to provide a robust and highly reproducible means of objectively using pairwise genetic identity calculations to classify any set of nucleotide or amino acid sequences. SDT can produce publication quality pairwise identity plots and colour-coded distance matrices to further aid the classification of sequences according to ICTV approved taxonomic demarcation criteria. Besides a graphical interface version of the program for Windows computers, command-line versions of the program are available for a variety of different operating systems (including a parallel version for cluster computing platforms.

Parasail: SIMD C library for global, semi-global, and local pairwise sequence alignments.

Science.gov (United States)

Daily, Jeff

2016-02-10

Sequence alignment algorithms are a key component of many bioinformatics applications. Though various fast Smith-Waterman local sequence alignment implementations have been developed for x86 CPUs, most are embedded into larger database search tools. In addition, fast implementations of Needleman-Wunsch global sequence alignment and its semi-global variants are not as widespread. This article presents the first software library for local, global, and semi-global pairwise intra-sequence alignments and improves the performance of previous intra-sequence implementations. A faster intra-sequence local pairwise alignment implementation is described and benchmarked, including new global and semi-global variants. Using a 375 residue query sequence a speed of 136 billion cell updates per second (GCUPS) was achieved on a dual Intel Xeon E5-2670 24-core processor system, the highest reported for an implementation based on Farrar's 'striped' approach. Rognes's SWIPE optimal database search application is still generally the fastest available at 1.2 to at best 2.4 times faster than Parasail for sequences shorter than 500 amino acids. However, Parasail was faster for longer sequences. For global alignments, Parasail's prefix scan implementation is generally the fastest, faster even than Farrar's 'striped' approach, however the opal library is faster for single-threaded applications. The software library is designed for 64 bit Linux, OS X, or Windows on processors with SSE2, SSE41, or AVX2. Source code is available from https://github.com/jeffdaily/parasail under the Battelle BSD-style license. Applications that require optimal alignment scores could benefit from the improved performance. For the first time, SIMD global, semi-global, and local alignments are available in a stand-alone C library.

Pairwise Trajectory Management (PTM): Concept Overview

Science.gov (United States)

Jones, Kenneth M.; Graff, Thomas J.; Chartrand, Ryan C.; Carreno, Victor; Kibler, Jennifer L.

2017-01-01

Pairwise Trajectory Management (PTM) is an Interval Management (IM) concept that utilizes airborne and ground-based capabilities to enable the implementation of airborne pairwise spacing capabilities in oceanic regions. The goal of PTM is to use airborne surveillance and tools to manage an "at or greater than" inter-aircraft spacing. Due to the precision of Automatic Dependent Surveillance-Broadcast (ADS-B) information and the use of airborne spacing guidance, the PTM minimum spacing distance will be less than distances a controller can support with current automation systems that support oceanic operations. Ground tools assist the controller in evaluating the traffic picture and determining appropriate PTM clearances to be issued. Avionics systems provide guidance information that allows the flight crew to conform to the PTM clearance issued by the controller. The combination of a reduced minimum distance and airborne spacing management will increase the capacity and efficiency of aircraft operations at a given altitude or volume of airspace. This paper provides an overview of the proposed application, description of a few key scenarios, high level discussion of expected air and ground equipment and procedure changes, overview of a potential flight crew human-machine interface that would support PTM operations and some initial PTM benefits results.

Fast and accurate estimation of the covariance between pairwise maximum likelihood distances

Directory of Open Access Journals (Sweden)

Manuel Gil

2014-09-01

Full Text Available Pairwise evolutionary distances are a model-based summary statistic for a set of molecular sequences. They represent the leaf-to-leaf path lengths of the underlying phylogenetic tree. Estimates of pairwise distances with overlapping paths covary because of shared mutation events. It is desirable to take these covariance structure into account to increase precision in any process that compares or combines distances. This paper introduces a fast estimator for the covariance of two pairwise maximum likelihood distances, estimated under general Markov models. The estimator is based on a conjecture (going back to Nei & Jin, 1989 which links the covariance to path lengths. It is proven here under a simple symmetric substitution model. A simulation shows that the estimator outperforms previously published ones in terms of the mean squared error.

Fast and accurate estimation of the covariance between pairwise maximum likelihood distances.

Science.gov (United States)

Gil, Manuel

2014-01-01

Pairwise evolutionary distances are a model-based summary statistic for a set of molecular sequences. They represent the leaf-to-leaf path lengths of the underlying phylogenetic tree. Estimates of pairwise distances with overlapping paths covary because of shared mutation events. It is desirable to take these covariance structure into account to increase precision in any process that compares or combines distances. This paper introduces a fast estimator for the covariance of two pairwise maximum likelihood distances, estimated under general Markov models. The estimator is based on a conjecture (going back to Nei & Jin, 1989) which links the covariance to path lengths. It is proven here under a simple symmetric substitution model. A simulation shows that the estimator outperforms previously published ones in terms of the mean squared error.

Pair-Wise Trajectory Management-Oceanic (PTM-O) . [Concept of Operations—Version 3.9

Science.gov (United States)

Jones, Kenneth M.

2014-01-01

This document describes the Pair-wise Trajectory Management-Oceanic (PTM-O) Concept of Operations (ConOps). Pair-wise Trajectory Management (PTM) is a concept that includes airborne and ground-based capabilities designed to enable and to benefit from, airborne pair-wise distance-monitoring capability. PTM includes the capabilities needed for the controller to issue a PTM clearance that resolves a conflict for a specific pair of aircraft. PTM avionics include the capabilities needed for the flight crew to manage their trajectory relative to specific designated aircraft. Pair-wise Trajectory Management PTM-Oceanic (PTM-O) is a regional specific application of the PTM concept. PTM is sponsored by the National Aeronautics and Space Administration (NASA) Concept and Technology Development Project (part of NASA's Airspace Systems Program). The goal of PTM is to use enhanced and distributed communications and surveillance along with airborne tools to permit reduced separation standards for given aircraft pairs, thereby increasing the capacity and efficiency of aircraft operations at a given altitude or volume of airspace.

Analysis of core-periphery organization in protein contact networks reveals groups of structurally and functionally critical residues.

Science.gov (United States)

Isaac, Arnold Emerson; Sinha, Sitabhra

2015-10-01

The representation of proteins as networks of interacting amino acids, referred to as protein contact networks (PCN), and their subsequent analyses using graph theoretic tools, can provide novel insights into the key functional roles of specific groups of residues. We have characterized the networks corresponding to the native states of 66 proteins (belonging to different families) in terms of their core-periphery organization. The resulting hierarchical classification of the amino acid constituents of a protein arranges the residues into successive layers - having higher core order - with increasing connection density, ranging from a sparsely linked periphery to a densely intra-connected core (distinct from the earlier concept of protein core defined in terms of the three-dimensional geometry of the native state, which has least solvent accessibility). Our results show that residues in the inner cores are more conserved than those at the periphery. Underlining the functional importance of the network core, we see that the receptor sites for known ligand molecules of most proteins occur in the innermost core. Furthermore, the association of residues with structural pockets and cavities in binding or active sites increases with the core order. From mutation sensitivity analysis, we show that the probability of deleterious or intolerant mutations also increases with the core order. We also show that stabilization centre residues are in the innermost cores, suggesting that the network core is critically important in maintaining the structural stability of the protein. A publicly available Web resource for performing core-periphery analysis of any protein whose native state is known has been made available by us at http://www.imsc.res.in/ ~sitabhra/proteinKcore/index.html.

Robust Subjective Visual Property Prediction from Crowdsourced Pairwise Labels.

Science.gov (United States)

Fu, Yanwei; Hospedales, Timothy M; Xiang, Tao; Xiong, Jiechao; Gong, Shaogang; Wang, Yizhou; Yao, Yuan

2016-03-01

The problem of estimating subjective visual properties from image and video has attracted increasing interest. A subjective visual property is useful either on its own (e.g. image and video interestingness) or as an intermediate representation for visual recognition (e.g. a relative attribute). Due to its ambiguous nature, annotating the value of a subjective visual property for learning a prediction model is challenging. To make the annotation more reliable, recent studies employ crowdsourcing tools to collect pairwise comparison labels. However, using crowdsourced data also introduces outliers. Existing methods rely on majority voting to prune the annotation outliers/errors. They thus require a large amount of pairwise labels to be collected. More importantly as a local outlier detection method, majority voting is ineffective in identifying outliers that can cause global ranking inconsistencies. In this paper, we propose a more principled way to identify annotation outliers by formulating the subjective visual property prediction task as a unified robust learning to rank problem, tackling both the outlier detection and learning to rank jointly. This differs from existing methods in that (1) the proposed method integrates local pairwise comparison labels together to minimise a cost that corresponds to global inconsistency of ranking order, and (2) the outlier detection and learning to rank problems are solved jointly. This not only leads to better detection of annotation outliers but also enables learning with extremely sparse annotations.

Theory of pairwise lesion interaction

International Nuclear Information System (INIS)

Harder, Dietrich; Virsik-Peuckert, Patricia; Bartels, Ernst

1992-01-01

A comparison between repair time constants measured both at the molecular and cellular levels has shown that the DNA double strand break is the molecular change of key importance in the causation of cellular effects such as chromosome aberrations and cell inactivation. Cell fusion experiments provided the evidence that it needs the pairwise interaction between two double strand breaks - or more exactly between the two ''repair sites'' arising from them in the course of enzymatic repair - to provide the faulty chromatin crosslink which leads to cytogenetic and cytolethal effects. These modern experiments have confirmed the classical assumption of pairwise lesion interaction (PLI) on which the models of Lea and Neary were based. It seems worthwhile to continue and complete the mathematical treatment of their proposed mechanism in order to show in quantitative terms that the well-known fractionation, protraction and linear energy transfer (LET) irradiation effects are consequences of or can at least be partly attributed to PLI. Arithmetic treatment of PLI - a second order reaction - has also the advantage of providing a prerequisite for further investigations into the stages of development of misrepair products such as chromatin crosslinks. It has been possible to formulate a completely arithmetic theory of PLI by consequently applying three biophysically permitted approximations - pure first order lesion repair kinetics, dose-independent repair time constants and low yield of the ionization/lesion conversion. The mathematical approach will be summarized here, including several formulae not elaborated at the time of previous publications. We will also study an application which sheds light on the chain of events involved in PLI. (author)

A decomposition of pairwise continuity via ideals

Directory of Open Access Journals (Sweden)

Mahes Wari

2016-02-01

Full Text Available In this paper, we introduce and study the notions of (i, j - regular - ℐ -closed sets, (i, j - Aℐ -sets, (i, j - ℐ -locally closed sets, p- Aℐ -continuous functions and p- ℐ -LC-continuous functions in ideal bitopological spaces and investigate some of their properties. Also, a new decomposition of pairwise continuity is obtained using these sets.

Modeling Expressed Emotions in Music using Pairwise Comparisons

DEFF Research Database (Denmark)

Madsen, Jens; Nielsen, Jens Brehm; Jensen, Bjørn Sand

2012-01-01

We introduce a two-alternative forced-choice experimental paradigm to quantify expressed emotions in music using the two wellknown arousal and valence (AV) dimensions. In order to produce AV scores from the pairwise comparisons and to visualize the locations of excerpts in the AV space, we...

Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation.

Science.gov (United States)

Bryson, Steve; Thomson, Christy A; Risnes, Louise F; Dasgupta, Somnath; Smith, Kenneth; Schrader, John W; Pai, Emil F

2016-06-01

The human Ab response to certain pathogens is oligoclonal, with preferred IgV genes being used more frequently than others. A pair of such preferred genes, IGVK3-11 and IGVH3-30, contributes to the generation of protective Abs directed against the 23F serotype of the pneumonococcal capsular polysaccharide of Streptococcus pneumoniae and against the AD-2S1 peptide of the gB membrane protein of human CMV. Structural analyses of Fab fragments of mAbs 023.102 and pn132p2C05 in complex with portions of the 23F polysaccharide revealed five germline-encoded residues in contact with the key component, l-rhamnose. In the case of the AD-2S1 peptide, the KE5 Fab fragment complex identified nine germline-encoded contact residues. Two of these germline-encoded residues, Arg91L and Trp94L, contact both the l-rhamnose and the AD-2S1 peptide. Comparison of the respective paratopes that bind to carbohydrate and protein reveals that stochastic diversity in both CDR3 loops alone almost exclusively accounts for their divergent specificity. Combined evolutionary pressure by human CMV and the 23F serotype of S. pneumoniae acted on the IGVK3-11 and IGVH3-30 genes as demonstrated by the multiple germline-encoded amino acids that contact both l-rhamnose and AD-2S1 peptide. Copyright © 2016 by The American Association of Immunologists, Inc.

Improved protein structure reconstruction using secondary structures, contacts at higher distance thresholds, and non-contacts.

Science.gov (United States)

Adhikari, Badri; Cheng, Jianlin

2017-08-29

Residue-residue contacts are key features for accurate de novo protein structure prediction. For the optimal utilization of these predicted contacts in folding proteins accurately, it is important to study the challenges of reconstructing protein structures using true contacts. Because contact-guided protein modeling approach is valuable for predicting the folds of proteins that do not have structural templates, it is necessary for reconstruction studies to focus on hard-to-predict protein structures. Using a data set consisting of 496 structural domains released in recent CASP experiments and a dataset of 150 representative protein structures, in this work, we discuss three techniques to improve the reconstruction accuracy using true contacts - adding secondary structures, increasing contact distance thresholds, and adding non-contacts. We find that reconstruction using secondary structures and contacts can deliver accuracy higher than using full contact maps. Similarly, we demonstrate that non-contacts can improve reconstruction accuracy not only when the used non-contacts are true but also when they are predicted. On the dataset consisting of 150 proteins, we find that by simply using low ranked predicted contacts as non-contacts and adding them as additional restraints, can increase the reconstruction accuracy by 5% when the reconstructed models are evaluated using TM-score. Our findings suggest that secondary structures are invaluable companions of contacts for accurate reconstruction. Confirming some earlier findings, we also find that larger distance thresholds are useful for folding many protein structures which cannot be folded using the standard definition of contacts. Our findings also suggest that for more accurate reconstruction using predicted contacts it is useful to predict contacts at higher distance thresholds (beyond 8 Å) and predict non-contacts.

Thermal Adsorption Processing Of Hydrocarbon Residues

Directory of Open Access Journals (Sweden)

Sudad H. Al.

2017-04-01

Full Text Available The raw materials of secondary catalytic processes must be pre-refined. Among these refining processes are the deasphalting and demetallization including their thermo adsorption or thermo-contact adsorption variety. In oil processing four main processes of thermo-adsorption refining of hydrocarbon residues are used ART Asphalt Residual Treating - residues deasphaltizing 3D Discriminatory Destructive Distillation developed in the US ACT Adsorption-Contact Treatment and ETCC Express Thermo-Contact Cracking developed in Russia. ART and ACT are processes with absorbers of lift type reactor while 3D and ETCC processes are with an adsorbing reactor having ultra-short contact time of the raw material with the adsorbent. In all these processes refining of hydrocarbon residues is achieved by partial Thermo-destructive transformations of hydrocarbons and hetero-atomic compounds with simultaneous adsorption of the formed on the surface of the adsorbents resins asphaltene and carboids as well as metal- sulphur - and nitro-organic compounds. Demetallized and deasphalted light and heavy gas oils or their mixtures are a quality raw material for secondary deepening refining processes catalytic and hydrogenation cracking etc. since they are characterized by low coking ability and low content of organometallic compounds that lead to irreversible deactivation of the catalysts of these deepening processes.

Power and sample-size estimation for microbiome studies using pairwise distances and PERMANOVA

OpenAIRE

Kelly, Brendan J.; Gross, Robert; Bittinger, Kyle; Sherrill-Mix, Scott; Lewis, James D.; Collman, Ronald G.; Bushman, Frederic D.; Li, Hongzhe

2015-01-01

Motivation: The variation in community composition between microbiome samples, termed beta diversity, can be measured by pairwise distance based on either presence–absence or quantitative species abundance data. PERMANOVA, a permutation-based extension of multivariate analysis of variance to a matrix of pairwise distances, partitions within-group and between-group distances to permit assessment of the effect of an exposure or intervention (grouping factor) upon the sampled microbiome. Within-...

Assessment of crystalline disorder in cryo-milled samples of indomethacin using atomic pair-wise distribution functions

DEFF Research Database (Denmark)

Bøtker, Johan P; Karmwar, Pranav; Strachan, Clare J

2011-01-01

to analyse the cryo-milled samples. The high similarity between the ¿-indomethacin cryogenic ball milled samples and the crude ¿-indomethacin indicated that milled samples retained residual order of the ¿-form. The PDF analysis encompassed the capability of achieving a correlation with the physical......The aim of this study was to investigate the usefulness of the atomic pair-wise distribution function (PDF) to detect the extension of disorder/amorphousness induced into a crystalline drug using a cryo-milling technique, and to determine the optimal milling times to achieve amorphisation. The PDF...... properties determined from DSC, ss-NMR and stability experiments. Multivariate data analysis (MVDA) was used to visualize the differences in the PDF and XRPD data. The MVDA approach revealed that PDF is more efficient in assessing the introduced degree of disorder in ¿-indomethacin after cryo-milling than...

Pairwise Trajectory Management (PTM): Concept Description and Documentation

Science.gov (United States)

Jones, Kenneth M.; Graff, Thomas J.; Carreno, Victor; Chartrand, Ryan C.; Kibler, Jennifer L.

2018-01-01

Pairwise Trajectory Management (PTM) is an Interval Management (IM) concept that utilizes airborne and ground-based capabilities to enable the implementation of airborne pairwise spacing capabilities in oceanic regions. The goal of PTM is to use airborne surveillance and tools to manage an "at or greater than" inter-aircraft spacing. Due to the accuracy of Automatic Dependent Surveillance-Broadcast (ADS-B) information and the use of airborne spacing guidance, the minimum PTM spacing distance will be less than distances a controller can support with current automation systems that support oceanic operations. Ground tools assist the controller in evaluating the traffic picture and determining appropriate PTM clearances to be issued. Avionics systems provide guidance information that allows the flight crew to conform to the PTM clearance issued by the controller. The combination of a reduced minimum distance and airborne spacing management will increase the capacity and efficiency of aircraft operations at a given altitude or volume of airspace. This document provides an overview of the proposed application, a description of several key scenarios, a high level discussion of expected air and ground equipment and procedure changes, a description of a NASA human-machine interface (HMI) prototype for the flight crew that would support PTM operations, and initial benefits analysis results. Additionally, included as appendices, are the following documents: the PTM Operational Services and Environment Definition (OSED) document and a companion "Future Considerations for the Pairwise Trajectory Management (PTM) Concept: Potential Future Updates for the PTM OSED" paper, a detailed description of the PTM algorithm and PTM Limit Mach rules, initial PTM safety requirements and safety assessment documents, a detailed description of the design, development, and initial evaluations of the proposed flight crew HMI, an overview of the methodology and results of PTM pilot training

Smoothed particle hydrodynamics study of the roughness effect on contact angle and droplet flow.

Science.gov (United States)

Shigorina, Elena; Kordilla, Jannes; Tartakovsky, Alexandre M

2017-09-01

We employ a pairwise force smoothed particle hydrodynamics (PF-SPH) model to simulate sessile and transient droplets on rough hydrophobic and hydrophilic surfaces. PF-SPH allows modeling of free-surface flows without discretizing the air phase, which is achieved by imposing the surface tension and dynamic contact angles with pairwise interaction forces. We use the PF-SPH model to study the effect of surface roughness and microscopic contact angle on the effective contact angle and droplet dynamics. In the first part of this work, we investigate static contact angles of sessile droplets on different types of rough surfaces. We find that the effective static contact angles of Cassie and Wenzel droplets on a rough surface are greater than the corresponding microscale static contact angles. As a result, microscale hydrophobic rough surfaces also show effective hydrophobic behavior. On the other hand, microscale hydrophilic surfaces may be macroscopically hydrophilic or hydrophobic, depending on the type of roughness. We study the dependence of the transition between Cassie and Wenzel states on roughness and droplet size, which can be linked to the critical pressure for the given fluid-substrate combination. We observe good agreement between simulations and theoretical predictions. Finally, we study the impact of the roughness orientation (i.e., an anisotropic roughness) and surface inclination on droplet flow velocities. Simulations show that droplet flow velocities are lower if the surface roughness is oriented perpendicular to the flow direction. If the predominant elements of surface roughness are in alignment with the flow direction, the flow velocities increase compared to smooth surfaces, which can be attributed to the decrease in fluid-solid contact area similar to the lotus effect. We demonstrate that classical linear scaling relationships between Bond and capillary numbers for droplet flow on flat surfaces also hold for flow on rough surfaces.

Revision of Begomovirus taxonomy based on pairwise sequence comparisons

KAUST Repository

Brown, Judith K.; Zerbini, F. Murilo; Navas-Castillo, Jesú s; Moriones, Enrique; Ramos-Sobrinho, Roberto; Silva, José C. F.; Fiallo-Olivé , Elvira; Briddon, Rob W.; Herná ndez-Zepeda, Cecilia; Idris, Ali; Malathi, V. G.; Martin, Darren P.; Rivera-Bustamante, Rafael; Ueda, Shigenori; Varsani, Arvind

2015-01-01

Viruses of the genus Begomovirus (family Geminiviridae) are emergent pathogens of crops throughout the tropical and subtropical regions of the world. By virtue of having a small DNA genome that is easily cloned, and due to the recent innovations in cloning and low-cost sequencing, there has been a dramatic increase in the number of available begomovirus genome sequences. Even so, most of the available sequences have been obtained from cultivated plants and are likely a small and phylogenetically unrepresentative sample of begomovirus diversity, a factor constraining taxonomic decisions such as the establishment of operationally useful species demarcation criteria. In addition, problems in assigning new viruses to established species have highlighted shortcomings in the previously recommended mechanism of species demarcation. Based on the analysis of 3,123 full-length begomovirus genome (or DNA-A component) sequences available in public databases as of December 2012, a set of revised guidelines for the classification and nomenclature of begomoviruses are proposed. The guidelines primarily consider a) genus-level biological characteristics and b) results obtained using a standardized classification tool, Sequence Demarcation Tool, which performs pairwise sequence alignments and identity calculations. These guidelines are consistent with the recently published recommendations for the genera Mastrevirus and Curtovirus of the family Geminiviridae. Genome-wide pairwise identities of 91 % and 94 % are proposed as the demarcation threshold for begomoviruses belonging to different species and strains, respectively. Procedures and guidelines are outlined for resolving conflicts that may arise when assigning species and strains to categories wherever the pairwise identity falls on or very near the demarcation threshold value.

Revision of Begomovirus taxonomy based on pairwise sequence comparisons

KAUST Repository

Brown, Judith K.

2015-04-18

Viruses of the genus Begomovirus (family Geminiviridae) are emergent pathogens of crops throughout the tropical and subtropical regions of the world. By virtue of having a small DNA genome that is easily cloned, and due to the recent innovations in cloning and low-cost sequencing, there has been a dramatic increase in the number of available begomovirus genome sequences. Even so, most of the available sequences have been obtained from cultivated plants and are likely a small and phylogenetically unrepresentative sample of begomovirus diversity, a factor constraining taxonomic decisions such as the establishment of operationally useful species demarcation criteria. In addition, problems in assigning new viruses to established species have highlighted shortcomings in the previously recommended mechanism of species demarcation. Based on the analysis of 3,123 full-length begomovirus genome (or DNA-A component) sequences available in public databases as of December 2012, a set of revised guidelines for the classification and nomenclature of begomoviruses are proposed. The guidelines primarily consider a) genus-level biological characteristics and b) results obtained using a standardized classification tool, Sequence Demarcation Tool, which performs pairwise sequence alignments and identity calculations. These guidelines are consistent with the recently published recommendations for the genera Mastrevirus and Curtovirus of the family Geminiviridae. Genome-wide pairwise identities of 91 % and 94 % are proposed as the demarcation threshold for begomoviruses belonging to different species and strains, respectively. Procedures and guidelines are outlined for resolving conflicts that may arise when assigning species and strains to categories wherever the pairwise identity falls on or very near the demarcation threshold value.

Improving prediction of heterodimeric protein complexes using combination with pairwise kernel.

Science.gov (United States)

Ruan, Peiying; Hayashida, Morihiro; Akutsu, Tatsuya; Vert, Jean-Philippe

2018-02-19

Since many proteins become functional only after they interact with their partner proteins and form protein complexes, it is essential to identify the sets of proteins that form complexes. Therefore, several computational methods have been proposed to predict complexes from the topology and structure of experimental protein-protein interaction (PPI) network. These methods work well to predict complexes involving at least three proteins, but generally fail at identifying complexes involving only two different proteins, called heterodimeric complexes or heterodimers. There is however an urgent need for efficient methods to predict heterodimers, since the majority of known protein complexes are precisely heterodimers. In this paper, we use three promising kernel functions, Min kernel and two pairwise kernels, which are Metric Learning Pairwise Kernel (MLPK) and Tensor Product Pairwise Kernel (TPPK). We also consider the normalization forms of Min kernel. Then, we combine Min kernel or its normalization form and one of the pairwise kernels by plugging. We applied kernels based on PPI, domain, phylogenetic profile, and subcellular localization properties to predicting heterodimers. Then, we evaluate our method by employing C-Support Vector Classification (C-SVC), carrying out 10-fold cross-validation, and calculating the average F-measures. The results suggest that the combination of normalized-Min-kernel and MLPK leads to the best F-measure and improved the performance of our previous work, which had been the best existing method so far. We propose new methods to predict heterodimers, using a machine learning-based approach. We train a support vector machine (SVM) to discriminate interacting vs non-interacting protein pairs, based on informations extracted from PPI, domain, phylogenetic profiles and subcellular localization. We evaluate in detail new kernel functions to encode these data, and report prediction performance that outperforms the state-of-the-art.

Ink-Jet Printer Forms Solar-Cell Contacts

Science.gov (United States)

Alexander, Paul, Jr.; Vest, R. W.; Binford, Don A.; Tweedell, Eric P.

1988-01-01

Contacts formed in controllable patterns with metal-based inks. System forms upper metal contact patterns on silicon photovoltaic cells. Uses metallo-organic ink, decomposes when heated, leaving behind metallic, electrically conductive residue in printed area.

Determination of contact maps in proteins: A combination of structural and chemical approaches

Energy Technology Data Exchange (ETDEWEB)

Wołek, Karol; Cieplak, Marek, E-mail: mc@ifpan.edu.pl [Institute of Physics, Polish Academy of Science, Al. Lotników 32/46, 02-668 Warsaw (Poland); Gómez-Sicilia, Àngel [Instituto Cajal, Consejo Superior de Investigaciones Cientificas (CSIC), Av. Doctor Arce, 37, 28002 Madrid (Spain); Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia), C/Faraday 9, 28049 Cantoblanco (Madrid) (Spain)

2015-12-28

Contact map selection is a crucial step in structure-based molecular dynamics modelling of proteins. The map can be determined in many different ways. We focus on the methods in which residues are represented as clusters of effective spheres. One contact map, denoted as overlap (OV), is based on the overlap of such spheres. Another contact map, named Contacts of Structural Units (CSU), involves the geometry in a different way and, in addition, brings chemical considerations into account. We develop a variant of the CSU approach in which we also incorporate Coulombic effects such as formation of the ionic bridges and destabilization of possible links through repulsion. In this way, the most essential and well defined contacts are identified. The resulting residue-residue contact map, dubbed repulsive CSU (rCSU), is more sound in its physico-chemical justification than CSU. It also provides a clear prescription for validity of an inter-residual contact: the number of attractive atomic contacts should be larger than the number of repulsive ones — a feature that is not present in CSU. However, both of these maps do not correlate well with the experimental data on protein stretching. Thus, we propose to use rCSU together with the OV map. We find that the combined map, denoted as OV+rCSU, performs better than OV. In most situations, OV and OV+rCSU yield comparable folding properties but for some proteins rCSU provides contacts which improve folding in a substantial way. We discuss the likely residue-specificity of the rCSU contacts. Finally, we make comparisons to the recently proposed shadow contact map, which is derived from different principles.

Analysis of deep learning methods for blind protein contact prediction in CASP12.

Science.gov (United States)

Wang, Sheng; Sun, Siqi; Xu, Jinbo

2018-03-01

Here we present the results of protein contact prediction achieved in CASP12 by our RaptorX-Contact server, which is an early implementation of our deep learning method for contact prediction. On a set of 38 free-modeling target domains with a median family size of around 58 effective sequences, our server obtained an average top L/5 long- and medium-range contact accuracy of 47% and 44%, respectively (L = length). A complete implementation has an average accuracy of 59% and 57%, respectively. Our deep learning method formulates contact prediction as a pixel-level image labeling problem and simultaneously predicts all residue pairs of a protein using a combination of two deep residual neural networks, taking as input the residue conservation information, predicted secondary structure and solvent accessibility, contact potential, and coevolution information. Our approach differs from existing methods mainly in (1) formulating contact prediction as a pixel-level image labeling problem instead of an image-level classification problem; (2) simultaneously predicting all contacts of an individual protein to make effective use of contact occurrence patterns; and (3) integrating both one-dimensional and two-dimensional deep convolutional neural networks to effectively learn complex sequence-structure relationship including high-order residue correlation. This paper discusses the RaptorX-Contact pipeline, both contact prediction and contact-based folding results, and finally the strength and weakness of our method. © 2017 Wiley Periodicals, Inc.

Determinants of sovereign debt yield spreads under EMU: Pairwise approach

NARCIS (Netherlands)

Fazlioglu, S.

2013-01-01

This study aims at providing an empirical analysis of long-term determinants of sovereign debt yield spreads under European EMU (Economic and Monetary Union) through pairwise approach within panel framework. Panel gravity models are increasingly used in the cross-market correlation literature while

Prediction of residual stress using explicit finite element method

Directory of Open Access Journals (Sweden)

W.A. Siswanto

2015-12-01

Full Text Available This paper presents the residual stress behaviour under various values of friction coefficients and scratching displacement amplitudes. The investigation is based on numerical solution using explicit finite element method in quasi-static condition. Two different aeroengine materials, i.e. Super CMV (Cr-Mo-V and Titanium alloys (Ti-6Al-4V, are examined. The usage of FEM analysis in plate under normal contact is validated with Hertzian theoretical solution in terms of contact pressure distributions. The residual stress distributions along with normal and shear stresses on elastic and plastic regimes of the materials are studied for a simple cylinder-on-flat contact configuration model subjected to normal loading, scratching and followed by unloading. The investigated friction coefficients are 0.3, 0.6 and 0.9, while scratching displacement amplitudes are 0.05 mm, 0.10 mm and 0.20 mm respectively. It is found that friction coefficient of 0.6 results in higher residual stress for both materials. Meanwhile, the predicted residual stress is proportional to the scratching displacement amplitude, higher displacement amplitude, resulting in higher residual stress. It is found that less residual stress is predicted on Super CMV material compared to Ti-6Al-4V material because of its high yield stress and ultimate strength. Super CMV material with friction coefficient of 0.3 and scratching displacement amplitude of 0.10 mm is recommended to be used in contact engineering applications due to its minimum possibility of fatigue.

Classification between normal and tumor tissues based on the pair-wise gene expression ratio

International Nuclear Information System (INIS)

Yap, YeeLeng; Zhang, XueWu; Ling, MT; Wang, XiangHong; Wong, YC; Danchin, Antoine

2004-01-01

Precise classification of cancer types is critically important for early cancer diagnosis and treatment. Numerous efforts have been made to use gene expression profiles to improve precision of tumor classification. However, reliable cancer-related signals are generally lacking. Using recent datasets on colon and prostate cancer, a data transformation procedure from single gene expression to pair-wise gene expression ratio is proposed. Making use of the internal consistency of each expression profiling dataset this transformation improves the signal to noise ratio of the dataset and uncovers new relevant cancer-related signals (features). The efficiency in using the transformed dataset to perform normal/tumor classification was investigated using feature partitioning with informative features (gene annotation) as discriminating axes (single gene expression or pair-wise gene expression ratio). Classification results were compared to the original datasets for up to 10-feature model classifiers. 82 and 262 genes that have high correlation to tissue phenotype were selected from the colon and prostate datasets respectively. Remarkably, data transformation of the highly noisy expression data successfully led to lower the coefficient of variation (CV) for the within-class samples as well as improved the correlation with tissue phenotypes. The transformed dataset exhibited lower CV when compared to that of single gene expression. In the colon cancer set, the minimum CV decreased from 45.3% to 16.5%. In prostate cancer, comparable CV was achieved with and without transformation. This improvement in CV, coupled with the improved correlation between the pair-wise gene expression ratio and tissue phenotypes, yielded higher classification efficiency, especially with the colon dataset – from 87.1% to 93.5%. Over 90% of the top ten discriminating axes in both datasets showed significant improvement after data transformation. The high classification efficiency achieved suggested

Dry cleaning of fluorocarbon residues by low-power electron cyclotron resonance hydrogen plasma

CERN Document Server

Lim, S H; Yuh, H K; Yoon Eui Joon; Lee, S I

1988-01-01

A low-power ( 50 W) electron cyclotron resonance hydrogen plasma cleaning process was demonstrated for the removal of fluorocarbon residue layers formed by reactive ion etching of silicon dioxide. The absence of residue layers was confirmed by in-situ reflection high energy electron diffraction and cross-sectional high resolution transmission electron microscopy. The ECR hydrogen plasma cleaning was applied to contact cleaning of a contact string structure, resulting in comparable contact resistance arising during by a conventional contact cleaning procedure. Ion-assisted chemical reaction involving reactive atomic hydrogen species generated in the plasma is attributed for the removal of fluorocarbon residue layers.

Pairwise harmonics for shape analysis

KAUST Repository

Zheng, Youyi

2013-07-01

This paper introduces a simple yet effective shape analysis mechanism for geometry processing. Unlike traditional shape analysis techniques which compute descriptors per surface point up to certain neighborhoods, we introduce a shape analysis framework in which the descriptors are based on pairs of surface points. Such a pairwise analysis approach leads to a new class of shape descriptors that are more global, discriminative, and can effectively capture the variations in the underlying geometry. Specifically, we introduce new shape descriptors based on the isocurves of harmonic functions whose global maximum and minimum occur at the point pair. We show that these shape descriptors can infer shape structures and consistently lead to simpler and more efficient algorithms than the state-of-the-art methods for three applications: intrinsic reflectional symmetry axis computation, matching shape extremities, and simultaneous surface segmentation and skeletonization. © 2012 IEEE.

Scalable Bayesian nonparametric measures for exploring pairwise dependence via Dirichlet Process Mixtures.

Science.gov (United States)

Filippi, Sarah; Holmes, Chris C; Nieto-Barajas, Luis E

2016-11-16

In this article we propose novel Bayesian nonparametric methods using Dirichlet Process Mixture (DPM) models for detecting pairwise dependence between random variables while accounting for uncertainty in the form of the underlying distributions. A key criteria is that the procedures should scale to large data sets. In this regard we find that the formal calculation of the Bayes factor for a dependent-vs.-independent DPM joint probability measure is not feasible computationally. To address this we present Bayesian diagnostic measures for characterising evidence against a "null model" of pairwise independence. In simulation studies, as well as for a real data analysis, we show that our approach provides a useful tool for the exploratory nonparametric Bayesian analysis of large multivariate data sets.

A gradient approximation for calculating Debye temperatures from pairwise interatomic potentials

International Nuclear Information System (INIS)

Jackson, D.P.

1975-09-01

A simple gradient approximation is given for calculating the effective Debye temperature of a cubic crystal from central pairwise interatomic potentials. For examples of the Morse potential applied to cubic metals the results are in generally good agreement with experiment. (author)

Bistability, non-ergodicity, and inhibition in pairwise maximum-entropy models.

Science.gov (United States)

Rostami, Vahid; Porta Mana, PierGianLuca; Grün, Sonja; Helias, Moritz

2017-10-01

Pairwise maximum-entropy models have been used in neuroscience to predict the activity of neuronal populations, given only the time-averaged correlations of the neuron activities. This paper provides evidence that the pairwise model, applied to experimental recordings, would produce a bimodal distribution for the population-averaged activity, and for some population sizes the second mode would peak at high activities, that experimentally would be equivalent to 90% of the neuron population active within time-windows of few milliseconds. Several problems are connected with this bimodality: 1. The presence of the high-activity mode is unrealistic in view of observed neuronal activity and on neurobiological grounds. 2. Boltzmann learning becomes non-ergodic, hence the pairwise maximum-entropy distribution cannot be found: in fact, Boltzmann learning would produce an incorrect distribution; similarly, common variants of mean-field approximations also produce an incorrect distribution. 3. The Glauber dynamics associated with the model is unrealistically bistable and cannot be used to generate realistic surrogate data. This bimodality problem is first demonstrated for an experimental dataset from 159 neurons in the motor cortex of macaque monkey. Evidence is then provided that this problem affects typical neural recordings of population sizes of a couple of hundreds or more neurons. The cause of the bimodality problem is identified as the inability of standard maximum-entropy distributions with a uniform reference measure to model neuronal inhibition. To eliminate this problem a modified maximum-entropy model is presented, which reflects a basic effect of inhibition in the form of a simple but non-uniform reference measure. This model does not lead to unrealistic bimodalities, can be found with Boltzmann learning, and has an associated Glauber dynamics which incorporates a minimal asymmetric inhibition.

Extension of Pairwise Broadcast Clock Synchronization for Multicluster Sensor Networks

Directory of Open Access Journals (Sweden)

Bruce W. Suter

2008-01-01

Full Text Available Time synchronization is crucial for wireless sensor networks (WSNs in performing a number of fundamental operations such as data coordination, power management, security, and localization. The Pairwise Broadcast Synchronization (PBS protocol was recently proposed to minimize the number of timing messages required for global network synchronization, which enables the design of highly energy-efficient WSNs. However, PBS requires all nodes in the network to lie within the communication ranges of two leader nodes, a condition which might not be available in some applications. This paper proposes an extension of PBS to the more general class of sensor networks. Based on the hierarchical structure of the network, an energy-efficient pair selection algorithm is proposed to select the best pairwise synchronization sequence to reduce the overall energy consumption. It is shown that in a multicluster networking environment, PBS requires a far less number of timing messages than other well-known synchronization protocols and incurs no loss in synchronization accuracy. Moreover, the proposed scheme presents significant energy savings for densely deployed WSNs.

Lifetime limitations of ohmic, contacting RF MEMS switches with Au, Pt and Ir contact materials due to accumulation of ‘friction polymer’ on the contacts

International Nuclear Information System (INIS)

Czaplewski, David A; Nordquist, Christopher D; Dyck, Christopher W; Patrizi, Gary A; Kraus, Garth M; Cowan, William D

2012-01-01

We present lifetime limitations and failure analysis of many packaged RF MEMS ohmic contacting switches with Au–Au, Au–Ir, and Au–Pt contact materials operating with 100 µN of contact force per contact in hermetically sealed glass wall packages. All metals were tested using the same switch design in a controlled environment to provide a comparison between the performance of the different materials and their corresponding failure mechanisms. The switch lifetimes of the different contact materials varied from several hundred cycles to 200 million cycles with different mechanisms causing failures for different contact materials. Switches with Au–Au contacts failed due to adhesion when thoroughly cleaned while switches with dissimilar metal contacts (Au–Ir and Au–Pt) operated without adhesion failures but failed due to carbon accumulation on the contacts even in a clean, packaged environment as a result of the catalytic behavior of the contact materials. Switch lifetimes correlated inversely with catalytic behavior of the contact metals. The data suggests the path to increase switch lifetime is to use favorable catalytic materials as contacts, design switches with higher contact forces to break through any residual contamination, and use cleaner, probably smaller, packages. (paper)

Surface contact potential patches and Casimir force measurements

International Nuclear Information System (INIS)

Kim, W. J.; Sushkov, A. O.; Lamoreaux, S. K.; Dalvit, D. A. R.

2010-01-01

We present calculations of contact potential surface patch effects that simplify previous treatments. It is shown that, because of the linearity of Laplace's equation, the presence of patch potentials does not affect an electrostatic calibration of a two-plate Casimir measurement apparatus. Using models that include long-range variations in the contact potential across the plate surfaces, a number of experimental observations can be reproduced and explained. For these models, numerical calculations show that if a voltage is applied between the plates which minimizes the force, a residual electrostatic force persists, and that the minimizing potential varies with distance. The residual force can be described by a fit to a simple two-parameter function involving the minimizing potential and its variation with distance. We show the origin of this residual force by use of a simple parallel capacitor model. Finally, the implications of a residual force that varies in a manner different from 1/d on the accuracy of previous Casimir measurements is discussed.

Measurement of residual stress in quenched 1045 steel by the nanoindentation method

International Nuclear Information System (INIS)

Zhu Lina; Xu Binshi; Wang Haidou; Wang Chengbiao

2010-01-01

In this paper, the residual stress in quenched AISI 1045 steel was measured by a recently developed nanoindentation technique. Depth control mode was adopted to measure the residual stress. It was found that residual compressive stress was generated in the quenched steel. The material around nanoindents exhibits significant pile-up deformation. A new method was proposed to determine the real contact area for pile-up material on the basis of invariant pile-up morphology of the loaded or unloaded states. The results obtained by the new method were in good agreement with the residual stresses measured by the classical X-ray diffraction (XRD) method. - Research Highlights: → A new method was proposed to measure the real contact area for pile-up materials. → The real contact depth is defined as the sum of h max and the pile-up height h p . → The value of residual stress measured by the nanoindentation method was in good agreement with that by the XRD method.

A Relative-Localization Algorithm Using Incomplete Pairwise Distance Measurements for Underwater Applications

Directory of Open Access Journals (Sweden)

Kae Y. Foo

2010-01-01

Full Text Available The task of localizing underwater assets involves the relative localization of each unit using only pairwise distance measurements, usually obtained from time-of-arrival or time-delay-of-arrival measurements. In the fluctuating underwater environment, a complete set of pair-wise distance measurements can often be difficult to acquire, thus hindering a straightforward closed-form solution in deriving the assets' relative coordinates. An iterative multidimensional scaling approach is presented based upon a weighted-majorization algorithm that tolerates missing or inaccurate distance measurements. Substantial modifications are proposed to optimize the algorithm, while the effects of refractive propagation paths are considered. A parametric study of the algorithm based upon simulation results is shown. An acoustic field-trial was then carried out, presenting field measurements to highlight the practical implementation of this algorithm.

CONFOLD2: improved contact-driven ab initio protein structure modeling.

Science.gov (United States)

Adhikari, Badri; Cheng, Jianlin

2018-01-25

Contact-guided protein structure prediction methods are becoming more and more successful because of the latest advances in residue-residue contact prediction. To support contact-driven structure prediction, effective tools that can quickly build tertiary structural models of good quality from predicted contacts need to be developed. We develop an improved contact-driven protein modelling method, CONFOLD2, and study how it may be effectively used for ab initio protein structure prediction with predicted contacts as input. It builds models using various subsets of input contacts to explore the fold space under the guidance of a soft square energy function, and then clusters the models to obtain the top five models. CONFOLD2 obtains an average reconstruction accuracy of 0.57 TM-score for the 150 proteins in the PSICOV contact prediction dataset. When benchmarked on the CASP11 contacts predicted using CONSIP2 and CASP12 contacts predicted using Raptor-X, CONFOLD2 achieves a mean TM-score of 0.41 on both datasets. CONFOLD2 allows to quickly generate top five structural models for a protein sequence when its secondary structures and contacts predictions at hand. The source code of CONFOLD2 is publicly available at https://github.com/multicom-toolbox/CONFOLD2/ .

Measuring pair-wise molecular interactions in a complex mixture

Science.gov (United States)

Chakraborty, Krishnendu; Varma, Manoj M.; Venkatapathi, Murugesan

2016-03-01

Complex biological samples such as serum contain thousands of proteins and other molecules spanning up to 13 orders of magnitude in concentration. Present measurement techniques do not permit the analysis of all pair-wise interactions between the components of such a complex mixture to a given target molecule. In this work we explore the use of nanoparticle tags which encode the identity of the molecule to obtain the statistical distribution of pair-wise interactions using their Localized Surface Plasmon Resonance (LSPR) signals. The nanoparticle tags are chosen such that the binding between two molecules conjugated to the respective nanoparticle tags can be recognized by the coupling of their LSPR signals. This numerical simulation is done by DDA to investigate this approach using a reduced system consisting of three nanoparticles (a gold ellipsoid with aspect ratio 2.5 and short axis 16 nm, and two silver ellipsoids with aspect ratios 3 and 2 and short axes 8 nm and 10 nm respectively) and the set of all possible dimers formed between them. Incident light was circularly polarized and all possible particle and dimer orientations were considered. We observed that minimum peak separation between two spectra is 5 nm while maximum is 184nm.

New encouraging developments in contact prediction: Assessment of the CASP11 results

KAUST Repository

Monastyrskyy, Bohdan

2015-10-01

© 2015 Wiley Periodicals, Inc. This article provides a report on the state-of-the-art in the prediction of intra-molecular residue-residue contacts in proteins based on the assessment of the predictions submitted to the CASP11 experiment. The assessment emphasis is placed on the accuracy in predicting long-range contacts. Twenty-nine groups participated in contact prediction in CASP11. At least eight of them used the recently developed evolutionary coupling techniques, with the top group (CONSIP2) reaching precision of 27% on target proteins that could not be modeled by homology. This result indicates a breakthrough in the development of methods based on the correlated mutation approach. Successful prediction of contacts was shown to be practically helpful in modeling three-dimensional structures; in particular target T0806 was modeled exceedingly well with accuracy not yet seen for ab initio targets of this size (>250 residues).

Living network meta-analysis compared with pairwise meta-analysis in comparative effectiveness research: empirical study

Science.gov (United States)

Nikolakopoulou, Adriani; Mavridis, Dimitris; Furukawa, Toshi A; Cipriani, Andrea; Tricco, Andrea C; Straus, Sharon E; Siontis, George C M; Egger, Matthias

2018-01-01

Abstract Objective To examine whether the continuous updating of networks of prospectively planned randomised controlled trials (RCTs) (“living” network meta-analysis) provides strong evidence against the null hypothesis in comparative effectiveness of medical interventions earlier than the updating of conventional, pairwise meta-analysis. Design Empirical study of the accumulating evidence about the comparative effectiveness of clinical interventions. Data sources Database of network meta-analyses of RCTs identified through searches of Medline, Embase, and the Cochrane Database of Systematic Reviews until 14 April 2015. Eligibility criteria for study selection Network meta-analyses published after January 2012 that compared at least five treatments and included at least 20 RCTs. Clinical experts were asked to identify in each network the treatment comparison of greatest clinical interest. Comparisons were excluded for which direct and indirect evidence disagreed, based on side, or node, splitting test (Pmeta-analysis. The frequency and time to strong evidence was compared against the null hypothesis between pairwise and network meta-analyses. Results 49 comparisons of interest from 44 networks were included; most (n=39, 80%) were between active drugs, mainly from the specialties of cardiology, endocrinology, psychiatry, and rheumatology. 29 comparisons were informed by both direct and indirect evidence (59%), 13 by indirect evidence (27%), and 7 by direct evidence (14%). Both network and pairwise meta-analysis provided strong evidence against the null hypothesis for seven comparisons, but for an additional 10 comparisons only network meta-analysis provided strong evidence against the null hypothesis (P=0.002). The median time to strong evidence against the null hypothesis was 19 years with living network meta-analysis and 23 years with living pairwise meta-analysis (hazard ratio 2.78, 95% confidence interval 1.00 to 7.72, P=0.05). Studies directly comparing

Improving contact prediction along three dimensions.

Directory of Open Access Journals (Sweden)

Christoph Feinauer

2014-10-01

Full Text Available Correlation patterns in multiple sequence alignments of homologous proteins can be exploited to infer information on the three-dimensional structure of their members. The typical pipeline to address this task, which we in this paper refer to as the three dimensions of contact prediction, is to (i filter and align the raw sequence data representing the evolutionarily related proteins; (ii choose a predictive model to describe a sequence alignment; (iii infer the model parameters and interpret them in terms of structural properties, such as an accurate contact map. We show here that all three dimensions are important for overall prediction success. In particular, we show that it is possible to improve significantly along the second dimension by going beyond the pair-wise Potts models from statistical physics, which have hitherto been the focus of the field. These (simple extensions are motivated by multiple sequence alignments often containing long stretches of gaps which, as a data feature, would be rather untypical for independent samples drawn from a Potts model. Using a large test set of proteins we show that the combined improvements along the three dimensions are as large as any reported to date.

Image ranking in video sequences using pairwise image comparisons and temporal smoothing

CSIR Research Space (South Africa)

Burke, Michael

2016-12-01

Full Text Available The ability to predict the importance of an image is highly desirable in computer vision. This work introduces an image ranking scheme suitable for use in video or image sequences. Pairwise image comparisons are used to determine image ‘interest...

Using a consensus approach based on the conservation of inter-residue contacts to rank CAPRI models

KAUST Repository

Vangone, Anna

2013-10-17

Herein we propose the use of a consensus approach, CONSRANK, for ranking CAPRI models. CONSRANK relies on the conservation of inter-residue contacts in the analyzed decoys ensemble. Models are ranked according to their ability to match the most frequently observed contacts. We applied CONSRANK to 19 CAPRI protein-protein targets, covering a wide range of prediction difficulty and involved in a variety of biological functions. CONSRANK results are consistently good, both in terms of native-like (NL) solutions ranked in the top positions and of values of the Area Under the receiver operating characteristic Curve (AUC). For targets having a percentage of NL solutions above 3%, an excellent performance is found, with AUC values approaching 1. For the difficult target T46, having only 3.4% NL solutions, the number of NL solutions in the top 5 and 10 ranked positions is enriched by a factor 30, and the AUC value is as high as 0.997. AUC values below 0.8 are only found for targets featuring a percentage of NL solutions within 1.1%. Remarkably, a false consensus emerges only in one case, T42, which happens to be an artificial protein, whose assembly details remain uncertain, based on controversial experimental data. We also show that CONSRANK still performs very well on a limited number of models, provided that more than 1 NL solution is included in the ensemble, thus extending its applicability to cases where few dozens of models are available.© 2013 Wiley Periodicals, Inc.

Statistical Characterization of the Charge State and Residue Dependence of Low-Energy CID Peptide Dissociation Patterns

International Nuclear Information System (INIS)

Huang, Yingying; Triscari, Joseph M.; Tseng, George C.; Pasa-Tolic, Ljiljana; Lipton, Mary S.; Smith, Richard D.; Wysocki, Vicki H.

2005-01-01

Data mining was performed on 28 330 unique peptide tandem mass spectra for which sequences were assigned with high confidence. By dividing the spectra into different sets based on structural features and charge states of the corresponding peptides, chemical interactions involved in promoting specific cleavage patterns in gas-phase peptides were characterized. Pairwise fragmentation maps describing cleavages at all Xxx-Zzz residue combinations for b and y ions reveal that the difference in basicity between Arg and Lys results in different dissociation patterns for singly charged Arg- and Lys-ending tryptic peptides. While one dominant protonation form (proton localized) exists for Arg-ending peptides, a heterogeneous population of different protonated forms or more facile interconversion of protonated forms (proton partially mobile) exists for Lys-ending peptides. Cleavage C-terminal to acidic residues dominates spectra from peptides that have a localized proton and cleavage N-terminal to Pro dominates those that have a mobile or partially mobile proton. When Pro is absent from peptides that have a mobile or partially mobile proton, cleavage at each peptide bond becomes much more prominent. Whether the above patterns can be found in b ions, y ions, or both depends on the location of the proton holder(s). Enhanced cleavages C-terminal to branched aliphatic residues (Ile, Val, Leu) are observed in both b and y ions from peptides that have a mobile proton, as well as in y ions from peptides that have a partially mobile proton; enhanced cleavages N-terminal to these residues are observed in b ions from peptides that have a partially mobile proton. Statistical tools have been designed to visualize the fragmentation maps and measure the similarity between them. The pairwise cleavage patterns observed expand our knowledge of peptide gas-phase fragmentation behaviors and should be useful in algorithm development that employs improved models to predict fragment ion

Dynamics of pairwise entanglement between two Tavis-Cummings atoms

International Nuclear Information System (INIS)

Guo Jinliang; Song Heshan

2008-01-01

We investigate the time evolution of pairwise entanglement between two Tavis-Cummings atoms for various entangled initial states, including pure and mixed states. We find that the phenomenon of entanglement sudden death behaviors is distinct in the evolution of entanglement for different initial states. What deserves mentioning here is that the initial portion of the excited state in the initial state is responsible for the sudden death of entanglement, and the degree of this effect also depends on the initial states

Simultaneous-Fault Diagnosis of Gas Turbine Generator Systems Using a Pairwise-Coupled Probabilistic Classifier

Directory of Open Access Journals (Sweden)

Zhixin Yang

2013-01-01

Full Text Available A reliable fault diagnostic system for gas turbine generator system (GTGS, which is complicated and inherent with many types of component faults, is essential to avoid the interruption of electricity supply. However, the GTGS diagnosis faces challenges in terms of the existence of simultaneous-fault diagnosis and high cost in acquiring the exponentially increased simultaneous-fault vibration signals for constructing the diagnostic system. This research proposes a new diagnostic framework combining feature extraction, pairwise-coupled probabilistic classifier, and decision threshold optimization. The feature extraction module adopts wavelet packet transform and time-domain statistical features to extract vibration signal features. Kernel principal component analysis is then applied to further reduce the redundant features. The features of single faults in a simultaneous-fault pattern are extracted and then detected using a probabilistic classifier, namely, pairwise-coupled relevance vector machine, which is trained with single-fault patterns only. Therefore, the training dataset of simultaneous-fault patterns is unnecessary. To optimize the decision threshold, this research proposes to use grid search method which can ensure a global solution as compared with traditional computational intelligence techniques. Experimental results show that the proposed framework performs well for both single-fault and simultaneous-fault diagnosis and is superior to the frameworks without feature extraction and pairwise coupling.

GapMis: a tool for pairwise sequence alignment with a single gap.

Science.gov (United States)

Flouri, Tomás; Frousios, Kimon; Iliopoulos, Costas S; Park, Kunsoo; Pissis, Solon P; Tischler, German

2013-08-01

Pairwise sequence alignment has received a new motivation due to the advent of recent patents in next-generation sequencing technologies, particularly so for the application of re-sequencing---the assembly of a genome directed by a reference sequence. After the fast alignment between a factor of the reference sequence and a high-quality fragment of a short read by a short-read alignment programme, an important problem is to find the alignment between a relatively short succeeding factor of the reference sequence and the remaining low-quality part of the read allowing a number of mismatches and the insertion of a single gap in the alignment. We present GapMis, a tool for pairwise sequence alignment with a single gap. It is based on a simple algorithm, which computes a different version of the traditional dynamic programming matrix. The presented experimental results demonstrate that GapMis is more suitable and efficient than most popular tools for this task.

Locating one pairwise interaction: Three recursive constructions

Directory of Open Access Journals (Sweden)

Charles J. Colbourn

2016-09-01

Full Text Available In a complex component-based system, choices (levels for components (factors may interact tocause faults in the system behaviour. When faults may be caused by interactions among few factorsat specific levels, covering arrays provide a combinatorial test suite for discovering the presence offaults. While well studied, covering arrays do not enable one to determine the specific levels of factorscausing the faults; locating arrays ensure that the results from test suite execution suffice to determinethe precise levels and factors causing faults, when the number of such causes is small. Constructionsfor locating arrays are at present limited to heuristic computational methods and quite specific directconstructions. In this paper three recursive constructions are developed for locating arrays to locateone pairwise interaction causing a fault.

Neutron diffraction measurements of residual stress in a powder metallurgy component

International Nuclear Information System (INIS)

Schneider, L.C.R.; Hainsworth, S.V.; Cocks, A.C.F.; Fitzpatrick, M.E.

2005-01-01

Residual stresses in a typical industrial green component were determined using neutron diffraction. The measured residual stresses were found to correlate with cross-sectional variations. Residual stress at the edge of the compact in contact with the die wall during compaction reached up to +80 MPa (tension) and -100 MPa (compression)

Pairwise and higher-order correlations among drug-resistance mutations in HIV-1 subtype B protease

Directory of Open Access Journals (Sweden)

Morozov Alexandre V

2009-08-01

individually smaller but may have a collective effect. Together they lead to correlations which could have an important impact on the dynamics of the evolution of cross-resistance, by allowing the virus to pass through otherwise unlikely mutational states. These findings also indicate that pairwise and possibly higher-order effects should be included in the models of protein evolution, instead of assuming that all residues mutate independently of one another.

Geometric measure of pairwise quantum discord for superpositions of multipartite generalized coherent states

International Nuclear Information System (INIS)

Daoud, M.; Ahl Laamara, R.

2012-01-01

We give the explicit expressions of the pairwise quantum correlations present in superpositions of multipartite coherent states. A special attention is devoted to the evaluation of the geometric quantum discord. The dynamics of quantum correlations under a dephasing channel is analyzed. A comparison of geometric measure of quantum discord with that of concurrence shows that quantum discord in multipartite coherent states is more resilient to dissipative environments than is quantum entanglement. To illustrate our results, we consider some special superpositions of Weyl–Heisenberg, SU(2) and SU(1,1) coherent states which interpolate between Werner and Greenberger–Horne–Zeilinger states. -- Highlights: ► Pairwise quantum correlations multipartite coherent states. ► Explicit expression of geometric quantum discord. ► Entanglement sudden death and quantum discord robustness. ► Generalized coherent states interpolating between Werner and Greenberger–Horne–Zeilinger states

Geometric measure of pairwise quantum discord for superpositions of multipartite generalized coherent states

Energy Technology Data Exchange (ETDEWEB)

Daoud, M., E-mail: m_daoud@hotmail.com [Department of Physics, Faculty of Sciences, University Ibnou Zohr, Agadir (Morocco); Ahl Laamara, R., E-mail: ahllaamara@gmail.com [LPHE-Modeling and Simulation, Faculty of Sciences, University Mohammed V, Rabat (Morocco); Centre of Physics and Mathematics, CPM, CNESTEN, Rabat (Morocco)

2012-07-16

We give the explicit expressions of the pairwise quantum correlations present in superpositions of multipartite coherent states. A special attention is devoted to the evaluation of the geometric quantum discord. The dynamics of quantum correlations under a dephasing channel is analyzed. A comparison of geometric measure of quantum discord with that of concurrence shows that quantum discord in multipartite coherent states is more resilient to dissipative environments than is quantum entanglement. To illustrate our results, we consider some special superpositions of Weyl–Heisenberg, SU(2) and SU(1,1) coherent states which interpolate between Werner and Greenberger–Horne–Zeilinger states. -- Highlights: ► Pairwise quantum correlations multipartite coherent states. ► Explicit expression of geometric quantum discord. ► Entanglement sudden death and quantum discord robustness. ► Generalized coherent states interpolating between Werner and Greenberger–Horne–Zeilinger states.

Effect of residual stress on the nanoindentation response of (100) copper single crystal

International Nuclear Information System (INIS)

Zhu, Li-na; Xu, Bin-shi; Wang, Hai-dou; Wang, Cheng-biao

2012-01-01

Experimental measurements were used to investigate the effect of residual stress on the nanoindentation of (100) copper single crystal. Equi-biaxial tensile and compressive stresses were applied to the copper single crystal using a special designed apparatus. It was found that residual stresses greatly affected peak load, curvature of the loading curve, elastically recovered depth, residual depth, indentation work, pile-up amount and contact area. The Suresh and Giannakopoulos and Lee and Kwon methods were used to calculate the residual stresses from load-depth data and morphology observation of nanoindents using atomic force microscopy. Comparison of the obtained results with stress values from strain gage showed that the residual stresses analyzed from the Suresh and Giannakopoulos model agreed well with the applied stresses. -- Highlights: ► Residual stresses greatly affected various nanoindentation parameters. ► The contact area can be accurately measured from AFM observation. ► The residual stresses analyzed from the S and G model agreed well with applied stresses.

On the calculation of x-ray scattering signals from pairwise radial distribution functions

DEFF Research Database (Denmark)

Dohn, Asmus Ougaard; Biasin, Elisa; Haldrup, Kristoffer

2015-01-01

We derive a formulation for evaluating (time-resolved) x-ray scattering signals of solvated chemical systems, based on pairwise radial distribution functions, with the aim of this formulation to accompany molecular dynamics simulations. The derivation is described in detail to eliminate any possi...

A pragmatic pairwise group-decision method for selection of sites for nuclear power plants

International Nuclear Information System (INIS)

Kutbi, I.I.

1987-01-01

A pragmatic pairwise group-decision approach is applied to compare two regions in order to select the more suitable one for construction of nulcear power plants in the Kingdom of Saudi Arabia. The selection methodology is based on pairwise comparison by forced choice. The method facilitates rating of the regions or sites using simple calculations. Two regions, one close to Dhahran on the Arabian Gulf and another close to Jeddah on the Red Sea, are evaluated. No specific site in either region is considered at this stage. The comparison is based on a set of selection criteria which include (i) topography, (ii) geology, (iii) seismology, (iv) meteorology, (v) oceanography, (vi) hydrology and (vii) proximetry to oil and gas fields. The comparison shows that the Jeddah region is more suitable than the Dhahran region. (orig.)

Document Level Assessment of Document Retrieval Systems in a Pairwise System Evaluation

Science.gov (United States)

Rajagopal, Prabha; Ravana, Sri Devi

2017-01-01

Introduction: The use of averaged topic-level scores can result in the loss of valuable data and can cause misinterpretation of the effectiveness of system performance. This study aims to use the scores of each document to evaluate document retrieval systems in a pairwise system evaluation. Method: The chosen evaluation metrics are document-level…

Contact Estimation in Robot Interaction

Directory of Open Access Journals (Sweden)

Filippo D'Ippolito

2014-07-01

Full Text Available In the paper, safety issues are examined in a scenario in which a robot manipulator and a human perform the same task in the same workspace. During the task execution, the human should be able to physically interact with the robot, and in this case an estimation algorithm for both interaction forces and a contact point is proposed in order to guarantee safety conditions. The method, starting from residual joint torque estimation, allows both direct and adaptive computation of the contact point and force, based on a principle of equivalence of the contact forces. At the same time, all the unintended contacts must be avoided, and a suitable post-collision strategy is considered to move the robot away from the collision area or else to reduce impact effects. Proper experimental tests have demonstrated the applicability in practice of both the post-impact strategy and the estimation algorithms; furthermore, experiments demonstrate the different behaviour resulting from the adaptation of the contact point as opposed to direct calculation.

Measurement of residual stresses by the moire method

Science.gov (United States)

Sciammarella, C. A.; Albertazzi, A., Jr.

Three different applications of the moire method to the determination of residual stresses and strains are presented. The three applications take advantage of the property of ratings to record the changes of the surface they are printed on. One of the applications deals with thermal residual stresses, another with contact residual stress and the third one is a generalization of the blind hole technique. This last application is based on a computer assisted moire technique and on the generalization of the quasi-heterodyne techniques of fringe pattern analysis.

Control of peptide nanotube diameter by chemical modifications of an aromatic residue involved in a single close contact

Science.gov (United States)

Tarabout, Christophe; Roux, Stéphane; Gobeaux, Frédéric; Fay, Nicolas; Pouget, Emilie; Meriadec, Cristelle; Ligeti, Melinda; Thomas, Daniel; IJsselstijn, Maarten; Besselievre, François; Buisson, David-Alexandre; Verbavatz, Jean-Marc; Petitjean, Michel; Valéry, Céline; Perrin, Lionel; Rousseau, Bernard; Artzner, Franck; Paternostre, Maité; Cintrat, Jean-Christophe

2011-01-01

Supramolecular self-assembly is an attractive pathway for bottom-up synthesis of novel nanomaterials. In particular, this approach allows the spontaneous formation of structures of well-defined shapes and monodisperse characteristic sizes. Because nanotechnology mainly relies on size-dependent physical phenomena, the control of monodispersity is required, but the possibility of tuning the size is also essential. For self-assembling systems, shape, size, and monodispersity are mainly settled by the chemical structure of the building block. Attempts to change the size notably by chemical modification usually end up with the loss of self-assembly. Here, we generated a library of 17 peptides forming nanotubes of monodisperse diameter ranging from 10 to 36 nm. A structural model taking into account close contacts explains how a modification of a few Å of a single aromatic residue induces a fourfold increase in nanotube diameter. The application of such a strategy is demonstrated by the formation of silica nanotubes of various diameters. PMID:21518895

Structural profiles of human miRNA families from pairwise clustering

DEFF Research Database (Denmark)

Kaczkowski, Bogumil; Þórarinsson, Elfar; Reiche, Kristin

2009-01-01

secondary structure already predicted, little is known about the patterns of structural conservation among pre-miRNAs. We address this issue by clustering the human pre-miRNA sequences based on pairwise, sequence and secondary structure alignment using FOLDALIGN, followed by global multiple alignment...... of obtained clusters by WAR. As a result, the common secondary structure was successfully determined for four FOLDALIGN clusters: the RF00027 structural family of the Rfam database and three clusters with previously undescribed consensus structures. Availability: http://genome.ku.dk/resources/mirclust...

Analysis of Geographic and Pairwise Distances among Chinese Cashmere Goat Populations

OpenAIRE

Liu, Jian-Bin; Wang, Fan; Lang, Xia; Zha, Xi; Sun, Xiao-Ping; Yue, Yao-Jing; Feng, Rui-Lin; Yang, Bo-Hui; Guo, Jian

2013-01-01

This study investigated the geographic and pairwise distances of nine Chinese local Cashmere goat populations through the analysis of 20 microsatellite DNA markers. Fluorescence PCR was used to identify the markers, which were selected based on their significance as identified by the Food and Agriculture Organization of the United Nations (FAO) and the International Society for Animal Genetics (ISAG). In total, 206 alleles were detected; the average allele number was 10.30; the polymorphism i...

A water market simulator considering pair-wise trades between agents

Science.gov (United States)

Huskova, I.; Erfani, T.; Harou, J. J.

2012-04-01

In many basins in England no further water abstraction licences are available. Trading water between water rights holders has been recognized as a potentially effective and economically efficient strategy to mitigate increasing scarcity. A screening tool that could assess the potential for trade through realistic simulation of individual water rights holders would help assess the solution's potential contribution to local water management. We propose an optimisation-driven water market simulator that predicts pair-wise trade in a catchment and represents its interaction with natural hydrology and engineered infrastructure. A model is used to emulate licence-holders' willingness to engage in short-term trade transactions. In their simplest form agents are represented using an economic benefit function. The working hypothesis is that trading behaviour can be partially predicted based on differences in marginal values of water over space and time and estimates of transaction costs on pair-wise trades. We discuss the further possibility of embedding rules, norms and preferences of the different water user sectors to more realistically represent the behaviours, motives and constraints of individual licence holders. The potential benefits and limitations of such a social simulation (agent-based) approach is contrasted with our simulator where agents are driven by economic optimization. A case study based on the Dove River Basin (UK) demonstrates model inputs and outputs. The ability of the model to suggest impacts of water rights policy reforms on trading is discussed.

Living network meta-analysis compared with pairwise meta-analysis in comparative effectiveness research: empirical study.

Science.gov (United States)

Nikolakopoulou, Adriani; Mavridis, Dimitris; Furukawa, Toshi A; Cipriani, Andrea; Tricco, Andrea C; Straus, Sharon E; Siontis, George C M; Egger, Matthias; Salanti, Georgia

2018-02-28

To examine whether the continuous updating of networks of prospectively planned randomised controlled trials (RCTs) ("living" network meta-analysis) provides strong evidence against the null hypothesis in comparative effectiveness of medical interventions earlier than the updating of conventional, pairwise meta-analysis. Empirical study of the accumulating evidence about the comparative effectiveness of clinical interventions. Database of network meta-analyses of RCTs identified through searches of Medline, Embase, and the Cochrane Database of Systematic Reviews until 14 April 2015. Network meta-analyses published after January 2012 that compared at least five treatments and included at least 20 RCTs. Clinical experts were asked to identify in each network the treatment comparison of greatest clinical interest. Comparisons were excluded for which direct and indirect evidence disagreed, based on side, or node, splitting test (Pmeta-analyses were performed for each selected comparison. Monitoring boundaries of statistical significance were constructed and the evidence against the null hypothesis was considered to be strong when the monitoring boundaries were crossed. A significance level was defined as α=5%, power of 90% (β=10%), and an anticipated treatment effect to detect equal to the final estimate from the network meta-analysis. The frequency and time to strong evidence was compared against the null hypothesis between pairwise and network meta-analyses. 49 comparisons of interest from 44 networks were included; most (n=39, 80%) were between active drugs, mainly from the specialties of cardiology, endocrinology, psychiatry, and rheumatology. 29 comparisons were informed by both direct and indirect evidence (59%), 13 by indirect evidence (27%), and 7 by direct evidence (14%). Both network and pairwise meta-analysis provided strong evidence against the null hypothesis for seven comparisons, but for an additional 10 comparisons only network meta-analysis provided

Pairwise correlations via quantum discord and its geometric measure in a four-qubit spin chain

Directory of Open Access Journals (Sweden)

Abdel-Baset A. Mohamed

2013-04-01

Full Text Available The dynamic of pairwise correlations, including quantum entanglement (QE and discord (QD with geometric measure of quantum discord (GMQD, are shown in the four-qubit Heisenberg XX spin chain. The results show that the effect of the entanglement degree of the initial state on the pairwise correlations is stronger for alternate qubits than it is for nearest-neighbor qubits. This parameter results in sudden death for QE, but it cannot do so for QD and GMQD. With different values for this entanglement parameter of the initial state, QD and GMQD differ and are sensitive for any change in this parameter. It is found that GMQD is more robust than both QD and QE to describe correlations with nonzero values, which offers a valuable resource for quantum computation.

Extraction of tacit knowledge from large ADME data sets via pairwise analysis.

Science.gov (United States)

Keefer, Christopher E; Chang, George; Kauffman, Gregory W

2011-06-15

Pharmaceutical companies routinely collect data across multiple projects for common ADME endpoints. Although at the time of collection the data is intended for use in decision making within a specific project, knowledge can be gained by data mining the entire cross-project data set for patterns of structure-activity relationships (SAR) that may be applied to any project. One such data mining method is pairwise analysis. This method has the advantage of being able to identify small structural changes that lead to significant changes in activity. In this paper, we describe the process for full pairwise analysis of our high-throughput ADME assays routinely used for compound discovery efforts at Pfizer (microsomal clearance, passive membrane permeability, P-gp efflux, and lipophilicity). We also describe multiple strategies for the application of these transforms in a prospective manner during compound design. Finally, a detailed analysis of the activity patterns in pairs of compounds that share the same molecular transformation reveals multiple types of transforms from an SAR perspective. These include bioisosteres, additives, multiplicatives, and a type we call switches as they act to either turn on or turn off an activity. Copyright © 2011 Elsevier Ltd. All rights reserved.

Hierarchical ordering with partial pairwise hierarchical relationships on the macaque brain data sets.

Directory of Open Access Journals (Sweden)

Woosang Lim

Full Text Available Hierarchical organizations of information processing in the brain networks have been known to exist and widely studied. To find proper hierarchical structures in the macaque brain, the traditional methods need the entire pairwise hierarchical relationships between cortical areas. In this paper, we present a new method that discovers hierarchical structures of macaque brain networks by using partial information of pairwise hierarchical relationships. Our method uses a graph-based manifold learning to exploit inherent relationship, and computes pseudo distances of hierarchical levels for every pair of cortical areas. Then, we compute hierarchy levels of all cortical areas by minimizing the sum of squared hierarchical distance errors with the hierarchical information of few cortical areas. We evaluate our method on the macaque brain data sets whose true hierarchical levels are known as the FV91 model. The experimental results show that hierarchy levels computed by our method are similar to the FV91 model, and its errors are much smaller than the errors of hierarchical clustering approaches.

Towards novel amino acid-base contacts in gene regulatory proteins: AraR--a case study.

Directory of Open Access Journals (Sweden)

Isabel Lopes Correia

Full Text Available AraR is a transcription factor involved in the regulation of carbon catabolism in Bacillus subtilis. This regulator belongs to the vast GntR family of helix-turn-helix (HTH bacterial metabolite-responsive transcription factors. In this study, AraR-DNA specific interactions were analysed by an in vitro missing-contact probing and validated using an in vivo model. We show that amino acid E30 of AraR, a highly conserved residue in GntR regulators, is indirectly responsible for the specificity of amino acid-base contacts, and that by mutating this residue it will be possible to achieve new specificities towards DNA contacts. The results highlight the importance in DNA recognition and binding of highly conserved residues across certain families of transcription factors that are located in the DNA-binding domain but not predicted to specifically contact bases on the DNA. These new findings not only contribute to a more detailed comprehension of AraR-operator interactions, but may also be useful for the establishment of a framework of rules governing protein-DNA recognition.

Contaminant Leach Testing of Hanford Tank 241-C-104 Residual Waste

Energy Technology Data Exchange (ETDEWEB)

Cantrell, Kirk J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Snyder, Michelle M.V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wang, Guohui [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Buck, Edgar C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2015-07-01

Leach testing of Tank C-104 residual waste was completed using batch and column experiments. Tank C-104 residual waste contains exceptionally high concentrations of uranium (i.e., as high as 115 mg/g or 11.5 wt.%). This study was conducted to provide data to develop contaminant release models for Tank C-104 residual waste and Tank C-104 residual waste that has been treated with lime to transform uranium in the waste to a highly insoluble calcium uranate (CaUO4) or similar phase. Three column leaching cases were investigated. In the first case, C-104 residual waste was leached with deionized water. In the second case, crushed grout was added to the column so that deionized water contacted the grout prior to contacting the waste. In the third case, lime was mixed in with the grout. Results of the column experiments demonstrate that addition of lime dramatically reduces the leachability of uranium from Tank C-104 residual waste. Initial indications suggest that CaUO4 or a similar highly insoluble calcium rich uranium phase forms as a result of the lime addition. Additional work is needed to definitively identify the uranium phases that occur in the as received waste and the waste after the lime treatment.

gRINN: a tool for calculation of residue interaction energies and protein energy network analysis of molecular dynamics simulations.

Science.gov (United States)

Serçinoglu, Onur; Ozbek, Pemra

2018-05-25

Atomistic molecular dynamics (MD) simulations generate a wealth of information related to the dynamics of proteins. If properly analyzed, this information can lead to new insights regarding protein function and assist wet-lab experiments. Aiming to identify interactions between individual amino acid residues and the role played by each in the context of MD simulations, we present a stand-alone software called gRINN (get Residue Interaction eNergies and Networks). gRINN features graphical user interfaces (GUIs) and a command-line interface for generating and analyzing pairwise residue interaction energies and energy correlations from protein MD simulation trajectories. gRINN utilizes the features of NAMD or GROMACS MD simulation packages and automatizes the steps necessary to extract residue-residue interaction energies from user-supplied simulation trajectories, greatly simplifying the analysis for the end-user. A GUI, including an embedded molecular viewer, is provided for visualization of interaction energy time-series, distributions, an interaction energy matrix, interaction energy correlations and a residue correlation matrix. gRINN additionally offers construction and analysis of Protein Energy Networks, providing residue-based metrics such as degrees, betweenness-centralities, closeness centralities as well as shortest path analysis. gRINN is free and open to all users without login requirement at http://grinn.readthedocs.io.

A noise-resistant ADSA-PH algorithm for superhydrophobic surface’s static contact angle evaluation

OpenAIRE

Z. N. Xu

2017-01-01

The blur around the contact points significantly decreases the evaluated static contact angle for superhydrophobic surface which is clearly presented in the paper. To improve the accuracy in the evaluated static contact angle for superhydrophobic surface, an accurate static contact angle algorithm, namely ADSA-PH (axisymmetric drop shape analysis-profile and height), is proposed. It discards the extracted drop edge points close to the contact points and makes use of the residual points and th...

Nonparametric predictive pairwise comparison with competing risks

International Nuclear Information System (INIS)

Coolen-Maturi, Tahani

2014-01-01

In reliability, failure data often correspond to competing risks, where several failure modes can cause a unit to fail. This paper presents nonparametric predictive inference (NPI) for pairwise comparison with competing risks data, assuming that the failure modes are independent. These failure modes could be the same or different among the two groups, and these can be both observed and unobserved failure modes. NPI is a statistical approach based on few assumptions, with inferences strongly based on data and with uncertainty quantified via lower and upper probabilities. The focus is on the lower and upper probabilities for the event that the lifetime of a future unit from one group, say Y, is greater than the lifetime of a future unit from the second group, say X. The paper also shows how the two groups can be compared based on particular failure mode(s), and the comparison of the two groups when some of the competing risks are combined is discussed

PairWise Neighbours database: overlaps and spacers among prokaryote genomes

Directory of Open Access Journals (Sweden)

Garcia-Vallvé Santiago

2009-06-01

Full Text Available Abstract Background Although prokaryotes live in a variety of habitats and possess different metabolic and genomic complexity, they have several genomic architectural features in common. The overlapping genes are a common feature of the prokaryote genomes. The overlapping lengths tend to be short because as the overlaps become longer they have more risk of deleterious mutations. The spacers between genes tend to be short too because of the tendency to reduce the non coding DNA among prokaryotes. However they must be long enough to maintain essential regulatory signals such as the Shine-Dalgarno (SD sequence, which is responsible of an efficient translation. Description PairWise Neighbours is an interactive and intuitive database used for retrieving information about the spacers and overlapping genes among bacterial and archaeal genomes. It contains 1,956,294 gene pairs from 678 fully sequenced prokaryote genomes and is freely available at the URL http://genomes.urv.cat/pwneigh. This database provides information about the overlaps and their conservation across species. Furthermore, it allows the wide analysis of the intergenic regions providing useful information such as the location and strength of the SD sequence. Conclusion There are experiments and bioinformatic analysis that rely on correct annotations of the initiation site. Therefore, a database that studies the overlaps and spacers among prokaryotes appears to be desirable. PairWise Neighbours database permits the reliability analysis of the overlapping structures and the study of the SD presence and location among the adjacent genes, which may help to check the annotation of the initiation sites.

Pairwise comparisons and visual perceptions of equal area polygons.

Science.gov (United States)

Adamic, P; Babiy, V; Janicki, R; Kakiashvili, T; Koczkodaj, W W; Tadeusiewicz, R

2009-02-01

The number of studies related to visual perception has been plentiful in recent years. Participants rated the areas of five randomly generated shapes of equal area, using a reference unit area that was displayed together with the shapes. Respondents were 179 university students from Canada and Poland. The average error estimated by respondents using the unit square was 25.75%. The error was substantially decreased to 5.51% when the shapes were compared to one another in pairs. This gain of 20.24% for this two-dimensional experiment was substantially better than the 11.78% gain reported in the previous one-dimensional experiments. This is the first statistically sound two-dimensional experiment demonstrating that pairwise comparisons improve accuracy.

Predicting community composition from pairwise interactions

Science.gov (United States)

Friedman, Jonathan; Higgins, Logan; Gore, Jeff

The ability to predict the structure of complex, multispecies communities is crucial for understanding the impact of species extinction and invasion on natural communities, as well as for engineering novel, synthetic communities. Communities are often modeled using phenomenological models, such as the classical generalized Lotka-Volterra (gLV) model. While a lot of our intuition comes from such models, their predictive power has rarely been tested experimentally. To directly assess the predictive power of this approach, we constructed synthetic communities comprised of up to 8 soil bacteria. We measured the outcome of competition between all species pairs, and used these measurements to predict the composition of communities composed of more than 2 species. The pairwise competitions resulted in a diverse set of outcomes, including coexistence, exclusion, and bistability, and displayed evidence for both interference and facilitation. Most pair outcomes could be captured by the gLV framework, and the composition of multispecies communities could be predicted for communities composed solely of such pairs. Our results demonstrate the predictive ability and utility of simple phenomenology, which enables accurate predictions in the absence of mechanistic details.

Co-Occurring Atomic Contacts for the Characterization of Protein Binding Hot Spots

Science.gov (United States)

Liu, Qian; Ren, Jing; Song, Jiangning; Li, Jinyan

2015-01-01

A binding hot spot is a small area at a protein-protein interface that can make significant contribution to binding free energy. This work investigates the substantial contribution made by some special co-occurring atomic contacts at a binding hot spot. A co-occurring atomic contact is a pair of atomic contacts that are close to each other with no more than three covalent-bond steps. We found that two kinds of co-occurring atomic contacts can play an important part in the accurate prediction of binding hot spot residues. One is the co-occurrence of two nearby hydrogen bonds. For example, mutations of any residue in a hydrogen bond network consisting of multiple co-occurring hydrogen bonds could disrupt the interaction considerably. The other kind of co-occurring atomic contact is the co-occurrence of a hydrophobic carbon contact and a contact between a hydrophobic carbon atom and a π ring. In fact, this co-occurrence signifies the collective effect of hydrophobic contacts. We also found that the B-factor measurements of several specific groups of amino acids are useful for the prediction of hot spots. Taking the B-factor, individual atomic contacts and the co-occurring contacts as features, we developed a new prediction method and thoroughly assessed its performance via cross-validation and independent dataset test. The results show that our method achieves higher prediction performance than well-known methods such as Robetta, FoldX and Hotpoint. We conclude that these contact descriptors, in particular the novel co-occurring atomic contacts, can be used to facilitate accurate and interpretable characterization of protein binding hot spots. PMID:26675422

The structure of pairwise correlation in mouse primary visual cortex reveals functional organization in the absence of an orientation map.

Science.gov (United States)

Denman, Daniel J; Contreras, Diego

2014-10-01

Neural responses to sensory stimuli are not independent. Pairwise correlation can reduce coding efficiency, occur independent of stimulus representation, or serve as an additional channel of information, depending on the timescale of correlation and the method of decoding. Any role for correlation depends on its magnitude and structure. In sensory areas with maps, like the orientation map in primary visual cortex (V1), correlation is strongly related to the underlying functional architecture, but it is unclear whether this correlation structure is an essential feature of the system or arises from the arrangement of cells in the map. We assessed the relationship between functional architecture and pairwise correlation by measuring both synchrony and correlated spike count variability in mouse V1, which lacks an orientation map. We observed significant pairwise synchrony, which was organized by distance and relative orientation preference between cells. We also observed nonzero correlated variability in both the anesthetized (0.16) and awake states (0.18). Our results indicate that the structure of pairwise correlation is maintained in the absence of an underlying anatomical organization and may be an organizing principle of the mammalian visual system preserved by nonrandom connectivity within local networks. © The Author 2013. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Optimal Definition of Inter-Residual Contact in Globular Proteins Based on Pairwise Interaction Energy Calculations, Its Robustness, and Applications

Czech Academy of Sciences Publication Activity Database

Fačkovec, Boris; Vondrášek, Jiří

2012-01-01

Roč. 116, č. 42 (2012), s. 12651-12660 ISSN 1520-6106 R&D Projects: GA ČR GAP208/10/0725; GA MŠk(CZ) LH11020 Institutional support: RVO:61388963 Keywords : egg-white lysozyme * force-field * 3-dimensional structure * thermophilic proteins * thermal-stability * mutant Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.607, year: 2012

Amino acid empirical contact energy definitions for fold recognition in the space of contact maps

Directory of Open Access Journals (Sweden)

Fogolari Federico

2003-02-01

Full Text Available Abstract Background Contradicting evidence has been presented in the literature concerning the effectiveness of empirical contact energies for fold recognition. Empirical contact energies are calculated on the basis of information available from selected protein structures, with respect to a defined reference state, according to the quasi-chemical approximation. Protein-solvent interactions are estimated from residue solvent accessibility. Results In the approach presented here, contact energies are derived from the potential of mean force theory, several definitions of contact are examined and their performance in fold recognition is evaluated on sets of decoy structures. The best definition of contact is tested, on a more realistic scenario, on all predictions including sidechains accepted in the CASP4 experiment. In 30 out of 35 cases the native structure is correctly recognized and best predictions are usually found among the 10 lowest energy predictions. Conclusion The definition of contact based on van der Waals radii of alpha carbon and side chain heavy atoms is seen to perform better than other definitions involving only alpha carbons, only beta carbons, all heavy atoms or only backbone atoms. An important prerequisite for the applicability of the approach is that the protein structure under study should not exhibit anomalous solvent accessibility, compared to soluble proteins whose structure is deposited in the Protein Data Bank. The combined evaluation of a solvent accessibility parameter and contact energy allows for an effective gross screening of predictive models.

A configuration space of homologous proteins conserving mutual information and allowing a phylogeny inference based on pair-wise Z-score probabilities

OpenAIRE

Maréchal Eric; Ortet Philippe; Roy Sylvaine; Bastien Olivier

2005-01-01

Abstract Background Popular methods to reconstruct molecular phylogenies are based on multiple sequence alignments, in which addition or removal of data may change the resulting tree topology. We have sought a representation of homologous proteins that would conserve the information of pair-wise sequence alignments, respect probabilistic properties of Z-scores (Monte Carlo methods applied to pair-wise comparisons) and be the basis for a novel method of consistent and stable phylogenetic recon...

Improving pairwise comparison of protein sequences with domain co-occurrence

Science.gov (United States)

Gascuel, Olivier

2018-01-01

Comparing and aligning protein sequences is an essential task in bioinformatics. More specifically, local alignment tools like BLAST are widely used for identifying conserved protein sub-sequences, which likely correspond to protein domains or functional motifs. However, to limit the number of false positives, these tools are used with stringent sequence-similarity thresholds and hence can miss several hits, especially for species that are phylogenetically distant from reference organisms. A solution to this problem is then to integrate additional contextual information to the procedure. Here, we propose to use domain co-occurrence to increase the sensitivity of pairwise sequence comparisons. Domain co-occurrence is a strong feature of proteins, since most protein domains tend to appear with a limited number of other domains on the same protein. We propose a method to take this information into account in a typical BLAST analysis and to construct new domain families on the basis of these results. We used Plasmodium falciparum as a case study to evaluate our method. The experimental findings showed an increase of 14% of the number of significant BLAST hits and an increase of 25% of the proteome area that can be covered with a domain. Our method identified 2240 new domains for which, in most cases, no model of the Pfam database could be linked. Moreover, our study of the quality of the new domains in terms of alignment and physicochemical properties show that they are close to that of standard Pfam domains. Source code of the proposed approach and supplementary data are available at: https://gite.lirmm.fr/menichelli/pairwise-comparison-with-cooccurrence PMID:29293498

40 CFR 180.435 - Deltamethrin; tolerances for residues.

Science.gov (United States)

2010-07-01

... in food handling establishments, including food service, manufacturing and processing establishments.... Contamination of food/feed or food/feed contact surfaces shall be avoided. (B) To assure safe use of the...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances...

40 CFR 180.422 - Tralomethrin; tolerances for residues.

Science.gov (United States)

2010-07-01

...-handling establishments, including food service, manufacturing, and processing establishments, such as... shall be limited to a maximum of 0.06 percent active ingredient. Contamination of food and food-contact...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances...

40 CFR 180.442 - Bifenthrin; tolerances for residues.

Science.gov (United States)

2010-07-01

... application of bifenthrin in food handling establishments, including food service, manufacturing and... ingredient. Contamination of food/feed or food/feed contact surfaces shall be avoided. (B) To assure safe use...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances...

40 CFR 180.108 - Acephate; tolerances for residues.

Science.gov (United States)

2010-07-01

... establishments, including food service, manufacturing and processing establishments, such as restaurants... avoid atomization or splashing of the spray. Contamination of food or food-contact surfaces shall be... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.108...

Probing dark energy models with extreme pairwise velocities of galaxy clusters from the DEUS-FUR simulations

Science.gov (United States)

Bouillot, Vincent R.; Alimi, Jean-Michel; Corasaniti, Pier-Stefano; Rasera, Yann

2015-06-01

Observations of colliding galaxy clusters with high relative velocity probe the tail of the halo pairwise velocity distribution with the potential of providing a powerful test of cosmology. As an example it has been argued that the discovery of the Bullet Cluster challenges standard Λ cold dark matter (ΛCDM) model predictions. Halo catalogues from N-body simulations have been used to estimate the probability of Bullet-like clusters. However, due to simulation volume effects previous studies had to rely on a Gaussian extrapolation of the pairwise velocity distribution to high velocities. Here, we perform a detail analysis using the halo catalogues from the Dark Energy Universe Simulation Full Universe Runs (DEUS-FUR), which enables us to resolve the high-velocity tail of the distribution and study its dependence on the halo mass definition, redshift and cosmology. Building upon these results, we estimate the probability of Bullet-like systems in the framework of Extreme Value Statistics. We show that the tail of extreme pairwise velocities significantly deviates from that of a Gaussian, moreover it carries an imprint of the underlying cosmology. We find the Bullet Cluster probability to be two orders of magnitude larger than previous estimates, thus easing the tension with the ΛCDM model. Finally, the comparison of the inferred probabilities for the different DEUS-FUR cosmologies suggests that observations of extreme interacting clusters can provide constraints on dark energy models complementary to standard cosmological tests.

Exact p-values for pairwise comparison of Friedman rank sums, with application to comparing classifiers

NARCIS (Netherlands)

Eisinga, R.N.; Heskes, T.M.; Pelzer, B.J.; Grotenhuis, H.F. te

2017-01-01

Background: The Friedman rank sum test is a widely-used nonparametric method in computational biology. In addition to examining the overall null hypothesis of no significant difference among any of the rank sums, it is typically of interest to conduct pairwise comparison tests. Current approaches to

A contact-lens-shaped IC chip technology

International Nuclear Information System (INIS)

Liu, Ching-Yu; Yang, Frank; Teng, Chih-Chiao; Fan, Long-Sheng

2014-01-01

We report on novel contact-lens-shaped silicon integrated circuit chip technology for applications such as forming a conforming retinal prosthesis. This is achieved by means of patterning thin films of high residual stress on top of a shaped thin silicon substrate. Several strategies are employed to achieve curvatures of various amounts. Firstly, high residual stress on a thin film makes a thin chip deform into a designed three-dimensional shape. Also, a series of patterned stress films and ‘petal-shaped’ chips were fabricated and analyzed. Large curvatures can also be formed and maintained by the packaging process of bonding the chips to constraining elements such as thin-film polymer ring structures. As a demonstration, a complementary metal oxide semiconductor transistor (CMOS) image-sensing retina chip is made into a contact-lens shape conforming to a human eyeball 12.5 mm in radius. This non-planar and flexible chip technology provides a desirable device surface interface to soft tissues or non-planar bio surfaces and opens up many other possibilities for biomedical applications. (paper)

Highly reproducible and reliable metal/graphene contact by ultraviolet-ozone treatment

Energy Technology Data Exchange (ETDEWEB)

Li, Wei [Key Laboratory for the Physics and Chemistry of Nanodevices and Department of Electronics, Peking University, Beijing 100871 (China); Physical Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Hacker, Christina A.; Cheng, Guangjun; Hight Walker, A. R.; Richter, Curt A.; Gundlach, David J., E-mail: david.gundlach@nist.gov, E-mail: liangxl@pku.edu.cn [Physical Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Liang, Yiran; Tian, Boyuan; Liang, Xuelei, E-mail: david.gundlach@nist.gov, E-mail: liangxl@pku.edu.cn; Peng, Lianmao [Key Laboratory for the Physics and Chemistry of Nanodevices and Department of Electronics, Peking University, Beijing 100871 (China)

2014-03-21

Resist residue from the device fabrication process is a significant source of contamination at the metal/graphene contact interface. Ultraviolet Ozone (UVO) treatment is proven here, by X-ray photoelectron spectroscopy and Raman measurement, to be an effective way of cleaning the metal/graphene interface. Electrical measurements of devices that were fabricated by using UVO treatment of the metal/graphene contact region show that stable and reproducible low resistance metal/graphene contacts are obtained and the electrical properties of the graphene channel remain unaffected.

Highly reproducible and reliable metal/graphene contact by ultraviolet-ozone treatment

International Nuclear Information System (INIS)

Li, Wei; Hacker, Christina A.; Cheng, Guangjun; Hight Walker, A. R.; Richter, Curt A.; Gundlach, David J.; Liang, Yiran; Tian, Boyuan; Liang, Xuelei; Peng, Lianmao

2014-01-01

Resist residue from the device fabrication process is a significant source of contamination at the metal/graphene contact interface. Ultraviolet Ozone (UVO) treatment is proven here, by X-ray photoelectron spectroscopy and Raman measurement, to be an effective way of cleaning the metal/graphene interface. Electrical measurements of devices that were fabricated by using UVO treatment of the metal/graphene contact region show that stable and reproducible low resistance metal/graphene contacts are obtained and the electrical properties of the graphene channel remain unaffected

Where is the line? Phylogeography and secondary contact of western Palearctic coal tits (Periparus ater: Aves, Passeriformes, Paridae)

DEFF Research Database (Denmark)

Pentzold, Stefan; Tritsch, Christian; Martens, Jochen

2013-01-01

-European delimitation of a postulated secondary contact zone among coal tits from the north-eastern Palearctic ater subspecies group and those from the south-western Palearctic abietum group. Generally, between population differentiation was greatest in the Mediterranean range, which was explained by a greater...... separation in multiple Pleistocene refuge areas compared to the lower differentiation across the northeastern Palearctic range. Genetic diversity indices were lowest on Mediterranean island populations as compared to continental populations. Pairwise ˚ST values were highest among island populations....... At the same time, at least four distinct genetic lineages emerged in eastern Eurasia, the nominate ater subspecies group being one of them. Finally, during the Holocene extant wide-range secondary contact in Europe was established via rapid westward range expansion from an East Asian refuge and via...

Evaluation on double-wall-tube residual stress distribution of sodium-heated steam generator by neutron diffraction and numerical analysis

International Nuclear Information System (INIS)

Kisohara, N.; Suzuki, H.; Akita, K.; Kasahara, N.

2012-01-01

A double-wall-tube is nominated for the steam generator heat transfer tube of future sodium fast reactors (SFRs) in Japan, to decrease the possibility of sodium/water reaction. The double-wall-tube consists of an inner tube and an outer tube, and they are mechanically contacted to keep the heat transfer of the interface between the inner and outer tubes by their residual stress. During long term SG operation, the contact stress at the interface gradually falls down due to stress relaxation. This phenomenon might increase the thermal resistance of the interface and degrade the tube heat transfer performance. The contact stress relaxation can be predicted by numerical analysis, and the analysis requires the data of the initial residual stress distributions in the tubes. However, unclear initial residual stress distributions prevent precious relaxation evaluation. In order to resolve this issue, a neutron diffraction method was employed to reveal the tri-axial (radius, hoop and longitudinal) initial residual stress distributions in the double-wall-tube. Strain gauges also were used to evaluate the contact stress. The measurement results were analyzed using a JAEA's structural computer code to determine the initial residual stress distributions. Based on the stress distributions, the structural computer code has predicted the transition of the relaxation and the decrease of the contact stress. The radial and longitudinal temperature distributions in the tubes were input to the structural analysis model. Since the radial thermal expansion difference between the inner (colder) and outer (hotter) tube reduces the contact stress and the tube inside steam pressure contributes to increasing it, the analytical model also took these effects into consideration. It has been conduced that the inner and outer tubes are contacted with sufficient stresses during the plant life time, and that effective heat transfer degradation dose not occur in the double-wall-tube SG. (authors)

Protein-protein docking with dynamic residue protonation states.

Directory of Open Access Journals (Sweden)

Krishna Praneeth Kilambi

2014-12-01

Full Text Available Protein-protein interactions depend on a host of environmental factors. Local pH conditions influence the interactions through the protonation states of the ionizable residues that can change upon binding. In this work, we present a pH-sensitive docking approach, pHDock, that can sample side-chain protonation states of five ionizable residues (Asp, Glu, His, Tyr, Lys on-the-fly during the docking simulation. pHDock produces successful local docking funnels in approximately half (79/161 the protein complexes, including 19 cases where standard RosettaDock fails. pHDock also performs better than the two control cases comprising docking at pH 7.0 or using fixed, predetermined protonation states. On average, the top-ranked pHDock structures have lower interface RMSDs and recover more native interface residue-residue contacts and hydrogen bonds compared to RosettaDock. Addition of backbone flexibility using a computationally-generated conformational ensemble further improves native contact and hydrogen bond recovery in the top-ranked structures. Although pHDock is designed to improve docking, it also successfully predicts a large pH-dependent binding affinity change in the Fc-FcRn complex, suggesting that it can be exploited to improve affinity predictions. The approaches in the study contribute to the goal of structural simulations of whole-cell protein-protein interactions including all the environmental factors, and they can be further expanded for pH-sensitive protein design.

CHARACTERIZING RESIDUE TRANSFER EFFICIENCIES USING A FLUORESCENT IMAGING TECHNIQUE

Science.gov (United States)

To reduce the uncertainty associated with current estimates of children's exposure to pesticides by dermal contact and indirect ingestion, residue transfer data are required. Prior to conducting exhaustive studies, a screening study to identify the important parameters for chara...

Analysis of Geographic and Pairwise Distances among Chinese Cashmere Goat Populations

Directory of Open Access Journals (Sweden)

Jian-Bin Liu

2013-03-01

Full Text Available This study investigated the geographic and pairwise distances of nine Chinese local Cashmere goat populations through the analysis of 20 microsatellite DNA markers. Fluorescence PCR was used to identify the markers, which were selected based on their significance as identified by the Food and Agriculture Organization of the United Nations (FAO and the International Society for Animal Genetics (ISAG. In total, 206 alleles were detected; the average allele number was 10.30; the polymorphism information content of loci ranged from 0.5213 to 0.7582; the number of effective alleles ranged from 4.0484 to 4.6178; the observed heterozygosity was from 0.5023 to 0.5602 for the practical sample; the expected heterozygosity ranged from 0.5783 to 0.6464; and Allelic richness ranged from 4.7551 to 8.0693. These results indicated that Chinese Cashmere goat populations exhibited rich genetic diversity. Further, the Wright’s F-statistics of subpopulation within total (FST was 0.1184; the genetic differentiation coefficient (GST was 0.0940; and the average gene flow (Nm was 2.0415. All pairwise FST values among the populations were highly significant (p<0.01 or p<0.001, suggesting that the populations studied should all be considered to be separate breeds. Finally, the clustering analysis divided the Chinese Cashmere goat populations into at least four clusters, with the Hexi and Yashan goat populations alone in one cluster. These results have provided useful, practical, and important information for the future of Chinese Cashmere goat breeding.

Numerical simulations of rough contacts between viscoelastic materials

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Spinu, S.; Cerlinca, D.

2017-08-01

The durability of the mechanical contact is often plagued by surface-related phenomena like rolling contact fatigue, wear or crack propagation, which are linked to the important gradients of stress arising in the contacting bodies due to interaction at the asperity level. The semi-analytical computational approach adopted in this paper is based on a previously reported algorithm capable of simulating the contact between bodies with arbitrary limiting surfaces and viscoelastic behaviour, which is enhanced and adapted for the contact of real surfaces with microtopography. As steep slopes at the asperity level inevitably lead to localized plastic deformation at the tip of the asperities that are first brought into contact, the viscoelastic behaviour is amended by limiting the maximum value of the pressure on the contact area to that of the material hardness, according to the Tabor equation. In this manner, plasticity is considered in a simplified manner that assures the knowledge of the contact area and of the pressure distribution without estimation of the residual state. The main advantage of this approach is the preservation of the algorithmic complexity, allowing the simulation of very fine meshes capable of capturing particular features of the investigated contacting surface. The newly advanced model is expected to predict the contact specifics of rough surfaces as resulting from various manufacturing processes, thus assisting the design of durable machine elements using elastomers or rubbers.

CNNcon: improved protein contact maps prediction using cascaded neural networks.

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Wang Ding

Full Text Available BACKGROUNDS: Despite continuing progress in X-ray crystallography and high-field NMR spectroscopy for determination of three-dimensional protein structures, the number of unsolved and newly discovered sequences grows much faster than that of determined structures. Protein modeling methods can possibly bridge this huge sequence-structure gap with the development of computational science. A grand challenging problem is to predict three-dimensional protein structure from its primary structure (residues sequence alone. However, predicting residue contact maps is a crucial and promising intermediate step towards final three-dimensional structure prediction. Better predictions of local and non-local contacts between residues can transform protein sequence alignment to structure alignment, which can finally improve template based three-dimensional protein structure predictors greatly. METHODS: CNNcon, an improved multiple neural networks based contact map predictor using six sub-networks and one final cascade-network, was developed in this paper. Both the sub-networks and the final cascade-network were trained and tested with their corresponding data sets. While for testing, the target protein was first coded and then input to its corresponding sub-networks for prediction. After that, the intermediate results were input to the cascade-network to finish the final prediction. RESULTS: The CNNcon can accurately predict 58.86% in average of contacts at a distance cutoff of 8 Å for proteins with lengths ranging from 51 to 450. The comparison results show that the present method performs better than the compared state-of-the-art predictors. Particularly, the prediction accuracy keeps steady with the increase of protein sequence length. It indicates that the CNNcon overcomes the thin density problem, with which other current predictors have trouble. This advantage makes the method valuable to the prediction of long length proteins. As a result, the effective

Pairwise registration of TLS point clouds using covariance descriptors and a non-cooperative game

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Zai, Dawei; Li, Jonathan; Guo, Yulan; Cheng, Ming; Huang, Pengdi; Cao, Xiaofei; Wang, Cheng

2017-12-01

It is challenging to automatically register TLS point clouds with noise, outliers and varying overlap. In this paper, we propose a new method for pairwise registration of TLS point clouds. We first generate covariance matrix descriptors with an adaptive neighborhood size from point clouds to find candidate correspondences, we then construct a non-cooperative game to isolate mutual compatible correspondences, which are considered as true positives. The method was tested on three models acquired by two different TLS systems. Experimental results demonstrate that our proposed adaptive covariance (ACOV) descriptor is invariant to rigid transformation and robust to noise and varying resolutions. The average registration errors achieved on three models are 0.46 cm, 0.32 cm and 1.73 cm, respectively. The computational times cost on these models are about 288 s, 184 s and 903 s, respectively. Besides, our registration framework using ACOV descriptors and a game theoretic method is superior to the state-of-the-art methods in terms of both registration error and computational time. The experiment on a large outdoor scene further demonstrates the feasibility and effectiveness of our proposed pairwise registration framework.

Refining intra-protein contact prediction by graph analysis

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Eyal Eran

2007-05-01

Full Text Available Abstract Background Accurate prediction of intra-protein residue contacts from sequence information will allow the prediction of protein structures. Basic predictions of such specific contacts can be further refined by jointly analyzing predicted contacts, and by adding information on the relative positions of contacts in the protein primary sequence. Results We introduce a method for graph analysis refinement of intra-protein contacts, termed GARP. Our previously presented intra-contact prediction method by means of pair-to-pair substitution matrix (P2PConPred was used to test the GARP method. In our approach, the top contact predictions obtained by a basic prediction method were used as edges to create a weighted graph. The edges were scored by a mutual clustering coefficient that identifies highly connected graph regions, and by the density of edges between the sequence regions of the edge nodes. A test set of 57 proteins with known structures was used to determine contacts. GARP improves the accuracy of the P2PConPred basic prediction method in whole proteins from 12% to 18%. Conclusion Using a simple approach we increased the contact prediction accuracy of a basic method by 1.5 times. Our graph approach is simple to implement, can be used with various basic prediction methods, and can provide input for further downstream analyses.

Convergent cross-mapping and pairwise asymmetric inference.

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McCracken, James M; Weigel, Robert S

2014-12-01

Convergent cross-mapping (CCM) is a technique for computing specific kinds of correlations between sets of times series. It was introduced by Sugihara et al. [Science 338, 496 (2012).] and is reported to be "a necessary condition for causation" capable of distinguishing causality from standard correlation. We show that the relationships between CCM correlations proposed by Sugihara et al. do not, in general, agree with intuitive concepts of "driving" and as such should not be considered indicative of causality. It is shown that the fact that the CCM algorithm implies causality is a function of system parameters for simple linear and nonlinear systems. For example, in a circuit containing a single resistor and inductor, both voltage and current can be identified as the driver depending on the frequency of the source voltage. It is shown that the CCM algorithm, however, can be modified to identify relationships between pairs of time series that are consistent with intuition for the considered example systems for which CCM causality analysis provided nonintuitive driver identifications. This modification of the CCM algorithm is introduced as "pairwise asymmetric inference" (PAI) and examples of its use are presented.

Detection of the pairwise kinematic Sunyaev-Zel'dovich effect with BOSS DR11 and the Atacama Cosmology Telescope

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Bernardis, F. De; Vavagiakis, E.M.; Niemack, M.D.; Gallardo, P.A. [Department of Physics, Cornell University, Ithaca, NY 14853 (United States); Aiola, S. [Department of Physics and Astronomy, University of Pittsburgh, and Pittsburgh Particle Physics, Astrophysics, and Cosmology Center, 3941 O' Hara Street, Pittsburgh, PA 15260 (United States); Battaglia, N. [Department of Astrophysical Sciences, Peyton Hall, Princeton University, Princeton, NJ 08544 (United States); Beall, J.; Becker, D.T.; Cho, H.; Fox, A. [National Institute of Standards and Technology, Boulder, CO 80305 (United States); Bond, J.R. [CITA, University of Toronto, 60 St. George St., Toronto, ON M5S 3H8 (Canada); Calabrese, E.; Dunkley, J. [Sub-Department of Astrophysics, University of Oxford, Keble Road, Oxford, OX1 3RH (United Kingdom); Coughlin, K.; Datta, R. [Department of Physics, University of Michigan Ann Arbor, MI 48109 (United States); Devlin, M. [Department of Physics and Astronomy, University of Pennsylvania, 209 South 33rd Street, Philadelphia, PA 19104 (United States); Dunner, R. [Instituto de Astrofísica and Centro de Astro-Ingeniería, Facultad de Física, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, 7820436 Macul, Santiago (Chile); Ferraro, S. [Miller Institute for Basic Research in Science, University of California, Berkeley, CA 94720 (United States); Halpern, M. [University of British Columbia, Department of Physics and Astronomy, 6224 Agricultural Road, Vancouver BC V6T 1Z1 (Canada); Hand, N., E-mail: fdeberna@gmail.com [Astronomy Department, University of California, Berkeley, CA 94720 (United States); and others

2017-03-01

We present a new measurement of the kinematic Sunyaev-Zel'dovich effect using data from the Atacama Cosmology Telescope (ACT) and the Baryon Oscillation Spectroscopic Survey (BOSS). Using 600 square degrees of overlapping sky area, we evaluate the mean pairwise baryon momentum associated with the positions of 50,000 bright galaxies in the BOSS DR11 Large Scale Structure catalog. A non-zero signal arises from the large-scale motions of halos containing the sample galaxies. The data fits an analytical signal model well, with the optical depth to microwave photon scattering as a free parameter determining the overall signal amplitude. We estimate the covariance matrix of the mean pairwise momentum as a function of galaxy separation, using microwave sky simulations, jackknife evaluation, and bootstrap estimates. The most conservative simulation-based errors give signal-to-noise estimates between 3.6 and 4.1 for varying galaxy luminosity cuts. We discuss how the other error determinations can lead to higher signal-to-noise values, and consider the impact of several possible systematic errors. Estimates of the optical depth from the average thermal Sunyaev-Zel'dovich signal at the sample galaxy positions are broadly consistent with those obtained from the mean pairwise momentum signal.

Ensemble survival tree models to reveal pairwise interactions of variables with time-to-events outcomes in low-dimensional setting

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Dazard, Jean-Eudes; Ishwaran, Hemant; Mehlotra, Rajeev; Weinberg, Aaron; Zimmerman, Peter

2018-01-01

Unraveling interactions among variables such as genetic, clinical, demographic and environmental factors is essential to understand the development of common and complex diseases. To increase the power to detect such variables interactions associated with clinical time-to-events outcomes, we borrowed established concepts from random survival forest (RSF) models. We introduce a novel RSF-based pairwise interaction estimator and derive a randomization method with bootstrap confidence intervals for inferring interaction significance. Using various linear and nonlinear time-to-events survival models in simulation studies, we first show the efficiency of our approach: true pairwise interaction-effects between variables are uncovered, while they may not be accompanied with their corresponding main-effects, and may not be detected by standard semi-parametric regression modeling and test statistics used in survival analysis. Moreover, using a RSF-based cross-validation scheme for generating prediction estimators, we show that informative predictors may be inferred. We applied our approach to an HIV cohort study recording key host gene polymorphisms and their association with HIV change of tropism or AIDS progression. Altogether, this shows how linear or nonlinear pairwise statistical interactions of variables may be efficiently detected with a predictive value in observational studies with time-to-event outcomes. PMID:29453930

The impact of cellular debris on Pseudomonas aeruginosa adherence to silicone hydrogel contact lenses and contact lens storage cases.

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Burnham, Geoffrey W; Cavanagh, H Dwight; Robertson, Danielle M

2012-01-01

To evaluate neutrophil-enhanced Pseudomonas aeruginosa (PA) biofilm formation on silicone hydrogel contact lenses and to determine the effect of epithelial biodebris on PA adherence in contact lens storage cases. A fully invasive PA corneal isolate stably conjugated to green fluorescent protein was used. Unworn lotrafilcon A contact lenses were incubated at various ratios of PA to polymorphonuclear neutrophil (PMN) for 24 hours at 37°C. Lens-associated PA was evaluated using laser scanning confocal microscopy and nonviable PA were visualized using propidium iodide. Viable bacteria were enumerated by colony-forming unit (CFU) analysis. For acute epithelial cell studies, PA viability was determined after coincubation with freeze-thaw epithelial cell lysates in 96-well polystyrene plates. Levels of residual cellular debris and bacterial viability were further assessed in used contact lens storage cases. Laser scanning confocal microscopy demonstrated that cotreatment with PMA-stimulated neutrophils increased PA adherence over 24 hours to lens surfaces with a striking alteration of PA architecture. Propidium iodide staining showed that the adherent bacteria consisted of a mixture of viable and nonviable PA; a PMN-associated increase in viable PA was confirmed by CFU (PA:PMN 0.1:1, P = 0.025; PA:PMN 1:1, P = 0.005). Acute epithelial cell debris studies revealed a significant increase in viable PA in 96-well plates in the presence of epithelial freeze-thaw lysates (PA:debris 1:1, P = 0.002; PA:debris 100:1, P = 0.002). Crystal violet staining of used lens storage cases revealed residual cellular debris at all time points, which was independent of microbial contamination; all lens cases used for periods of 9 months or more were uniformly associated with high levels of viable microorganisms. These results demonstrate that prolonged corneal inflammation with the presence of PMNs when confronted with simultaneous PA challenge in extended contact lens wear has the potential

Memory-efficient dynamic programming backtrace and pairwise local sequence alignment.

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Newberg, Lee A

2008-08-15

A backtrace through a dynamic programming algorithm's intermediate results in search of an optimal path, or to sample paths according to an implied probability distribution, or as the second stage of a forward-backward algorithm, is a task of fundamental importance in computational biology. When there is insufficient space to store all intermediate results in high-speed memory (e.g. cache) existing approaches store selected stages of the computation, and recompute missing values from these checkpoints on an as-needed basis. Here we present an optimal checkpointing strategy, and demonstrate its utility with pairwise local sequence alignment of sequences of length 10,000. Sample C++-code for optimal backtrace is available in the Supplementary Materials. Supplementary data is available at Bioinformatics online.

Benefits of Using Pairwise Trajectory Management in the Central East Pacific

Science.gov (United States)

Chartrand, Ryan; Ballard, Kathryn

2017-01-01

Pairwise Trajectory Management (PTM) is a concept that utilizes airborne and ground-based capabilities to enable airborne spacing operations in procedural airspace. This concept makes use of updated ground automation, Automatic Dependent Surveillance-Broadcast (ADS-B) and on board avionics generating real time guidance. An experiment was conducted to examine the potential benefits of implementing PTM in the Central East Pacific oceanic region. An explanation of the experiment and some of the results are included in this paper. The PTM concept allowed for an increase in the average time an aircraft is able to spend at its desired flight level and a reduction in fuel burn.

A configuration space of homologous proteins conserving mutual information and allowing a phylogeny inference based on pair-wise Z-score probabilities.

Science.gov (United States)

Bastien, Olivier; Ortet, Philippe; Roy, Sylvaine; Maréchal, Eric

2005-03-10

Popular methods to reconstruct molecular phylogenies are based on multiple sequence alignments, in which addition or removal of data may change the resulting tree topology. We have sought a representation of homologous proteins that would conserve the information of pair-wise sequence alignments, respect probabilistic properties of Z-scores (Monte Carlo methods applied to pair-wise comparisons) and be the basis for a novel method of consistent and stable phylogenetic reconstruction. We have built up a spatial representation of protein sequences using concepts from particle physics (configuration space) and respecting a frame of constraints deduced from pair-wise alignment score properties in information theory. The obtained configuration space of homologous proteins (CSHP) allows the representation of real and shuffled sequences, and thereupon an expression of the TULIP theorem for Z-score probabilities. Based on the CSHP, we propose a phylogeny reconstruction using Z-scores. Deduced trees, called TULIP trees, are consistent with multiple-alignment based trees. Furthermore, the TULIP tree reconstruction method provides a solution for some previously reported incongruent results, such as the apicomplexan enolase phylogeny. The CSHP is a unified model that conserves mutual information between proteins in the way physical models conserve energy. Applications include the reconstruction of evolutionary consistent and robust trees, the topology of which is based on a spatial representation that is not reordered after addition or removal of sequences. The CSHP and its assigned phylogenetic topology, provide a powerful and easily updated representation for massive pair-wise genome comparisons based on Z-score computations.

A configuration space of homologous proteins conserving mutual information and allowing a phylogeny inference based on pair-wise Z-score probabilities

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Maréchal Eric

2005-03-01

Full Text Available Abstract Background Popular methods to reconstruct molecular phylogenies are based on multiple sequence alignments, in which addition or removal of data may change the resulting tree topology. We have sought a representation of homologous proteins that would conserve the information of pair-wise sequence alignments, respect probabilistic properties of Z-scores (Monte Carlo methods applied to pair-wise comparisons and be the basis for a novel method of consistent and stable phylogenetic reconstruction. Results We have built up a spatial representation of protein sequences using concepts from particle physics (configuration space and respecting a frame of constraints deduced from pair-wise alignment score properties in information theory. The obtained configuration space of homologous proteins (CSHP allows the representation of real and shuffled sequences, and thereupon an expression of the TULIP theorem for Z-score probabilities. Based on the CSHP, we propose a phylogeny reconstruction using Z-scores. Deduced trees, called TULIP trees, are consistent with multiple-alignment based trees. Furthermore, the TULIP tree reconstruction method provides a solution for some previously reported incongruent results, such as the apicomplexan enolase phylogeny. Conclusion The CSHP is a unified model that conserves mutual information between proteins in the way physical models conserve energy. Applications include the reconstruction of evolutionary consistent and robust trees, the topology of which is based on a spatial representation that is not reordered after addition or removal of sequences. The CSHP and its assigned phylogenetic topology, provide a powerful and easily updated representation for massive pair-wise genome comparisons based on Z-score computations.

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations

International Nuclear Information System (INIS)

Hardy, David J.; Schulten, Klaus; Wolff, Matthew A.; Skeel, Robert D.; Xia, Jianlin

2016-01-01

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation method (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle–mesh Ewald method falls short.

Rolling Contact Fatigue Performances of Carburized and High-C Nanostructured Bainitic Steels

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Yanhui Wang

2016-11-01

Full Text Available In the present work, the nanostructured bainitic microstructures were obtained at the surfaces of a carburized steel and a high-C steel. The rolling contact fatigue (RCF performances of the two alloy steels with the same volume fraction of undissolved carbide were studied under lubrication. Results show that the RCF life of the carburized nanostructured bainitic steel is superior to that of the high-C nanostructured bainitic steel in spite of the chemical composition, phase constituent, plate thickness of bainitic ferrite, hardness, and residual compressive stress value of the contact surfaces of the two steels under roughly similar conditions. The excellent RCF performance of the carburized nanostructured bainitic steel is mainly attributed to the following reasons: finer carbide dispersion distribution in the top surface, the higher residual compressive stress values in the carburized layer, the deeper residual compressive stress layer, the higher work hardening ability, the larger amount of retained austenite transforming into martensite at the surface and the more stable untransformed retained austenite left in the top surface of the steel.

Rolling Contact Fatigue Performances of Carburized and High-C Nanostructured Bainitic Steels.

Science.gov (United States)

Wang, Yanhui; Zhang, Fucheng; Yang, Zhinan; Lv, Bo; Zheng, Chunlei

2016-11-25

In the present work, the nanostructured bainitic microstructures were obtained at the surfaces of a carburized steel and a high-C steel. The rolling contact fatigue (RCF) performances of the two alloy steels with the same volume fraction of undissolved carbide were studied under lubrication. Results show that the RCF life of the carburized nanostructured bainitic steel is superior to that of the high-C nanostructured bainitic steel in spite of the chemical composition, phase constituent, plate thickness of bainitic ferrite, hardness, and residual compressive stress value of the contact surfaces of the two steels under roughly similar conditions. The excellent RCF performance of the carburized nanostructured bainitic steel is mainly attributed to the following reasons: finer carbide dispersion distribution in the top surface, the higher residual compressive stress values in the carburized layer, the deeper residual compressive stress layer, the higher work hardening ability, the larger amount of retained austenite transforming into martensite at the surface and the more stable untransformed retained austenite left in the top surface of the steel.

ConKit: a python interface to contact predictions.

Science.gov (United States)

Simkovic, Felix; Thomas, Jens M H; Rigden, Daniel J

2017-07-15

Recent advances in protein residue contact prediction algorithms have led to the emergence of many new methods and a variety of file formats. We present ConKit , an open source, modular and extensible Python interface which allows facile conversion between formats and provides an interface to analyses of sequence alignments and sets of contact predictions. ConKit is available via the Python Package Index. The documentation can be found at http://www.conkit.org . ConKit is licensed under the BSD 3-Clause. hlfsimko@liverpool.ac.uk or drigden@liverpool.ac.uk. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

Calibration of Smartphone-Based Weather Measurements Using Pairwise Gossip.

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Zamora, Jane Louie Fresco; Kashihara, Shigeru; Yamaguchi, Suguru

2015-01-01

Accurate and reliable daily global weather reports are necessary for weather forecasting and climate analysis. However, the availability of these reports continues to decline due to the lack of economic support and policies in maintaining ground weather measurement systems from where these reports are obtained. Thus, to mitigate data scarcity, it is required to utilize weather information from existing sensors and built-in smartphone sensors. However, as smartphone usage often varies according to human activity, it is difficult to obtain accurate measurement data. In this paper, we present a heuristic-based pairwise gossip algorithm that will calibrate smartphone-based pressure sensors with respect to fixed weather stations as our referential ground truth. Based on actual measurements, we have verified that smartphone-based readings are unstable when observed during movement. Using our calibration algorithm on actual smartphone-based pressure readings, the updated values were significantly closer to the ground truth values.

Contact topical anesthesia for strabismus surgery in adult patients.

Science.gov (United States)

Vallés-Torres, J; García-Martín, E; Peña-Calvo, P; Sanjuan-Villarreal, A; Gil-Arribas, L M; Fernández-Tirado, F J

2015-05-01

To analyze the effectiveness and usefulness of contact topical anesthesia in strabismus surgery in adult patients. A prospective study was conducted on 20 patients undergoing strabismus surgery using contact topical anesthesia and sedation with remifentanil. The intensity of pain was recorded using a numeric pain rating scale at the time of anesthesia implementation, during the surgical procedure, 30 min afterwards, and during the first postoperative day. The incidence of oculocardiac reflex, postoperative nausea and vomiting, corneal ulcers, patient satisfaction (numerically from 0 to 10) and the degree of residual ocular deviation were also assessed. The operation was performed successfully in all patients. Average pain intensity was 1.40 ± 1.73 during anesthesia implementation, 4.20 ± 2.57 during the surgical procedure, 2.50 ± 2.54 30 min after surgery, and 3.55 ± 2.89 during the first postoperative day. Oculocardiac reflex was observed in 7 patients (35%), postoperative nausea and vomiting in 4 (20%), and corneal ulcer in 4 (20%). The patient satisfaction was 9.53 ± 2.51. More than two-thirds (70%) of patients had a residual ocular deviation less than 10 prism diopters. Contact topical anesthesia is a safe and effective alternative for strabismus surgery in adult patients. Contact topical anesthesia provides adequate pain control, lower incidence of postoperative nausea and vomiting and oculocardiac reflex, and optimal setting of ocular alignment. Copyright © 2014 Sociedad Española de Anestesiología, Reanimación y Terapéutica del Dolor. Publicado por Elsevier España, S.L.U. All rights reserved.

DBAC: A simple prediction method for protein binding hot spots based on burial levels and deeply buried atomic contacts

Science.gov (United States)

2011-01-01

Background A protein binding hot spot is a cluster of residues in the interface that are energetically important for the binding of the protein with its interaction partner. Identifying protein binding hot spots can give useful information to protein engineering and drug design, and can also deepen our understanding of protein-protein interaction. These residues are usually buried inside the interface with very low solvent accessible surface area (SASA). Thus SASA is widely used as an outstanding feature in hot spot prediction by many computational methods. However, SASA is not capable of distinguishing slightly buried residues, of which most are non hot spots, and deeply buried ones that are usually inside a hot spot. Results We propose a new descriptor called “burial level” for characterizing residues, atoms and atomic contacts. Specifically, burial level captures the depth the residues are buried. We identify different kinds of deeply buried atomic contacts (DBAC) at different burial levels that are directly broken in alanine substitution. We use their numbers as input for SVM to classify between hot spot or non hot spot residues. We achieve F measure of 0.6237 under the leave-one-out cross-validation on a data set containing 258 mutations. This performance is better than other computational methods. Conclusions Our results show that hot spot residues tend to be deeply buried in the interface, not just having a low SASA value. This indicates that a high burial level is not only a necessary but also a more sufficient condition than a low SASA for a residue to be a hot spot residue. We find that those deeply buried atoms become increasingly more important when their burial levels rise up. This work also confirms the contribution of deeply buried interfacial atomic contacts to the energy of protein binding hot spot. PMID:21689480

Statistical pairwise interaction model of stock market

Science.gov (United States)

Bury, Thomas

2013-03-01

Financial markets are a classical example of complex systems as they are compound by many interacting stocks. As such, we can obtain a surprisingly good description of their structure by making the rough simplification of binary daily returns. Spin glass models have been applied and gave some valuable results but at the price of restrictive assumptions on the market dynamics or they are agent-based models with rules designed in order to recover some empirical behaviors. Here we show that the pairwise model is actually a statistically consistent model with the observed first and second moments of the stocks orientation without making such restrictive assumptions. This is done with an approach only based on empirical data of price returns. Our data analysis of six major indices suggests that the actual interaction structure may be thought as an Ising model on a complex network with interaction strengths scaling as the inverse of the system size. This has potentially important implications since many properties of such a model are already known and some techniques of the spin glass theory can be straightforwardly applied. Typical behaviors, as multiple equilibria or metastable states, different characteristic time scales, spatial patterns, order-disorder, could find an explanation in this picture.

Two-dimensional 1H NMR experiments show that the 23-residue magain in antibiotic peptide is an α-helix in dodecylphosphocholine micelles, sodium dodecylsulfate micelles, and trifluoroethanol/water solution

International Nuclear Information System (INIS)

Gesell, Jennifer; Zasloff, Michael; Opella, Stanley J.

1997-01-01

Magainin2 is a 23-residue antibiotic peptide that disrupts the ionic gradient across certain cell membranes. Two-dimensional 1H NMR spectroscopy was used to investigate the structure of the peptide in three of the membrane environments most commonly employed in biophysical studies. Sequence-specific resonance assignments were determined for the peptide in perdeuterated dodecylphosphocholine (DPC) and sodium dodecylsulfate micelles and confirmed for the peptide in 2,2,2-trifluoroethanol solution. The secondary structure is shown to be helical in all of the solvent systems. The NMR data were used as a set of restraints for a simulated annealing protocol that generated a family of three-dimensional structures of the peptide in DPC micelles, which superimposed best between residues 4 and 20. For these residues, the mean pairwise rms difference for the backbone atoms is 0.47 ± 0.10A from the average structure. The calculated peptide structures appear to be curved,with the bend centered at residues Phe12 and Gly13

Applications of contact predictions to structural biology

Directory of Open Access Journals (Sweden)

Felix Simkovic

2017-05-01

Full Text Available Evolutionary pressure on residue interactions, intramolecular or intermolecular, that are important for protein structure or function can lead to covariance between the two positions. Recent methodological advances allow much more accurate contact predictions to be derived from this evolutionary covariance signal. The practical application of contact predictions has largely been confined to structural bioinformatics, yet, as this work seeks to demonstrate, the data can be of enormous value to the structural biologist working in X-ray crystallography, cryo-EM or NMR. Integrative structural bioinformatics packages such as Rosetta can already exploit contact predictions in a variety of ways. The contribution of contact predictions begins at construct design, where structural domains may need to be expressed separately and contact predictions can help to predict domain limits. Structure solution by molecular replacement (MR benefits from contact predictions in diverse ways: in difficult cases, more accurate search models can be constructed using ab initio modelling when predictions are available, while intermolecular contact predictions can allow the construction of larger, oligomeric search models. Furthermore, MR using supersecondary motifs or large-scale screens against the PDB can exploit information, such as the parallel or antiparallel nature of any β-strand pairing in the target, that can be inferred from contact predictions. Contact information will be particularly valuable in the determination of lower resolution structures by helping to assign sequence register. In large complexes, contact information may allow the identity of a protein responsible for a certain region of density to be determined and then assist in the orientation of an available model within that density. In NMR, predicted contacts can provide long-range information to extend the upper size limit of the technique in a manner analogous but complementary to experimental

Reverse-contact UV nanoimprint lithography for multilayered structure fabrication

DEFF Research Database (Denmark)

Kehagias, N.; Reboud, V.; Chansin, G.

2007-01-01

In this paper, we report results on a newly developed nanofabrication technique, namely reverse-contact UV nanoimprint lithography. This technique is a combination of nanoimprint lithography and contact printing lithography. In this process, a lift-off resist and a UV cross-linkable polymer...... are spin-coated successively onto a patterned UV mask-mould. These thin polymer films are then transferred from the mould to the substrate by contact at a suitable temperature and pressure. The whole assembly is then exposed to UV light. After separation of the mould and the substrate, the unexposed...... polymer areas are dissolved in a developer solution leaving behind the negative features of the original stamp. This method delivers resist pattern transfer without a residual layer, thereby rending unnecessary the etching steps typically needed in the imprint lithography techniques for three...

Efficiency Improvement of Some Agricultural Residue Modified Materials for Textile Dyes Absorption

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Boonsong, P.; Paksamut, J.

2018-03-01

In this work, the adsorption efficiency was investigated of some agricultural residue modified materials as natural bio-adsorbents which were rice straw (Oryza sativa L.) and pineapple leaves (Ananas comosus (L.) Merr.) for the removal of textile dyes. Reactive dyes were used in this research. The improvement procedure of agricultural residue materials properties were alkali-acid modification with sodium hydroxide solution and hydrochloric acid solution. Adsorption performance has been investigated using batch experiments. Investigated adsorption factors consisted of adsorbent dose, contact time, adsorbent materials and pH of solution. The results were found that rice straw had higher adsorption capacity than pineapple leaves. The increasing of adsorption capacity depends on adsorbent dose and contact time. Moreover, the optimum pH for dye adsorption was acidic range because lowering pH increased the positively charges on the adsorbent surface which could be attacked by negatively charge of acid dyes. The agricultural residue modified materials had significant dye removal efficiency which these adsorbents could be used for the treatment of textile effluent in industries.

The pairwise disconnectivity index as a new metric for the topological analysis of regulatory networks

Directory of Open Access Journals (Sweden)

Wingender Edgar

2008-05-01

Full Text Available Abstract Background Currently, there is a gap between purely theoretical studies of the topology of large bioregulatory networks and the practical traditions and interests of experimentalists. While the theoretical approaches emphasize the global characterization of regulatory systems, the practical approaches focus on the role of distinct molecules and genes in regulation. To bridge the gap between these opposite approaches, one needs to combine 'general' with 'particular' properties and translate abstract topological features of large systems into testable functional characteristics of individual components. Here, we propose a new topological parameter – the pairwise disconnectivity index of a network's element – that is capable of such bridging. Results The pairwise disconnectivity index quantifies how crucial an individual element is for sustaining the communication ability between connected pairs of vertices in a network that is displayed as a directed graph. Such an element might be a vertex (i.e., molecules, genes, an edge (i.e., reactions, interactions, as well as a group of vertices and/or edges. The index can be viewed as a measure of topological redundancy of regulatory paths which connect different parts of a given network and as a measure of sensitivity (robustness of this network to the presence (absence of each individual element. Accordingly, we introduce the notion of a path-degree of a vertex in terms of its corresponding incoming, outgoing and mediated paths, respectively. The pairwise disconnectivity index has been applied to the analysis of several regulatory networks from various organisms. The importance of an individual vertex or edge for the coherence of the network is determined by the particular position of the given element in the whole network. Conclusion Our approach enables to evaluate the effect of removing each element (i.e., vertex, edge, or their combinations from a network. The greatest potential value of

VoroMQA: Assessment of protein structure quality using interatomic contact areas.

Science.gov (United States)

Olechnovič, Kliment; Venclovas, Česlovas

2017-06-01

In the absence of experimentally determined protein structure many biological questions can be addressed using computational structural models. However, the utility of protein structural models depends on their quality. Therefore, the estimation of the quality of predicted structures is an important problem. One of the approaches to this problem is the use of knowledge-based statistical potentials. Such methods typically rely on the statistics of distances and angles of residue-residue or atom-atom interactions collected from experimentally determined structures. Here, we present VoroMQA (Voronoi tessellation-based Model Quality Assessment), a new method for the estimation of protein structure quality. Our method combines the idea of statistical potentials with the use of interatomic contact areas instead of distances. Contact areas, derived using Voronoi tessellation of protein structure, are used to describe and seamlessly integrate both explicit interactions between protein atoms and implicit interactions of protein atoms with solvent. VoroMQA produces scores at atomic, residue, and global levels, all in the fixed range from 0 to 1. The method was tested on the CASP data and compared to several other single-model quality assessment methods. VoroMQA showed strong performance in the recognition of the native structure and in the structural model selection tests, thus demonstrating the efficacy of interatomic contact areas in estimating protein structure quality. The software implementation of VoroMQA is freely available as a standalone application and as a web server at http://bioinformatics.lt/software/voromqa. Proteins 2017; 85:1131-1145. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Calibration of Smartphone-Based Weather Measurements Using Pairwise Gossip

Directory of Open Access Journals (Sweden)

Jane Louie Fresco Zamora

2015-01-01

Full Text Available Accurate and reliable daily global weather reports are necessary for weather forecasting and climate analysis. However, the availability of these reports continues to decline due to the lack of economic support and policies in maintaining ground weather measurement systems from where these reports are obtained. Thus, to mitigate data scarcity, it is required to utilize weather information from existing sensors and built-in smartphone sensors. However, as smartphone usage often varies according to human activity, it is difficult to obtain accurate measurement data. In this paper, we present a heuristic-based pairwise gossip algorithm that will calibrate smartphone-based pressure sensors with respect to fixed weather stations as our referential ground truth. Based on actual measurements, we have verified that smartphone-based readings are unstable when observed during movement. Using our calibration algorithm on actual smartphone-based pressure readings, the updated values were significantly closer to the ground truth values.

High performance MoS2 TFT using graphene contact first process

Directory of Open Access Journals (Sweden)

Chih-Shiang Chang Chien

2017-08-01

Full Text Available An ohmic contact of graphene/MoS2 heterostructure is determined by using ultraviolet photoelectron spectroscopy (UPS. Since graphene shows a great potential to replace metal contact, a direct comparison of Cr/Au contact and graphene contact on the MoS2 thin film transistor (TFT is made. Different from metal contacts, the work function of graphene can be modulated. As a result, the subthreshold swing can be improved. And when Vgcontact can achieve lower off current by lowering the Fermi level. To further improve the performance of MoS2 TFT, a new method using graphene contact first and MoS2 layer last process that can avoid PMMA residue and high processing temperature is applied. MoS2 TFT using this method shows on/off current ratio up to 6×106 order of magnitude, high mobility of 116 cm2/V-sec, and subthreshold swing of only 0.515 V/dec.

DERMAL AND MOUTHING TRANSFERS OF SURFACE RESIDUES MEASURED USING FLUORESCENCE IMAGING

Science.gov (United States)

To reduce the uncertainty associated with current estimates of children's exposure to pesticides by dermal contact and non-dietary ingestion, residue transfer data are required. Prior to conducting exhaustive studies, a screening study to develop and test methods for measuring...

Criteria for the singularity of a pairwise l1-distance matrix and their generalizations

International Nuclear Information System (INIS)

D'yakonov, Alexander G

2012-01-01

We study the singularity problem for the pairwise distance matrix of a system of points, as well as generalizations of this problem that are connected with applications to interpolation theory and with an algebraic approach to recognition problems. We obtain necessary and sufficient conditions on a system under which the dimension of the range space of polynomials of bounded degree over the columns of the distance matrix is less than the number of points in the system.

Finite Element Residual Stress Analysis of Planetary Gear Tooth

Directory of Open Access Journals (Sweden)

Jungang Wang

2013-01-01

Full Text Available A method to simulate residual stress field of planetary gear is proposed. In this method, the finite element model of planetary gear is established and divided to tooth zone and profile zone, whose different temperature field is set. The gear's residual stress simulation is realized by the thermal compression stress generated by the temperature difference. Based on the simulation, the finite element model of planetary gear train is established, the dynamic meshing process is simulated, and influence of residual stress on equivalent stress of addendum, pitch circle, and dedendum of internal and external meshing planetary gear tooth profile is analyzed, according to non-linear contact theory, thermodynamic theory, and finite element theory. The results show that the equivalent stresses of planetary gear at both meshing and nonmeshing surface are significantly and differently reduced by residual stress. The study benefits fatigue cracking analysis and dynamic optimization design of planetary gear train.

The FOLDALIGN web server for pairwise structural RNA alignment and mutual motif search

DEFF Research Database (Denmark)

Havgaard, Jakob Hull; Lyngsø, Rune B.; Gorodkin, Jan

2005-01-01

FOLDALIGN is a Sankoff-based algorithm for making structural alignments of RNA sequences. Here, we present a web server for making pairwise alignments between two RNA sequences, using the recently updated version of FOLDALIGN. The server can be used to scan two sequences for a common structural RNA...... motif of limited size, or the entire sequences can be aligned locally or globally. The web server offers a graphical interface, which makes it simple to make alignments and manually browse the results. the web server can be accessed at http://foldalign.kvl.dk...

Submicron three-dimensional structures fabricated by reverse contact UV nanoimprint lithography

DEFF Research Database (Denmark)

Kehagias, N.; Reboud, Vincent; Chansin, G.

2006-01-01

The fabrication of a three-dimensional multilayered nanostructure is demonstrated with a newly developed nanofabrication technique, namely, reverse contact ultraviolet nanoimprint lithography. This technique is a combination of reverse nanoimprint lithography and contact ultraviolet lithography....... In this process, a UV cross-linkable polymer and a thermoplastic polymer are spin coated onto a patterned hybrid metal-quartz stamp. These thin polymer films are then transferred from the stamp to the substrate by contact at a suitable temperature and pressure. The whole assembly is then exposed to UV light....... After separation of the stamp and the substrate, the unexposed polymer areas are rinsed away with acetone leaving behind the negative features of the original stamp with no residual layer....

Contact mechanics: contact area and interfacial separation from small contact to full contact

International Nuclear Information System (INIS)

Yang, C; Persson, B N J

2008-01-01

We present a molecular dynamics study of the contact between a rigid solid with a randomly rough surface and an elastic block with a flat surface. The numerical calculations mainly focus on the contact area and the interfacial separation from small contact (low load) to full contact (high load). For a small load the contact area varies linearly with the load and the interfacial separation depends logarithmically on the load. For a high load the contact area approaches the nominal contact area (i.e. complete contact), and the interfacial separation approaches zero. The numerical results have been compared with analytical theory and experimental results. They are in good agreement with each other. The present findings may be very important for soft solids, e.g. rubber, or for very smooth surfaces, where complete contact can be reached at moderately high loads without plastic deformation of the solids

Influence of Surface Properties and Impact Conditions on Adhesion of Insect Residues

Science.gov (United States)

Wohl, Christopher J.; Smith, Joseph G.; Connell, John W.; Siochi, Emilie J.; Doss, Jereme R.; Shanahan, Michelle H.; Penner, Ronald K.

2015-01-01

Insect residues can cause premature transition to turbulent flow on laminar flow airfoils. Engineered surfaces that mitigate the adhesion of insect residues provide, therefore, a route to more efficient aerodynamics and reduced fuel burn rates. Areal coverage and heights of residues depend not only on surface properties, but also on impact conditions. We report high speed photography of fruit fly impacts at different angles of inclination on a rigid aluminum surface, optical microscopy and profilometry, and contact angle goniometry to support the design of engineered surfaces. For the polyurethane and epoxy coatings studied, some of which exhibited superhydrophobicity, it was determined that impact angle and surface compositions play critical roles in the efficacy of these surfaces to reduce insect residue adhesion.

Hastelloy X fuel element creep relaxation and residual effects

International Nuclear Information System (INIS)

Castle, R.A.

1971-01-01

A worst case, seven element, asymmetric fuel, thermal environment was assumed and a creep relaxation analysis generated. The fuel element clad is .020 inch Hastelloy X. The contact load decreased from 11.6 pounds to 5.87 pounds in 100,000 hours. The residual stresses were then computed for various shutdown times. (U.S.)

Effect of pairwise additivity on finite-temperature behavior of classical ideal gas

Science.gov (United States)

Shekaari, Ashkan; Jafari, Mahmoud

2018-05-01

Finite-temperature molecular dynamics simulations have been applied to inquire into the effect of pairwise additivity on the behavior of classical ideal gas within the temperature range of T = 250-4000 K via applying a variety of pair potentials and then examining the temperature dependence of a number of thermodynamical properties. Examining the compressibility factor reveals the most deviation from ideal-gas behavior for the Lennard-Jones system mainly due to the presence of both the attractive and repulsive terms. The systems with either attractive or repulsive intermolecular potentials are found to present no resemblance to real gases, but the most similarity to the ideal one as temperature rises.

Surface analysis of CdTe after various pre-contact treatments

Energy Technology Data Exchange (ETDEWEB)

Waters, D.M. [Univ. of California, Santa Cruz, CA (United States). Dept. of Physics; Niles, D.; Gessert, T.A.; Albin, D.; Rose, D.H.; Sheldon, P. [National Renewable Energy Lab., Golden, CO (United States)

1998-09-01

The authors present surface analysis of close-spaced sublimated (CSS) CdTe after various pre-contact treatments. Methods include Auger electron spectroscopy (AES), x-ray photoelectron spectroscopy (XPS), and grazing-incidence x-ray diffraction (GI-XRD). XPS and GI-XRD analyses of the surface residue left by the solution-based CdCl{sub 2} treatment do not indicate the presence of a significant amount of CdCl{sub 2}. In addition, the solubility properties and relatively high thermal stability of the residue suggest the presence of the oxychloride Cd{sub 3}Cl{sub 2}O{sub 2} rather than CdCl{sub 2} as the major chlorine-containing component. Of the methods tested for their effectiveness in removing the residue, only HNO{sub 3} etches removed all detectable traces of chlorine from the surface.

Atomic pairwise distribution function analysis of the amorphous phase prepared by different manufacturing routes

DEFF Research Database (Denmark)

Boetker, Johan P.; Koradia, Vishal; Rades, Thomas

2012-01-01

was subjected to quench cooling thereby creating an amorphous form of the drug from both starting materials. The milled and quench cooled samples were, together with the crystalline starting materials, analyzed with X-ray powder diffraction (XRPD), Raman spectroscopy and atomic pair-wise distribution function...... (PDF) analysis of the XRPD pattern. When compared to XRPD and Raman spectroscopy, the PDF analysis was superior in displaying the difference between the amorphous samples prepared by milling and quench cooling approaches of the two starting materials....

Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r-1 summation

International Nuclear Information System (INIS)

Wolf, D.; Keblinski, P.; Phillpot, S.R.; Eggebrecht, J.

1999-01-01

Based on a recent result showing that the net Coulomb potential in condensed ionic systems is rather short ranged, an exact and physically transparent method permitting the evaluation of the Coulomb potential by direct summation over the r -1 Coulomb pair potential is presented. The key observation is that the problems encountered in determining the Coulomb energy by pairwise, spherically truncated r -1 summation are a direct consequence of the fact that the system summed over is practically never neutral. A simple method is developed that achieves charge neutralization wherever the r -1 pair potential is truncated. This enables the extraction of the Coulomb energy, forces, and stresses from a spherically truncated, usually charged environment in a manner that is independent of the grouping of the pair terms. The close connection of our approach with the Ewald method is demonstrated and exploited, providing an efficient method for the simulation of even highly disordered ionic systems by direct, pairwise r -1 summation with spherical truncation at rather short range, i.e., a method which fully exploits the short-ranged nature of the interactions in ionic systems. The method is validated by simulations of crystals, liquids, and interfacial systems, such as free surfaces and grain boundaries. copyright 1999 American Institute of Physics

The earthworm gastrointestinal effect on the release of organic bound residues in soils

Science.gov (United States)

Du, J. H.

2018-03-01

Earthworm activities promote the release of bound residues and the digestive activities of earthworms contribute to the process. Earthworm digestive effects on bound residues can be divided into physical and chemical effects. Physical effects include gastrointestinal abrasion and mixing. The abrasion of soil and litter residues in earthworm gizzards and intestine can grind the food into fine particles, which increase the contact surface with microbial and promote the desorption of bound residues. Chemical effects are attributed to the secreted surfactant substances and digestive enzymes. The surfactants, especially at levels that lead to micellization, can enhance the desorption process of the organic contaminants that sored in the soil. The enzymes in earthworm digestive tracts can decompose the humus in soil, which may promote the release of organic residues that bind with humus.

Wounds caused by tight contact with the barrel-cylinder gap of revolvers.

Science.gov (United States)

Rogers, D R

1984-06-01

A case is presented in which the recognition of a tight cylinder gap contact wound was crucial. Experiments were carried out to reproduce the wound which was noted on the hand of a robbery suspect. Tight contact with the cylinder gap of a revolver produces a characteristic, readily recognizable wound. It is characterized by an L-shaped pattern of powder residue. Along one axis a searing burn may occur which may be deep and which may lead to significant tissue destruction.

Multilevel summation methods for efficient evaluation of long-range pairwise interactions in atomistic and coarse-grained molecular simulation.

Energy Technology Data Exchange (ETDEWEB)

Bond, Stephen D.

2014-01-01

The availability of efficient algorithms for long-range pairwise interactions is central to the success of numerous applications, ranging in scale from atomic-level modeling of materials to astrophysics. This report focuses on the implementation and analysis of the multilevel summation method for approximating long-range pairwise interactions. The computational cost of the multilevel summation method is proportional to the number of particles, N, which is an improvement over FFTbased methods whos cost is asymptotically proportional to N logN. In addition to approximating electrostatic forces, the multilevel summation method can be use to efficiently approximate convolutions with long-range kernels. As an application, we apply the multilevel summation method to a discretized integral equation formulation of the regularized generalized Poisson equation. Numerical results are presented using an implementation of the multilevel summation method in the LAMMPS software package. Preliminary results show that the computational cost of the method scales as expected, but there is still a need for further optimization.

Assessment of the Local Residual Stresses of 7050-T7452 Aluminum Alloy in Microzones by the Instrumented Indentation with the Berkovich Indenter

Science.gov (United States)

He, M.; Huang, C. H.; Wang, X. X.; Yang, F.; Zhang, N.; Li, F. G.

2017-10-01

The local residual stresses in microzones are investigated by the instrumented indentation method with the Berkovich indenter. The parameters required for determination of residual stresses are obtained from indentation load-penetration depth curves constructed during instrumented indentation tests on flat square 7050-T7452 aluminum alloy specimens with a central hole containing the compressive residual stresses generated by the cold extrusion process. The force balance system with account of the tensile and compressive residual stresses is used to explain the phenomenon of different contact areas produced by the same indentation load. The effect of strain-hardening exponent on the residual stress is tuned-off by application of the representative stress σ_{0.033} in the average contact pressure assessment using the Π theorem, while the yield stress value is obtained from the constitutive function. Finally, the residual stresses are calculated according to the proposed equations of the force balance system, and their feasibility is corroborated by the XRD measurements.

Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid Functional.

Science.gov (United States)

Agrawal, Piyush; Tkatchenko, Alexandre; Kronik, Leeor

2013-08-13

We propose a nonempirical, pair-wise or many-body dispersion-corrected, optimally tuned range-separated hybrid functional. This functional retains the advantages of the optimal-tuning approach in the prediction of the electronic structure. At the same time, it gains accuracy in the prediction of binding energies for dispersively bound systems, as demonstrated on the S22 and S66 benchmark sets of weakly bound dimers.

Process and catalysis for hydrocracking of heavy oil and residues

Energy Technology Data Exchange (ETDEWEB)

Morel, F.; Kressmann, S. [Centre d' Etudes et de developpement Indutriel ' Rene Navarre' , Vernaison (France); Harle, V.; Kasztelan, S. [Division Cinetique et Catalyse, Rueil-Malmaison (France)

1997-07-01

Atmospheric or vacuum residue can be converted into valuable distillates using reaction temperature, high hydrogen pressure and low contact time hydroprocessing units. Various residue hydrocracking processes are now commercially employed using fixed bed, moving bed or ebullated bed reactors. The choice of process type depends mainly on the amount of metals and asphaltenes in the feed and on the level of conversion required. Various improvements have been introduced in the last decade to increase run length, conversion level, products qualities and stability of the residual fuel. These improvements include on stream catalysts replacement systems, swing reactors, improved feed distribution, guard bed materials limiting pressure drop, coke resistant catalysts, complex association of catalysts using particle size, activity and pore size grading. Further improvement of the resistance of catalysts to deactivation by coke and metal deposits and of the hydrodenitrogenation activity are two major challenges for the development of new residue hydrocracking catalysts and processes. 29 refs.

76 FR 55329 - Receipt of Several Pesticide Petitions Filed for Residues of Pesticide Chemicals in or on Various...

Science.gov (United States)

2011-09-07

... quantified after HPLC separation by tandem mass spectrometry (MS/MS) detection. Contact: Sidney Jackson, (703... ultraviolet (UV) detection or confirmatory LC/MS. Contact: Rose Mary Kearns, (703) 305- 5611, e-mail address... from the requirement of a tolerance for residues of the antimicrobial dimethyl didecyl ammonium...

Quantification of Drive-Response Relationships Between Residues During Protein Folding.

Science.gov (United States)

Qi, Yifei; Im, Wonpil

2013-08-13

Mutual correlation and cooperativity are commonly used to describe residue-residue interactions in protein folding/function. However, these metrics do not provide any information on the causality relationships between residues. Such drive-response relationships are poorly studied in protein folding/function and difficult to measure experimentally due to technical limitations. In this study, using the information theory transfer entropy (TE) that provides a direct measurement of causality between two times series, we have quantified the drive-response relationships between residues in the folding/unfolding processes of four small proteins generated by molecular dynamics simulations. Instead of using a time-averaged single TE value, the time-dependent TE is measured with the Q-scores based on residue-residue contacts and with the statistical significance analysis along the folding/unfolding processes. The TE analysis is able to identify the driving and responding residues that are different from the highly correlated residues revealed by the mutual information analysis. In general, the driving residues have more regular secondary structures, are more buried, and show greater effects on the protein stability as well as folding and unfolding rates. In addition, the dominant driving and responding residues from the TE analysis on the whole trajectory agree with those on a single folding event, demonstrating that the drive-response relationships are preserved in the non-equilibrium process. Our study provides detailed insights into the protein folding process and has potential applications in protein engineering and interpretation of time-dependent residue-based experimental observables for protein function.

Computing the Skewness of the Phylogenetic Mean Pairwise Distance in Linear Time

DEFF Research Database (Denmark)

Tsirogiannis, Constantinos; Sandel, Brody Steven

2014-01-01

The phylogenetic Mean Pairwise Distance (MPD) is one of the most popular measures for computing the phylogenetic distance between a given group of species. More specifically, for a phylogenetic tree and for a set of species R represented by a subset of the leaf nodes of , the MPD of R is equal...... to the average cost of all possible simple paths in that connect pairs of nodes in R. Among other phylogenetic measures, the MPD is used as a tool for deciding if the species of a given group R are closely related. To do this, it is important to compute not only the value of the MPD for this group but also...

Classification of forest-based ecotourism areas in Pocahontas County of West Virginia using GIS and pairwise comparison method

Science.gov (United States)

Ishwar Dhami; Jinyang. Deng

2012-01-01

Many previous studies have examined ecotourism primarily from the perspective of tourists while largely ignoring ecotourism destinations. This study used geographical information system (GIS) and pairwise comparison to identify forest-based ecotourism areas in Pocahontas County, West Virginia. The study adopted the criteria and scores developed by Boyd and Butler (1994...

Reverse-contact UV nanoimprint lithography for multilayered structure fabrication

International Nuclear Information System (INIS)

Kehagias, N; Reboud, V; Chansin, G; Zelsmann, M; Jeppesen, C; Schuster, C; Kubenz, M; Reuther, F; Gruetzner, G; Torres, C M Sotomayor

2007-01-01

In this paper, we report results on a newly developed nanofabrication technique, namely reverse-contact UV nanoimprint lithography. This technique is a combination of nanoimprint lithography and contact printing lithography. In this process, a lift-off resist and a UV cross-linkable polymer are spin-coated successively onto a patterned UV mask-mould. These thin polymer films are then transferred from the mould to the substrate by contact at a suitable temperature and pressure. The whole assembly is then exposed to UV light. After separation of the mould and the substrate, the unexposed polymer areas are dissolved in a developer solution leaving behind the negative features of the original stamp. This method delivers resist pattern transfer without a residual layer, thereby rending unnecessary the etching steps typically needed in the imprint lithography techniques for three-dimensional patterning. Three-dimensional woodpile-like structures were successfully fabricated with this new technique

PTM Along Track Algorithm to Maintain Spacing During Same Direction Pair-Wise Trajectory Management Operations

Science.gov (United States)

Carreno, Victor A.

2015-01-01

Pair-wise Trajectory Management (PTM) is a cockpit based delegated responsibility separation standard. When an air traffic service provider gives a PTM clearance to an aircraft and the flight crew accepts the clearance, the flight crew will maintain spacing and separation from a designated aircraft. A PTM along track algorithm will receive state information from the designated aircraft and from the own ship to produce speed guidance for the flight crew to maintain spacing and separation

Criteria for the singularity of a pairwise l{sub 1}-distance matrix and their generalizations

Energy Technology Data Exchange (ETDEWEB)

D' yakonov, Alexander G [M. V. Lomonosov Moscow State University, Faculty of Computational Mathematics and Cybernetics, Moscow (Russian Federation)

2012-06-30

We study the singularity problem for the pairwise distance matrix of a system of points, as well as generalizations of this problem that are connected with applications to interpolation theory and with an algebraic approach to recognition problems. We obtain necessary and sufficient conditions on a system under which the dimension of the range space of polynomials of bounded degree over the columns of the distance matrix is less than the number of points in the system.

Chemical activation of gasification carbon residue for phosphate removal

Science.gov (United States)

Kilpimaa, Sari; Runtti, Hanna; Lassi, Ulla; Kuokkanen, Toivo

2012-05-01

Recycling of waste materials provides an economical and environmentally significant method to reduce the amount of waste. Bioash formed in the gasification process possesses a notable amount of unburned carbon and therefore it can be called a carbon residue. After chemical activation carbon residue could be use to replace activated carbon for example in wastewater purification processes. The effect of chemical activation process variables such as chemical agents and contact time in the chemical activation process were investigated. This study also explored the effectiveness of the chemically activated carbon residue for the removal of phosphate from an aqueous solution. The experimental adsorption study was performed in a batch reactor and the influence of adsorption time, initial phosphate concentration and pH was studied. Due to the carbon residue's low cost and high adsorption capacity, this type of waste has the potential to be utilised for the cost-effective removal of phosphate from wastewaters. Potential adsorbents could be prepared from these carbonaceous by-products and used as an adsorbent for phosphate removal.

A hierarchical structure through imprinting of a polyimide precursor without residual layers

International Nuclear Information System (INIS)

Pai, I-Ting; Hon, Min-Hsiung; Leu, Ing-Chi

2008-01-01

A patterned polyimide without a residual layer is obtained by imprinting with the assistance of a residual solvent. The effects of the wetting behaviors of the poly-amic acid (PAA) solution coated on various surfaces are examined and the formation of hierarchical patterns without residual layers is demonstrated. polydimethylsiloxane (PDMS) and PEI/PDMS are used as imprinting molds with Si and 300 nm SiO 2 /Si as substrates. The results indicate that the various ambits of patterns without a residual layer are formed due to the dewetting phenomena caused by surface tension (Suh 2006 Small 2 832). During imprinting, PDMS with a low surface energy makes the PAA solution flow away from its surface exposing the contact area due to dewetting. Self-organized hierarchical structures are also obtained from this process due to effective dewetting. The present study provides a new approach for fabricating patterns without residual layers and the consequent preparation of hierarchical structures, which is considered to be impossible using the lithographic technique

Identifying the Academic Rising Stars via Pairwise Citation Increment Ranking

KAUST Repository

Zhang, Chuxu

2017-08-02

Predicting the fast-rising young researchers (the Academic Rising Stars) in the future provides useful guidance to the research community, e.g., offering competitive candidates to university for young faculty hiring as they are expected to have success academic careers. In this work, given a set of young researchers who have published the first first-author paper recently, we solve the problem of how to effectively predict the top k% researchers who achieve the highest citation increment in Δt years. We explore a series of factors that can drive an author to be fast-rising and design a novel pairwise citation increment ranking (PCIR) method that leverages those factors to predict the academic rising stars. Experimental results on the large ArnetMiner dataset with over 1.7 million authors demonstrate the effectiveness of PCIR. Specifically, it outperforms all given benchmark methods, with over 8% average improvement. Further analysis demonstrates that temporal features are the best indicators for rising stars prediction, while venue features are less relevant.

DNCON2: improved protein contact prediction using two-level deep convolutional neural networks.

Science.gov (United States)

Adhikari, Badri; Hou, Jie; Cheng, Jianlin

2018-05-01

Significant improvements in the prediction of protein residue-residue contacts are observed in the recent years. These contacts, predicted using a variety of coevolution-based and machine learning methods, are the key contributors to the recent progress in ab initio protein structure prediction, as demonstrated in the recent CASP experiments. Continuing the development of new methods to reliably predict contact maps is essential to further improve ab initio structure prediction. In this paper we discuss DNCON2, an improved protein contact map predictor based on two-level deep convolutional neural networks. It consists of six convolutional neural networks-the first five predict contacts at 6, 7.5, 8, 8.5 and 10 Å distance thresholds, and the last one uses these five predictions as additional features to predict final contact maps. On the free-modeling datasets in CASP10, 11 and 12 experiments, DNCON2 achieves mean precisions of 35, 50 and 53.4%, respectively, higher than 30.6% by MetaPSICOV on CASP10 dataset, 34% by MetaPSICOV on CASP11 dataset and 46.3% by Raptor-X on CASP12 dataset, when top L/5 long-range contacts are evaluated. We attribute the improved performance of DNCON2 to the inclusion of short- and medium-range contacts into training, two-level approach to prediction, use of the state-of-the-art optimization and activation functions, and a novel deep learning architecture that allows each filter in a convolutional layer to access all the input features of a protein of arbitrary length. The web server of DNCON2 is at http://sysbio.rnet.missouri.edu/dncon2/ where training and testing datasets as well as the predictions for CASP10, 11 and 12 free-modeling datasets can also be downloaded. Its source code is available at https://github.com/multicom-toolbox/DNCON2/. chengji@missouri.edu. Supplementary data are available at Bioinformatics online.

Contact dermatitis to cobalt chloride with an unusual mechanism.

Science.gov (United States)

Arslan, Sevket; Aksan, Serkan; Ucar, Ramazan; Caliskaner, Ahmet Zafer

2015-10-01

Contact dermatitis is a frequent inflammatory skin disease. A suspected diagnosis is based on clinical symptoms, a plausible contact to allergens and a suitable history of dermatitis. Therefore, careful diagnosis by patch testing is of great importance because the patch testing is important to find out which allergen/material causes the complaints. Metallic allergens such as cobalt are among the most common causes of allergic contact dermatitis, but frequencies of contact dermatitis to these allergens may vary in different skin areas. Here, we report an unusual case of cobalt allergy on the skin contact with the prosthetic leg of a 30-year-old female patient. The patient developed maculopapular and vesicular lesions on her contact region of residual limb to prosthetic leg. She underwent standard patch testing, which resulted in a strong positive reaction to cobalt chloride. This case report may serve to remind doctors to be aware of potential allergic reactions to prostheses and to enable them to recognize a metal allergy if it appears. Prosthetists should also be reminded of potential allergic reactions. Cobalt can be used as an accelerator in making a prosthetic socket. Several cases have been reported concerning allergies to components of the prosthetic socket. This is the first report of sensitization to cobalt which is used in making a prosthetic leg. © The International Society for Prosthetics and Orthotics 2014.

An analytical method for computing atomic contact areas in biomolecules.

Science.gov (United States)

Mach, Paul; Koehl, Patrice

2013-01-15

We propose a new analytical method for detecting and computing contacts between atoms in biomolecules. It is based on the alpha shape theory and proceeds in three steps. First, we compute the weighted Delaunay triangulation of the union of spheres representing the molecule. In the second step, the Delaunay complex is filtered to derive the dual complex. Finally, contacts between spheres are collected. In this approach, two atoms i and j are defined to be in contact if their centers are connected by an edge in the dual complex. The contact areas between atom i and its neighbors are computed based on the caps formed by these neighbors on the surface of i; the total area of all these caps is partitioned according to their spherical Laguerre Voronoi diagram on the surface of i. This method is analytical and its implementation in a new program BallContact is fast and robust. We have used BallContact to study contacts in a database of 1551 high resolution protein structures. We show that with this new definition of atomic contacts, we generate realistic representations of the environments of atoms and residues within a protein. In particular, we establish the importance of nonpolar contact areas that complement the information represented by the accessible surface areas. This new method bears similarity to the tessellation methods used to quantify atomic volumes and contacts, with the advantage that it does not require the presence of explicit solvent molecules if the surface of the protein is to be considered. © 2012 Wiley Periodicals, Inc. Copyright © 2012 Wiley Periodicals, Inc.

Market Competitiveness Evaluation of Mechanical Equipment with a Pairwise Comparisons Hierarchical Model.

Science.gov (United States)

Hou, Fujun

2016-01-01

This paper provides a description of how market competitiveness evaluations concerning mechanical equipment can be made in the context of multi-criteria decision environments. It is assumed that, when we are evaluating the market competitiveness, there are limited number of candidates with some required qualifications, and the alternatives will be pairwise compared on a ratio scale. The qualifications are depicted as criteria in hierarchical structure. A hierarchical decision model called PCbHDM was used in this study based on an analysis of its desirable traits. Illustration and comparison shows that the PCbHDM provides a convenient and effective tool for evaluating the market competitiveness of mechanical equipment. The researchers and practitioners might use findings of this paper in application of PCbHDM.

Pesticide residues and bees--a risk assessment.

Directory of Open Access Journals (Sweden)

Francisco Sanchez-Bayo

Full Text Available Bees are essential pollinators of many plants in natural ecosystems and agricultural crops alike. In recent years the decline and disappearance of bee species in the wild and the collapse of honey bee colonies have concerned ecologists and apiculturalists, who search for causes and solutions to this problem. Whilst biological factors such as viral diseases, mite and parasite infections are undoubtedly involved, it is also evident that pesticides applied to agricultural crops have a negative impact on bees. Most risk assessments have focused on direct acute exposure of bees to agrochemicals from spray drift. However, the large number of pesticide residues found in pollen and honey demand a thorough evaluation of all residual compounds so as to identify those of highest risk to bees. Using data from recent residue surveys and toxicity of pesticides to honey and bumble bees, a comprehensive evaluation of risks under current exposure conditions is presented here. Standard risk assessments are complemented with new approaches that take into account time-cumulative effects over time, especially with dietary exposures. Whilst overall risks appear to be low, our analysis indicates that residues of pyrethroid and neonicotinoid insecticides pose the highest risk by contact exposure of bees with contaminated pollen. However, the synergism of ergosterol inhibiting fungicides with those two classes of insecticides results in much higher risks in spite of the low prevalence of their combined residues. Risks by ingestion of contaminated pollen and honey are of some concern for systemic insecticides, particularly imidacloprid and thiamethoxam, chlorpyrifos and the mixtures of cyhalothrin and ergosterol inhibiting fungicides. More attention should be paid to specific residue mixtures that may result in synergistic toxicity to bees.

Bispectral pairwise interacting source analysis for identifying systems of cross-frequency interacting brain sources from electroencephalographic or magnetoencephalographic signals

Science.gov (United States)

Chella, Federico; Pizzella, Vittorio; Zappasodi, Filippo; Nolte, Guido; Marzetti, Laura

2016-05-01

Brain cognitive functions arise through the coordinated activity of several brain regions, which actually form complex dynamical systems operating at multiple frequencies. These systems often consist of interacting subsystems, whose characterization is of importance for a complete understanding of the brain interaction processes. To address this issue, we present a technique, namely the bispectral pairwise interacting source analysis (biPISA), for analyzing systems of cross-frequency interacting brain sources when multichannel electroencephalographic (EEG) or magnetoencephalographic (MEG) data are available. Specifically, the biPISA makes it possible to identify one or many subsystems of cross-frequency interacting sources by decomposing the antisymmetric components of the cross-bispectra between EEG or MEG signals, based on the assumption that interactions are pairwise. Thanks to the properties of the antisymmetric components of the cross-bispectra, biPISA is also robust to spurious interactions arising from mixing artifacts, i.e., volume conduction or field spread, which always affect EEG or MEG functional connectivity estimates. This method is an extension of the pairwise interacting source analysis (PISA), which was originally introduced for investigating interactions at the same frequency, to the study of cross-frequency interactions. The effectiveness of this approach is demonstrated in simulations for up to three interacting source pairs and for real MEG recordings of spontaneous brain activity. Simulations show that the performances of biPISA in estimating the phase difference between the interacting sources are affected by the increasing level of noise rather than by the number of the interacting subsystems. The analysis of real MEG data reveals an interaction between two pairs of sources of central mu and beta rhythms, localizing in the proximity of the left and right central sulci.

On the electrical contact and long-term behavior of compression-type connections with conventional and high-temperature conductor ropes with low sag

International Nuclear Information System (INIS)

Hildmann, Christian

2016-01-01

of hexagonal compression connections with stranded overhead transmission line conductors was calculated with the finite element method. The compression forces and the residual contact forces were determined for all contacts between barrel and conductor as well as between the wires of the conductor. It was shown, that high compression and residual contact forces are the main cause of good electrical contact behaviour. The physical relations are discussed. The electrical long-term behaviour was furthermore investigated in experiments. The results confirm the influence of the residual contact force on the long-term behaviour qualitatively. Those compression connections, which had only small residual contact forces, were less stable in the long-term tests.

Effect of washing on pesticide residues in olives.

Science.gov (United States)

Guardia-Rubio, M; Ayora-Cañada, M J; Ruiz-Medina, A

2007-03-01

The present work aims at contributing to the knowledge of the fate of 5 pesticides in olives in order to evaluate how washing may affect the presence of these residues in this fruit (and consequently in olive oil). For this purpose, olives were sprayed with commercial formulations containing the active ingredients and a series of analyses were performed for 64 d by using gas chromatography with mass spectrometric detection. Selected pesticides, ranked by their importance, were diuron, terbuthylazine, simazine, alpha-endosulfan, and beta-endosulfan. The pesticide fraction, which was not removable from olives by washing, increased with time after treatment until their degradation started at week 6. Washing performed 1 d after treatment was the most effective in reducing residues, especially for simazine. Consequently, the washing step performed in olive mills could be effective in removing those herbicide residues present in olives as a consequence of contact with contaminated soil for a short time. This happens when olives are dropped and harvested off the ground by means of brushes or suction equipment.

Process to recycle shredder residue

Science.gov (United States)

Jody, Bassam J.; Daniels, Edward J.; Bonsignore, Patrick V.

2001-01-01

A system and process for recycling shredder residue, in which separating any polyurethane foam materials are first separated. Then separate a fines fraction of less than about 1/4 inch leaving a plastics-rich fraction. Thereafter, the plastics rich fraction is sequentially contacted with a series of solvents beginning with one or more of hexane or an alcohol to remove automotive fluids; acetone to remove ABS; one or more of EDC, THF or a ketone having a boiling point of not greater than about 125.degree. C. to remove PVC; and one or more of xylene or toluene to remove polypropylene and polyethylene. The solvents are recovered and recycled.

Integrating water exclusion theory into βcontacts to predict binding free energy changes and binding hot spots

Science.gov (United States)

2014-01-01

Background Binding free energy and binding hot spots at protein-protein interfaces are two important research areas for understanding protein interactions. Computational methods have been developed previously for accurate prediction of binding free energy change upon mutation for interfacial residues. However, a large number of interrupted and unimportant atomic contacts are used in the training phase which caused accuracy loss. Results This work proposes a new method, βACV ASA , to predict the change of binding free energy after alanine mutations. βACV ASA integrates accessible surface area (ASA) and our newly defined β contacts together into an atomic contact vector (ACV). A β contact between two atoms is a direct contact without being interrupted by any other atom between them. A β contact’s potential contribution to protein binding is also supposed to be inversely proportional to its ASA to follow the water exclusion hypothesis of binding hot spots. Tested on a dataset of 396 alanine mutations, our method is found to be superior in classification performance to many other methods, including Robetta, FoldX, HotPOINT, an ACV method of β contacts without ASA integration, and ACV ASA methods (similar to βACV ASA but based on distance-cutoff contacts). Based on our data analysis and results, we can draw conclusions that: (i) our method is powerful in the prediction of binding free energy change after alanine mutation; (ii) β contacts are better than distance-cutoff contacts for modeling the well-organized protein-binding interfaces; (iii) β contacts usually are only a small fraction number of the distance-based contacts; and (iv) water exclusion is a necessary condition for a residue to become a binding hot spot. Conclusions βACV ASA is designed using the advantages of both β contacts and water exclusion. It is an excellent tool to predict binding free energy changes and binding hot spots after alanine mutation. PMID:24568581

An efficient genetic algorithm for structural RNA pairwise alignment and its application to non-coding RNA discovery in yeast

Directory of Open Access Journals (Sweden)

Taneda Akito

2008-12-01

Full Text Available Abstract Background Aligning RNA sequences with low sequence identity has been a challenging problem since such a computation essentially needs an algorithm with high complexities for taking structural conservation into account. Although many sophisticated algorithms for the purpose have been proposed to date, further improvement in efficiency is necessary to accelerate its large-scale applications including non-coding RNA (ncRNA discovery. Results We developed a new genetic algorithm, Cofolga2, for simultaneously computing pairwise RNA sequence alignment and consensus folding, and benchmarked it using BRAliBase 2.1. The benchmark results showed that our new algorithm is accurate and efficient in both time and memory usage. Then, combining with the originally trained SVM, we applied the new algorithm to novel ncRNA discovery where we compared S. cerevisiae genome with six related genomes in a pairwise manner. By focusing our search to the relatively short regions (50 bp to 2,000 bp sandwiched by conserved sequences, we successfully predict 714 intergenic and 1,311 sense or antisense ncRNA candidates, which were found in the pairwise alignments with stable consensus secondary structure and low sequence identity (≤ 50%. By comparing with the previous predictions, we found that > 92% of the candidates is novel candidates. The estimated rate of false positives in the predicted candidates is 51%. Twenty-five percent of the intergenic candidates has supports for expression in cell, i.e. their genomic positions overlap those of the experimentally determined transcripts in literature. By manual inspection of the results, moreover, we obtained four multiple alignments with low sequence identity which reveal consensus structures shared by three species/sequences. Conclusion The present method gives an efficient tool complementary to sequence-alignment-based ncRNA finders.

The interfacial character of antibody paratopes: analysis of antibody-antigen structures.

Science.gov (United States)

Nguyen, Minh N; Pradhan, Mohan R; Verma, Chandra; Zhong, Pingyu

2017-10-01

In this study, computational methods are applied to investigate the general properties of antigen engaging residues of a paratope from a non-redundant dataset of 403 antibody-antigen complexes to dissect the contribution of hydrogen bonds, hydrophobic, van der Waals contacts and ionic interactions, as well as role of water molecules in the antigen-antibody interface. Consistent with previous reports using smaller datasets, we found that Tyr, Trp, Ser, Asn, Asp, Thr, Arg, Gly, His contribute substantially to the interactions between antibody and antigen. Furthermore, antibody-antigen interactions can be mediated by interfacial waters. However, there is no reported comprehensive analysis for a large number of structured waters that engage in higher ordered structures at the antibody-antigen interface. From our dataset, we have found the presence of interfacial waters in 242 complexes. We present evidence that suggests a compelling role of these interfacial waters in interactions of antibodies with a range of antigens differing in shape complementarity. Finally, we carry out 296 835 pairwise 3D structure comparisons of 771 structures of contact residues of antibodies with their interfacial water molecules from our dataset using CLICK method. A heuristic clustering algorithm is used to obtain unique structural similarities, and found to separate into 368 different clusters. These clusters are used to identify structural motifs of contact residues of antibodies for epitope binding. This clustering database of contact residues is freely accessible at http://mspc.bii.a-star.edu.sg/minhn/pclick.html. minhn@bii.a-star.edu.sg, chandra@bii.a-star.edu.sg or zhong_pingyu@immunol.a-star.edu.sg. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

Template-based protein-protein docking exploiting pairwise interfacial residue restraints

NARCIS (Netherlands)

Xue, Li C; Garcia Lopes Maia Rodrigues, João; Dobbs, Drena; Honavar, Vasant; Bonvin, Alexandre M J J

2016-01-01

Although many advanced and sophisticatedab initioapproaches for modeling protein-protein complexes have been proposed in past decades, template-based modeling (TBM) remains the most accurate and widely used approach, given a reliable template is available. However, there are many different ways to

Residual nilpotence and residual solubility of groups

International Nuclear Information System (INIS)

Mikhailov, R V

2005-01-01

The properties of the residual nilpotence and the residual solubility of groups are studied. The main objects under investigation are the class of residually nilpotent groups such that each central extension of these groups is also residually nilpotent and the class of residually soluble groups such that each Abelian extension of these groups is residually soluble. Various examples of groups not belonging to these classes are constructed by homological methods and methods of the theory of modules over group rings. Several applications of the theory under consideration are presented and problems concerning the residual nilpotence of one-relator groups are considered.

Enhanced biogas production from penicillin bacterial residue by thermal-alkaline pretreatment

International Nuclear Information System (INIS)

Zhong, Weizhang; Li, Guixia; Gao, Yan; Li, Zaixing; Geng, Xiaoling; Li, Yubing; Yang, Jingliang; Zhou, Chonghui

2015-01-01

In this study, the orthogonal experimental design was used to determine the optimum conditions for the effect of thermal alkaline; pretreatment on the anaerobic digestion of penicillin bacterial residue. The biodegradability of the penicillin; bacterial residue was evaluated by biochemical methane potential tests in laboratory. The optimum values of temperature,; alkali concentration, pretreatment time and moisture content for the thermal-alkaline pretreatment were determined as; 70 °C, 6% (w/v), 30 min, and 85%, respectively. Thermal-alkaline pretreatment could significantly enhance the soluble; chemical oxygen demand solubilization, the suspended solid solubilization and the biodegradability. Biogas production; was enhanced by the thermal-alkaline pretreatment, probably as a result of the breakdown of cell walls and membranes of; micro-organisms, which may facilitate the contact between organic molecules and anaerobic microorganisms.; Keywords: penicillin bacterial residue; anaerobic digestion; biochemical methane potential tests; pretreatment

Residual stress improving method for reactor structural component and residual stress improving device therefor

Energy Technology Data Exchange (ETDEWEB)

Enomoto, Kunio; Otaka, Masahiro; Kurosawa, Koichi; Saito, Hideyo; Tsujimura, Hiroshi; Tamai, Yasukata; Urashiro, Keiichi; Mochizuki, Masato

1996-09-03

The present invention is applied to a BWR type reactor, in which a high speed jetting flow incorporating cavities is collided against the surface of reactor structural components to form residual compression stresses on the surface layer of the reactor structural components thereby improving the stresses on the surface. Namely, a water jetting means is inserted into the reactor container filled with reactor water. Purified water is pressurized by a pump and introduced to the water jetting means. The purified water jetted from the water jetting means and entraining cavities is abutted against the surface of the reactor structural components. With such procedures, since the purified water is introduced to the water jetting means by the pump, the pump is free from contamination of radioactive materials. As a result, maintenance and inspection for the pump can be facilitated. Further, since the purified water injection flow entraining cavities is abutted against the surface of the reactor structural components being in contact with reactor water, residual compression stresses are exerted on the surface of the reactor structural components. As a result, occurrence of stress corrosion crackings of reactor structural components is suppressed. (I.S.)

Residual stress improving method for reactor structural component and residual stress improving device therefor

International Nuclear Information System (INIS)

Enomoto, Kunio; Otaka, Masahiro; Kurosawa, Koichi; Saito, Hideyo; Tsujimura, Hiroshi; Tamai, Yasukata; Urashiro, Keiichi; Mochizuki, Masato.

1996-01-01

The present invention is applied to a BWR type reactor, in which a high speed jetting flow incorporating cavities is collided against the surface of reactor structural components to form residual compression stresses on the surface layer of the reactor structural components thereby improving the stresses on the surface. Namely, a water jetting means is inserted into the reactor container filled with reactor water. Purified water is pressurized by a pump and introduced to the water jetting means. The purified water jetted from the water jetting means and entraining cavities is abutted against the surface of the reactor structural components. With such procedures, since the purified water is introduced to the water jetting means by the pump, the pump is free from contamination of radioactive materials. As a result, maintenance and inspection for the pump can be facilitated. Further, since the purified water injection flow entraining cavities is abutted against the surface of the reactor structural components being in contact with reactor water, residual compression stresses are exerted on the surface of the reactor structural components. As a result, occurrence of stress corrosion crackings of reactor structural components is suppressed. (I.S.)

Characterisation of silica surfaces III: Characterisation of aerosil samples through ethanol adsorption and contact angle studies

Directory of Open Access Journals (Sweden)

M.S. Nadiye–Tabbiruka

2009-12-01

Full Text Available Aerosil samples, heat treated and then silylated with various silanes at various temperatures have been characterised by adsorption of ethanol at 293 K. Adsorption isotherms were plotted and the BET specific surface areas were determined. Contact angles were measured by the captive bubble method at the three phase contact line in ethanol, on glass slides similarly modified. Silylation was found to alter the ethanol adsorptive properties on aerosil and increase the contact angles on the glass slides to extents that depend on the silane used as well as the concentration of residual silanols and that of surface silyl groups.

Contact toxicities of anuran skin alkaloids against the fire ant ( Solenopsis invicta)

Science.gov (United States)

Weldon, Paul J.; Cardoza, Yasmin J.; Vander Meer, Robert K.; Hoffmann, W. Clint; Daly, John W.; Spande, Thomas F.

2013-02-01

Nearly 500 alkaloids, representing over 20 structural classes, have been identified from the skin of neotropical poison frogs (Dendrobatidae). These cutaneous compounds, which are derived from arthropod prey of the frogs, generally are believed to deter predators. We tested the red imported fire ant ( Solenopsis invicta) for toxicosis following contact with 20 alkaloids (12 structural classes) identified from dendrobatids or other anurans. Individual ants forced to contact the dried residues of 13 compounds exhibited convulsions and/or reduced ambulation. We estimated the cutaneous concentrations of several compounds based on their reported recoveries from skin extracts of free-ranging frogs and our measurements of the skin surface areas of museum specimens. Pumiliotoxin 251D exhibited contact toxicity below its estimated cutaneous concentration in the Ecuadorian frog, Epipedobates anthonyi, an observation consistent with the hypothesized role of this compound in anuran chemical defense. Our results and those of a previous study of mosquitoes indicate that some anuran skin compounds function defensively as contact toxins against arthropods, permeating their exoskeleton.

Contact Hwersensitaity to Mustard Khal and Mustard Oil

OpenAIRE

J S Pasricha; Ramji Gupta; S K Gupta

1985-01-01

This report describes 2 females patients having contact dermatitis due to mustard khal the residue of,mustard seeds after the oil hasbeen extracted out. The dermatitis was caused by mbdng mustard khal with the cattle feed and was occurring on the hands and forearms, though the face, ear lobules and neck were also mvolved because of the practice of applying mustard oil on the hair. Patch tests were positive with the mustard khal and its fractionation products in both the patients and with must...

Analysis of pairwise correlations in multi-parametric PET/MR data for biological tumor characterization and treatment individualization strategies

Energy Technology Data Exchange (ETDEWEB)

Leibfarth, Sara; Moennich, David; Thorwarth, Daniela [University Hospital Tuebingen, Section for Biomedical Physics, Department of Radiation Oncology, Tuebingen (Germany); Simoncic, Urban [University Hospital Tuebingen, Section for Biomedical Physics, Department of Radiation Oncology, Tuebingen (Germany); University of Ljubljana, Faculty of Mathematics and Physics, Ljubljana (Slovenia); Jozef Stefan Institute, Ljubljana (Slovenia); Welz, Stefan; Zips, Daniel [University Hospital Tuebingen, Department of Radiation Oncology, Tuebingen (Germany); Schmidt, Holger; Schwenzer, Nina [University Hospital Tuebingen, Department of Diagnostic and Interventional Radiology, Tuebingen (Germany)

2016-07-15

The aim of this pilot study was to explore simultaneous functional PET/MR for biological characterization of tumors and potential future treatment adaptations. To investigate the extent of complementarity between different PET/MR-based functional datasets, a pairwise correlation analysis was performed. Functional datasets of N=15 head and neck (HN) cancer patients were evaluated. For patients of group A (N=7), combined PET/MR datasets including FDG-PET and ADC maps were available. Patients of group B (N=8) had FMISO-PET, DCE-MRI and ADC maps from combined PET/MRI, an additional dynamic FMISO-PET/CT acquired directly after FMISO tracer injection as well as an FDG-PET/CT acquired a few days earlier. From DCE-MR, parameter maps K{sup trans}, v{sub e} and v{sub p} were obtained with the extended Tofts model. Moreover, parameter maps of mean DCE enhancement, ΔS{sub DCE}, and mean FMISO signal 0-4 min p.i., anti A{sub FMISO}, were derived. Pairwise correlations were quantified using the Spearman correlation coefficient (r) on both a voxel and a regional level within the gross tumor volume. Between some pairs of functional imaging modalities moderate correlations were observed with respect to the median over all patient datasets, whereas distinct correlations were only present on an individual basis. Highest inter-modality median correlations on the voxel level were obtained for FDG/FMISO (r = 0.56), FDG/ anti A{sub FMISO} (r = 0.55), anti A{sub FMISO}/ΔS{sub DCE} (r = 0.46), and FDG/ADC (r = -0.39). Correlations on the regional level showed comparable results. The results of this study suggest that the examined functional datasets provide complementary information. However, only pairwise correlations were examined, and correlations could still exist between combinations of three or more datasets. These results might contribute to the future design of individually adapted treatment approaches based on multiparametric functional imaging.

Pesticide Residues and Bees – A Risk Assessment

Science.gov (United States)

Sanchez-Bayo, Francisco; Goka, Koichi

2014-01-01

Bees are essential pollinators of many plants in natural ecosystems and agricultural crops alike. In recent years the decline and disappearance of bee species in the wild and the collapse of honey bee colonies have concerned ecologists and apiculturalists, who search for causes and solutions to this problem. Whilst biological factors such as viral diseases, mite and parasite infections are undoubtedly involved, it is also evident that pesticides applied to agricultural crops have a negative impact on bees. Most risk assessments have focused on direct acute exposure of bees to agrochemicals from spray drift. However, the large number of pesticide residues found in pollen and honey demand a thorough evaluation of all residual compounds so as to identify those of highest risk to bees. Using data from recent residue surveys and toxicity of pesticides to honey and bumble bees, a comprehensive evaluation of risks under current exposure conditions is presented here. Standard risk assessments are complemented with new approaches that take into account time-cumulative effects over time, especially with dietary exposures. Whilst overall risks appear to be low, our analysis indicates that residues of pyrethroid and neonicotinoid insecticides pose the highest risk by contact exposure of bees with contaminated pollen. However, the synergism of ergosterol inhibiting fungicides with those two classes of insecticides results in much higher risks in spite of the low prevalence of their combined residues. Risks by ingestion of contaminated pollen and honey are of some concern for systemic insecticides, particularly imidacloprid and thiamethoxam, chlorpyrifos and the mixtures of cyhalothrin and ergosterol inhibiting fungicides. More attention should be paid to specific residue mixtures that may result in synergistic toxicity to bees. PMID:24718419

Hazardous properties of paint residues from the furniture industry.

Science.gov (United States)

Vaajasaari, Kati; Kulovaara, Maaret; Joutti, Anneli; Schultz, Eija; Soljamo, Kari

2004-01-30

The objective of this study was to screen nine excess paint residues for environmental hazard and to evaluate their disposability in a non-hazardous or hazardous-waste landfill. These residues were produced in the process of spray-painting furniture. Residues were classified according to their leaching and ecotoxicological properties. Leaching properties were determined with the European standard SFS-EN 12457-2 leaching-test. The toxicity of the leaching-test eluates was measured with plant-, bacteria- and enzyme-inhibition bioassays. Total organic carbon, formaldehyde and solvent concentrations in the solid wastes and in the leaching-test eluates were analysed. It seemed likely that leached formaldehyde caused very high acute toxicity in leaching-test eluates of the dry-booth residues. This hypothesis was based on the fact that the formaldehyde concentrations in the leaching-test eluates of the dry-booth residues were 62-75 times higher than the EC50 value reported in the literature for formaldehyde. The results of the water-curtain booth residues showed that the samples with the highest TOC and aromatic solvent concentrations were also the most toxic. The studied excess paint residues were complex organic mixtures and contained large amounts of compounds not identifiable from chemical data. Therefore, the evaluation of the hazard based solely on available chemical data is unlikely to be sufficient, as evidenced by our study. Our results show that harmful compounds remain in the solid waste and the toxicity results of their leaching-test eluates show that toxicity may leach from residues in contact with water at landfill sites. They also confirm the benefit of combining chemical and ecotoxicological assays in assessing the potential environmental hazard of complex organic mixtures found in wastes. Copyright 2003 Elsevier B.V.

A general transformation to canonical form for potentials in pairwise interatomic interactions.

Science.gov (United States)

Walton, Jay R; Rivera-Rivera, Luis A; Lucchese, Robert R; Bevan, John W

2015-06-14

A generalized formulation of explicit force-based transformations is introduced to investigate the concept of a canonical potential in both fundamental chemical and intermolecular bonding. Different classes of representative ground electronic state pairwise interatomic interactions are referenced to a chosen canonical potential illustrating application of such transformations. Specifically, accurately determined potentials of the diatomic molecules H2, H2(+), HF, LiH, argon dimer, and one-dimensional dissociative coordinates in Ar-HBr, OC-HF, and OC-Cl2 are investigated throughout their bound potentials. Advantages of the current formulation for accurately evaluating equilibrium dissociation energies and a fundamentally different unified perspective on nature of intermolecular interactions will be emphasized. In particular, this canonical approach has significance to previous assertions that there is no very fundamental distinction between van der Waals bonding and covalent bonding or for that matter hydrogen and halogen bonds.

Fast pairwise structural RNA alignments by pruning of the dynamical programming matrix

DEFF Research Database (Denmark)

Havgaard, Jakob Hull; Torarinsson, Elfar; Gorodkin, Jan

2007-01-01

and backtracked in a normal fashion. Finally, the FOLDALIGN algorithm has also been updated with a better memory implementation and an improved energy model. With these improvements in the algorithm, the FOLDALIGN software package provides the molecular biologist with an efficient and user-friendly tool...... the advantage of providing the constraints dynamically. This has been included in a new implementation of the FOLDALIGN algorithm for pairwise local or global structural alignment of RNA sequences. It is shown that time and memory requirements are dramatically lowered while overall performance is maintained....... Furthermore, a new divide and conquer method is introduced to limit the memory requirement during global alignment and backtrack of local alignment. All branch points in the computed RNA structure are found and used to divide the structure into smaller unbranched segments. Each segment is then realigned...

Linear VSS and Distributed Commitments Based on Secret Sharing and Pairwise Checks

DEFF Research Database (Denmark)

Fehr, Serge; Maurer, Ueli M.

2002-01-01

. VSS and DC are main building blocks for unconditional secure multi-party computation protocols. This general approach covers all known linear VSS and DC schemes. The main theorem states that the security of a scheme is equivalent to a pure linear-algebra condition on the linear mappings (e.......g. described as matrices and vectors) describing the scheme. The security of all known schemes follows as corollaries whose proofs are pure linear-algebra arguments, in contrast to some hybrid arguments used in the literature. Our approach is demonstrated for the CDM DC scheme, which we generalize to be secure......We present a general treatment of all non-cryptographic (i.e., information-theoretically secure) linear veriable-secret-sharing (VSS) and distributed-commitment (DC) schemes, based on an underlying secret sharing scheme, pairwise checks between players, complaints, and accusations of the dealer...

The Effect of Pile-Up and Contact Area on Hardness Test by Nanoindentation

Science.gov (United States)

Miyake, Koji; Fujisawa, Satoru; Korenaga, Atsushi; Ishida, Takao; Sasaki, Shinya

2004-07-01

We used atomic force microscopy (AFM) for the indentation test evaluating the indentation hardness of materials in the nanometer range. BK7, fused silica, and single-crystal silicon were used as test sample materials. The data analysis processes used to determine the contact area were important in evaluating the indentation hardness of the materials. The direct measurement of the size of the residual hardness impression was useful in evaluating the contact area even in the nanometer region. The results led us to conclude that AFM indentation using a sharp indenter is a powerful method for estimating the indentation hardness in the nanometer range.

Conflicting selective forces affect T cell receptor contacts in an immunodominant human immunodeficiency virus epitope

DEFF Research Database (Denmark)

Iversen, Astrid K N; Stewart-Jones, Guillaume; Learn, Gerald H

2006-01-01

two principal, diametrically opposed evolutionary pathways that exclusively affect T cell-receptor contact residues. One pathway was characterized by acquisition of CTL escape mutations and the other by selection for wild-type amino acids. The pattern of CTL responses to epitope variants shaped which...

Contact Hwersensitaity to Mustard Khal and Mustard Oil

Directory of Open Access Journals (Sweden)

J S Pasricha

1985-01-01

Full Text Available This report describes 2 females patients having contact dermatitis due to mustard khal the residue of,mustard seeds after the oil hasbeen extracted out. The dermatitis was caused by mbdng mustard khal with the cattle feed and was occurring on the hands and forearms, though the face, ear lobules and neck were also mvolved because of the practice of applying mustard oil on the hair. Patch tests were positive with the mustard khal and its fractionation products in both the patients and with mustard oil in one patient.

AllerHunter: a SVM-pairwise system for assessment of allergenicity and allergic cross-reactivity in proteins.

Directory of Open Access Journals (Sweden)

Hon Cheng Muh

Full Text Available Allergy is a major health problem in industrialized countries. The number of transgenic food crops is growing rapidly creating the need for allergenicity assessment before they are introduced into human food chain. While existing bioinformatic methods have achieved good accuracies for highly conserved sequences, the discrimination of allergens and non-allergens from allergen-like non-allergen sequences remains difficult. We describe AllerHunter, a web-based computational system for the assessment of potential allergenicity and allergic cross-reactivity in proteins. It combines an iterative pairwise sequence similarity encoding scheme with SVM as the discriminating engine. The pairwise vectorization framework allows the system to model essential features in allergens that are involved in cross-reactivity, but not limited to distinct sets of physicochemical properties. The system was rigorously trained and tested using 1,356 known allergen and 13,449 putative non-allergen sequences. Extensive testing was performed for validation of the prediction models. The system is effective for distinguishing allergens and non-allergens from allergen-like non-allergen sequences. Testing results showed that AllerHunter, with a sensitivity of 83.4% and specificity of 96.4% (accuracy = 95.3%, area under the receiver operating characteristic curve AROC = 0.928+/-0.004 and Matthew's correlation coefficient MCC = 0.738, performs significantly better than a number of existing methods using an independent dataset of 1443 protein sequences. AllerHunter is available at (http://tiger.dbs.nus.edu.sg/AllerHunter.

Occupational contact urticaria and protein contact dermatitis.

Science.gov (United States)

Doutre, Marie-Sylvie

2005-01-01

Irritant dermatitis and eczema are the most prevalent occupational skin diseases. Less common are immediate contact reactions such as contact urticaria and protein contact dermatitis. Occupational contact urticaria can be subdivided into two categories, immunological and non immunological. However, some agents can induce these two types of reactions. Contact urticaria to natural rubber latex is particularly frequent among health care personnel, but contact urticaria to a wide variety of other substances occurs in many other occupations. Among those at risk are cooks, bakers, butchers, restaurant personnel, veterinarians, hairdressers, florists, gardeners, and forestry workers. Protein contact dermatitis in some of these occupations is caused principally by proteins of animal or plant origin, especially among individuals with a history of atopic dermatitis. Diagnosis requires careful interrogation, clinical examination and skin tests (open tests and prick tests with immediate lecture) to identify a particular contact allergen.

Process induced residual stresses and distortions in pultrusion

DEFF Research Database (Denmark)

Baran, Ismet; Tutum, Cem Celal; Nielsen, Michael Wenani

2013-01-01

In the present study, a coupled 3D transient Eulerian thermo-chemical analysis together with a 2D plane strain Lagrangian mechanical analysis of the pultrusion process, which has not been considered until now, is carried out. The development of the process induced residual stresses and strains...... together with the distortions are predicted during the pultrusion in which the cure hardening instantaneous linear elastic (CHILE) approach is implemented. At the end of the process, tension stresses prevail for the inner region of the composite since the curing rate is higher here as compared to the outer...... regions where compression stresses are obtained. The separation between the heating die and the part due to shrinkage is also investigated using a mechanical contact formulation at the die-part interface. The proposed approach is found to be efficient and fast for the calculation of the residual stresses...

Residual stresses associated with the hydraulic expansion of steam generator tubing into tubesheets

International Nuclear Information System (INIS)

Middlebrooks, W.B.; Harrod, D.L.; Gold, R.E.

1991-01-01

Westinghouse has used three different processes for the full depth expansion of tubes into the tube sheets of recirculating nuclear steam generators: mechanical rolling, explosive expansion and hydraulic expansion. Each process aims at expanding tubes tightly to tube sheets, leaving the smallest possible secondary side crevice depth, and minimizing the residual stress in the expanded tubes, all for the purpose of mitigating the effect of corrosion phenomena. The hydraulic expansion process was qualified and has been implemented since 1978, and more than 1.1 million tube ends have been hydraulically expanded into production units. In this paper, the results of the recent analytical studies related to the residual stress in the expanded tubes are summarized. The method of hydraulic expansion is explained, and some important parameters are given. Finite element method, theoretical incremental analysis, tube sheet yielding and residual stress, contact pressure, sensitivity analysis and temperature effect in the central region of tube sheets, and the residual stress in the transition zone are described. (K.I.)

Improving consensus contact prediction via server correlation reduction.

Science.gov (United States)

Gao, Xin; Bu, Dongbo; Xu, Jinbo; Li, Ming

2009-05-06

Protein inter-residue contacts play a crucial role in the determination and prediction of protein structures. Previous studies on contact prediction indicate that although template-based consensus methods outperform sequence-based methods on targets with typical templates, such consensus methods perform poorly on new fold targets. However, we find out that even for new fold targets, the models generated by threading programs can contain many true contacts. The challenge is how to identify them. In this paper, we develop an integer linear programming model for consensus contact prediction. In contrast to the simple majority voting method assuming that all the individual servers are equally important and independent, the newly developed method evaluates their correlation by using maximum likelihood estimation and extracts independent latent servers from them by using principal component analysis. An integer linear programming method is then applied to assign a weight to each latent server to maximize the difference between true contacts and false ones. The proposed method is tested on the CASP7 data set. If the top L/5 predicted contacts are evaluated where L is the protein size, the average accuracy is 73%, which is much higher than that of any previously reported study. Moreover, if only the 15 new fold CASP7 targets are considered, our method achieves an average accuracy of 37%, which is much better than that of the majority voting method, SVM-LOMETS, SVM-SEQ, and SAM-T06. These methods demonstrate an average accuracy of 13.0%, 10.8%, 25.8% and 21.2%, respectively. Reducing server correlation and optimally combining independent latent servers show a significant improvement over the traditional consensus methods. This approach can hopefully provide a powerful tool for protein structure refinement and prediction use.

Improving consensus contact prediction via server correlation reduction

Directory of Open Access Journals (Sweden)

Xu Jinbo

2009-05-01

Full Text Available Abstract Background Protein inter-residue contacts play a crucial role in the determination and prediction of protein structures. Previous studies on contact prediction indicate that although template-based consensus methods outperform sequence-based methods on targets with typical templates, such consensus methods perform poorly on new fold targets. However, we find out that even for new fold targets, the models generated by threading programs can contain many true contacts. The challenge is how to identify them. Results In this paper, we develop an integer linear programming model for consensus contact prediction. In contrast to the simple majority voting method assuming that all the individual servers are equally important and independent, the newly developed method evaluates their correlation by using maximum likelihood estimation and extracts independent latent servers from them by using principal component analysis. An integer linear programming method is then applied to assign a weight to each latent server to maximize the difference between true contacts and false ones. The proposed method is tested on the CASP7 data set. If the top L/5 predicted contacts are evaluated where L is the protein size, the average accuracy is 73%, which is much higher than that of any previously reported study. Moreover, if only the 15 new fold CASP7 targets are considered, our method achieves an average accuracy of 37%, which is much better than that of the majority voting method, SVM-LOMETS, SVM-SEQ, and SAM-T06. These methods demonstrate an average accuracy of 13.0%, 10.8%, 25.8% and 21.2%, respectively. Conclusion Reducing server correlation and optimally combining independent latent servers show a significant improvement over the traditional consensus methods. This approach can hopefully provide a powerful tool for protein structure refinement and prediction use.

Investigation of effect of post weld heat treatment conditions on residual stress for ITER blanket shield blocks

Energy Technology Data Exchange (ETDEWEB)

Jung, Hun-Chea, E-mail: hcjung@nfri.re.kr [ITER Korea, National Fusion Research Institute, Daejeon (Korea, Republic of); Kim, Sa-Woong [ITER Korea, National Fusion Research Institute, Daejeon (Korea, Republic of); Lee, Yun-Hee [Division of Convergence Technology, Korea Research Institute of Standard and Science (KRISS), Daejeon (Korea, Republic of); Baek, Seung-Wook [Division of Industrial Metrology, Korea Research Institute of Standard and Science (KRISS), Daejeon (Korea, Republic of); Ha, Min-Su; Shim, Hee-Jin [ITER Korea, National Fusion Research Institute, Daejeon (Korea, Republic of)

2016-11-01

Highlights: • PWHT for ITER blanket shield block should be performed for dimensional stability. • Investigation of the effect of PWHT conditions on properties was performed. • Instrumented indentation method for evaluation of properties was used. • Residual stress and hardness decreased with increasing PWHT temperature. • Optimization of PWHT conditions would be needed for satisfaction of requirement. - Abstract: The blanket shield block (SB) shall be required the tight tolerance because SB interfaces with many components, such as flexible support keypads, First Wall (FW) support contact surfaces, FW central bolt, electrical strap contact surfaces and attachment inserts for both FW and Vacuum Vessel (VV). In order to fulfil the tight tolerance requirement, stress relieving shall be performed for dimensional stability after cover welding operation. In this paper, effect of Post Weld Heat Treatment (PWHT) conditions, temperature and holding time, was investigated on the residual stress and hardness. The 316L Stainless Steel (SS) was prepared and welded by manual TIG welding by using filler material with 2.4 mm of diameter. Welded 316L SS plate was machined to prepare the specimen for PWHT. PWHT was implemented at 250, 300, 400 °C for 2 and 3 h (400 °C only) and residual stress after relaxation were determined. The evaluation of residual stress and hardness for each specimen was carried out by instrumented indentation technique. The residual stress and hardness were decreased with increasing the heat treatment temperature and holding time.

Accumulation of {sup 14}C-trinitrotoluene and related nonextractable (bound) residues in Eisenia fetida

Energy Technology Data Exchange (ETDEWEB)

Belden, Jason B., E-mail: jbelden@okstate.edu [Department of Zoology, Oklahoma State University, Stillwater, OK 74078 (United States); Lotufo, Guillerme R. [US Army Engineer Research and Development Center, Vicksburg, MS 39180 (United States); Chambliss, C. Kevin [Department of Chemistry, Baylor University, Waco, TX 76798 (United States); Fisher, Jonathan C. [Department of Zoology, Oklahoma State University, Stillwater, OK 74078 (United States); Johnson, Dave R.; Boyd, Robert E.; Sims, Jerre G. [US Army Engineer Research and Development Center, Vicksburg, MS 39180 (United States)

2011-05-15

To determine if trinitrotoluene (TNT) forms nonextractable residues in earthworms and to measure the relative degree of accumulation as compared to TNT and its deaminated metabolites, Eisenia fetida was exposed to {sup 14}C-TNT using dermal contact to filter paper or exposure to soil. Nonextractable residues made up 32-68% of total body burden depending on exposure media and depuration time. Parent TNT accounted for less than 3% of radioactivity, while ADNTs accounted for 7-38%. Elimination half-lives were 61-120 h for TNT, ADNTs, and DANTs, which was significantly lower than the half-lives found for nonextractable residues, 201-240 h. However, over 80% of the nonextractable residue was solubilized using weak acid (pH 2). Based on our findings that TNT accumulation occurs primarily as nonextractable residues, which have a longer half-life, and that nonextractable residues can be solubilized, we propose that nonextractable residues could be used as a selective biomarker for assessing TNT contamination. - Highlights: > Trinitrotoluene accumulation in earthworms primarily occurs as nonextractable residues. > Nonextractable residues have a significantly longer half life in the worm as compared to TNT and its solvent-extractable deaminated metabolites. > Nonextractable residue may be useful as a biomarker for exposure to TNT. - The majority of trinitrotoluene accumulation in earthworms occurs as nonextractable residues that have a significantly longer half life in the worm as compared to TNT and its solvent-extractable deaminated metabolites.

Template-based and free modeling of I-TASSER and QUARK pipelines using predicted contact maps in CASP12.

Science.gov (United States)

Zhang, Chengxin; Mortuza, S M; He, Baoji; Wang, Yanting; Zhang, Yang

2018-03-01

We develop two complementary pipelines, "Zhang-Server" and "QUARK", based on I-TASSER and QUARK pipelines for template-based modeling (TBM) and free modeling (FM), and test them in the CASP12 experiment. The combination of I-TASSER and QUARK successfully folds three medium-size FM targets that have more than 150 residues, even though the interplay between the two pipelines still awaits further optimization. Newly developed sequence-based contact prediction by NeBcon plays a critical role to enhance the quality of models, particularly for FM targets, by the new pipelines. The inclusion of NeBcon predicted contacts as restraints in the QUARK simulations results in an average TM-score of 0.41 for the best in top five predicted models, which is 37% higher than that by the QUARK simulations without contacts. In particular, there are seven targets that are converted from non-foldable to foldable (TM-score >0.5) due to the use of contact restraints in the simulations. Another additional feature in the current pipelines is the local structure quality prediction by ResQ, which provides a robust residue-level modeling error estimation. Despite the success, significant challenges still remain in ab initio modeling of multi-domain proteins and folding of β-proteins with complicated topologies bound by long-range strand-strand interactions. Improvements on domain boundary and long-range contact prediction, as well as optimal use of the predicted contacts and multiple threading alignments, are critical to address these issues seen in the CASP12 experiment. © 2017 Wiley Periodicals, Inc.

Finite element analysis of the contact interface between trans-femoral stump and prosthetic socket.

Science.gov (United States)

Zhang, Linlin; Zhu, Ming; Shen, Ling; Zheng, Feng

2013-01-01

Transfemoral amputees need prosthetic devices after amputation surgery, and the interface pressure between the residual limb and prosthetic socket has a significant effect on an amputee's satisfaction and comfort. The purpose of this study was to build a nonlinear finite element model to investigate the interface pressure between the above-knee residual limb and its prosthetic socket. The model was three-dimensional (3D) with consideration of nonlinear boundary conditions. Contact analysis was used to simulate the friction conditions between skin and the socket. The normal stresses up to 80.57 kPa at the distal end of the soft tissue. The longitudinal and circumferential shear stress distributions at the limb-socket interface were also simulated. This study explores the influences of load transfer between trans-femoral residual limb and its prosthetic socket.

Quadratic residues and non-residues selected topics

CERN Document Server

Wright, Steve

2016-01-01

This book offers an account of the classical theory of quadratic residues and non-residues with the goal of using that theory as a lens through which to view the development of some of the fundamental methods employed in modern elementary, algebraic, and analytic number theory. The first three chapters present some basic facts and the history of quadratic residues and non-residues and discuss various proofs of the Law of Quadratic Reciprosity in depth, with an emphasis on the six proofs that Gauss published. The remaining seven chapters explore some interesting applications of the Law of Quadratic Reciprocity, prove some results concerning the distribution and arithmetic structure of quadratic residues and non-residues, provide a detailed proof of Dirichlet’s Class-Number Formula, and discuss the question of whether quadratic residues are randomly distributed. The text is a valuable resource for graduate and advanced undergraduate students as well as for mathematicians interested in number theory.

Residual Isocyanates in Medical Devices and Products: A Qualitative and Quantitative Assessment

Directory of Open Access Journals (Sweden)

Gillian Franklin

2016-01-01

Full Text Available We conducted a pilot qualitative and quantitative assessment of residual isocyanates and their potential initial exposures in neonates, as little is known about their contact effect. After a neonatal intensive care unit (NICU stockroom inventory, polyurethane (PU and PU foam (PUF devices and products were qualitatively evaluated for residual isocyanates using Surface SWYPE ™ . Those containing isocyanates were quantitatively tested for methylene diphenyl diisocyanate (MDI species, using UPLC-UV-MS/MS method. Ten of 37 products and devices tested, indicated both free and bound residual surface isocyanates; PU/PUF pieces contained aromatic isocyanates; one product contained aliphatic isocyanates. Overall, quantified mean MDI concentrations were low (4,4‘-MDI = 0.52 to 140.1 pg/mg and (2,4‘-MDI = 0.01 to 4.48 pg/mg. The 4,4‘-MDI species had the highest measured concentration (280 pg/mg. Commonly used medical devices/products contain low, but measurable concentrations of residual isocyanates. Quantifying other isocyanate species and neonatal skin exposure to isocyanates from these devices and products requires further investigation.

GraphAlignment: Bayesian pairwise alignment of biological networks

Directory of Open Access Journals (Sweden)

Kolář Michal

2012-11-01

Full Text Available Abstract Background With increased experimental availability and accuracy of bio-molecular networks, tools for their comparative and evolutionary analysis are needed. A key component for such studies is the alignment of networks. Results We introduce the Bioconductor package GraphAlignment for pairwise alignment of bio-molecular networks. The alignment incorporates information both from network vertices and network edges and is based on an explicit evolutionary model, allowing inference of all scoring parameters directly from empirical data. We compare the performance of our algorithm to an alternative algorithm, Græmlin 2.0. On simulated data, GraphAlignment outperforms Græmlin 2.0 in several benchmarks except for computational complexity. When there is little or no noise in the data, GraphAlignment is slower than Græmlin 2.0. It is faster than Græmlin 2.0 when processing noisy data containing spurious vertex associations. Its typical case complexity grows approximately as O(N2.6. On empirical bacterial protein-protein interaction networks (PIN and gene co-expression networks, GraphAlignment outperforms Græmlin 2.0 with respect to coverage and specificity, albeit by a small margin. On large eukaryotic PIN, Græmlin 2.0 outperforms GraphAlignment. Conclusions The GraphAlignment algorithm is robust to spurious vertex associations, correctly resolves paralogs, and shows very good performance in identification of homologous vertices defined by high vertex and/or interaction similarity. The simplicity and generality of GraphAlignment edge scoring makes the algorithm an appropriate choice for global alignment of networks.

Beliefs about emotional residue: the idea that emotions leave a trace in the physical environment.

Science.gov (United States)

Savani, Krishna; Kumar, Satishchandra; Naidu, N V R; Dweck, Carol S

2011-10-01

Drawing upon the literatures on beliefs about magical contagion and property transmission, we examined people's belief in a novel mechanism of human-to-human contagion, emotional residue. This is the lay belief that people's emotions leave traces in the physical environment, which can later influence others or be sensed by others. Studies 1-4 demonstrated that Indians are more likely than Americans to endorse a lay theory of emotions as substances that move in and out of the body, and to claim that they can sense emotional residue. However, when the belief in emotional residue is measured implicitly, both Indians and American believe to a similar extent that emotional residue influences the moods and behaviors of those who come into contact with it (Studies 5-7). Both Indians and Americans also believe that closer relationships and a larger number of people yield more detectable residue (Study 8). Finally, Study 9 demonstrated that beliefs about emotional residue can influence people's behaviors. Together, these finding suggest that emotional residue is likely to be an intuitive concept, one that people in different cultures acquire even without explicit instruction. 2011 APA, all rights reserved

The Relationship Between Low-Frequency Motions and Community Structure of Residue Network in Protein Molecules.

Science.gov (United States)

Sun, Weitao

2018-01-01

The global shape of a protein molecule is believed to be dominant in determining low-frequency deformational motions. However, how structure dynamics relies on residue interactions remains largely unknown. The global residue community structure and the local residue interactions are two important coexisting factors imposing significant effects on low-frequency normal modes. In this work, an algorithm for community structure partition is proposed by integrating Miyazawa-Jernigan empirical potential energy as edge weight. A sensitivity parameter is defined to measure the effect of local residue interaction on low-frequency movement. We show that community structure is a more fundamental feature of residue contact networks. Moreover, we surprisingly find that low-frequency normal mode eigenvectors are sensitive to some local critical residue interaction pairs (CRIPs). A fair amount of CRIPs act as bridges and hold distributed structure components into a unified tertiary structure by bonding nearby communities. Community structure analysis and CRIP detection of 116 catalytic proteins reveal that breaking up of a CRIP can cause low-frequency allosteric movement of a residue at the far side of protein structure. The results imply that community structure and CRIP may be the structural basis for low-frequency motions.

Scoring protein interaction decoys using exposed residues (SPIDER): a novel multibody interaction scoring function based on frequent geometric patterns of interfacial residues.

Science.gov (United States)

Khashan, Raed; Zheng, Weifan; Tropsha, Alexander

2012-08-01

Accurate prediction of the structure of protein-protein complexes in computational docking experiments remains a formidable challenge. It has been recognized that identifying native or native-like poses among multiple decoys is the major bottleneck of the current scoring functions used in docking. We have developed a novel multibody pose-scoring function that has no theoretical limit on the number of residues contributing to the individual interaction terms. We use a coarse-grain representation of a protein-protein complex where each residue is represented by its side chain centroid. We apply a computational geometry approach called Almost-Delaunay tessellation that transforms protein-protein complexes into a residue contact network, or an undirectional graph where vertex-residues are nodes connected by edges. This treatment forms a family of interfacial graphs representing a dataset of protein-protein complexes. We then employ frequent subgraph mining approach to identify common interfacial residue patterns that appear in at least a subset of native protein-protein interfaces. The geometrical parameters and frequency of occurrence of each "native" pattern in the training set are used to develop the new SPIDER scoring function. SPIDER was validated using standard "ZDOCK" benchmark dataset that was not used in the development of SPIDER. We demonstrate that SPIDER scoring function ranks native and native-like poses above geometrical decoys and that it exceeds in performance a popular ZRANK scoring function. SPIDER was ranked among the top scoring functions in a recent round of CAPRI (Critical Assessment of PRedicted Interactions) blind test of protein-protein docking methods. Copyright © 2012 Wiley Periodicals, Inc.

A Numerical Simulation of Elastoplastic Contact Analysis of Compressor by Overspeeding

Directory of Open Access Journals (Sweden)

Aihua Liao

2014-04-01

Full Text Available This study analyzes the stress distribution of 3D elastoplastic contact problems by using the FE parametric quadratic programming (PQP method derived from a 3D FE model based on parametric variational principle (PVP. We numerically analyze a 24-blade compressor by combining centrifugal loading with interference-fit one. To accelerate computation, calculation is simplified by structural modeling via multisubstructuring, aiming to deal with FE-simulated computer aided design (CAD conveniently. We then analyze the relationships between the maximum residual stresses of the compressor posterior to prestressing and overspeed rpms, and we also study the distribution and magnitude of the contact stresses of the compressor in working conditions after overspeed prestressing. Moreover, we thoroughly discuss the distribution and magnitude of the contact stresses of shaft-shaft sleeve-impeller in working conditions. Relative displacement can be prevented and contact stress can be kept uniform due to the nonuniform initial amount of interference in overspeed prestressing. This paper summarizes the FEM simulation results and provides reference data for improving the design and processing of compressor impellers, indicating that overspeed is indispensable in manufacture.

Assessment of the radiological conditions in areas of Kuwait with residues of depleted uranium

International Nuclear Information System (INIS)

Cabianca, T.; Danesi, P.R.; Linsley, G.

2004-01-01

The 1991 Gulf War was the first conflict in which DU munitions were used extensively. After this conflict, questions arose regarding the possible link between exposure to ionizing radiation from DU and harmful biological effects. In view of these concerns, the Government of Kuwait, in February 2001, requested the IAEA to conduct an assessment to evaluate the possible radiological impact of residues of DU munitions from the 1991 Gulf War at 11 locations in Kuwait. For this purpose, the IAEA assembled a team of senior experts, who visited Kuwait in September 2001 to carry out a preliminary assessment of the sites and to evaluate the available information. In February 2002 scientists from the IAEA, the Spiez Laboratory (Switzerland), representing UNEP, and the Radiation Protection Department of the Ministry of Health of Kuwait, carried out a sampling campaign at these sites. Around 200 environmental samples, including soil, water and vegetation, were collected during the campaign and subsequently analysed. This study constitutes the first comprehensive radiological assessment of compliance with international radiation protection criteria and standards for areas with residues of DU munitions conducted under the auspices of the IAEA. The findings of this investigation indicate that DU does not pose a radiological hazard to the population of Kuwait. Annual radiation doses arising from exposure to DU residues would be of a few micro-sieverts, well below the annual doses from natural sources of radiation and far below the reference level recommended by the IAEA as a criterion to help establish whether remedial actions are necessary. DU penetrators can still be found at some of the locations visited. Prolonged skin contact with these residues is the only possible pathway that could result in exposures of radiological significance. As long as access to these areas remains restricted, the likelihood that members of the public could come into contact with these residues is low

Theory of pairwise coupling embedded in more general local dispersion relations

International Nuclear Information System (INIS)

Fuchs, V.; Bers, A.; Harten, L.

1985-01-01

Earlier work on the mode conversion theory by Fuchs, Ko, and Bers is detailed and expanded upon, and its relation to energy conservation is discussed. Given a local dispersion relation, D(ω; k, z) = 0, describing stable waves excited at an externally imposed frequency ω, a pairwise mode-coupling event embedded therein is extracted by expanding D(k, z) around a contour k = k/sub c/(z) given by partialD/partialk = 0. The branch points of D(k, z) = 0 are the turning points of a second-order differential-equation representation. In obtaining the fraction of mode-converted energy, the connection formula and conservation of energy must be used together. Also, proper attention must be given to distinguish cases for which the coupling disappears or persists upon confluence of the branches, a property which is shown to depend on the forward (v/sub g/v/sub ph/>0) or backward (v/sub g/v/sub ph/<0) nature of the waves. Examples occurring in ion-cyclotron and lower-hybrid heating are presented, illustrating the use of the theory

77 FR 50661 - Notice of Filing of Several Pesticide Petitions Filed for Residues of Pesticide Chemicals in or...

Science.gov (United States)

2012-08-22

... purposes. Contact: Thomas Harris, (703) 308-9423, email address: harris.thomas@epa.gov . 4. PP 2E8025. (EPA... submitted. Since there is no reasonable expectation of finding residues of dodine in livestock or poultry...

Finite element analysis for prediction of the residual stresses induced by shot peening II

International Nuclear Information System (INIS)

Kim, Cheol; Seok, Chang Sung; Yang, Won Ho; Ryu, Myung Hai

2002-01-01

Shot peening is a surface impact treatment widely used to improve the performance of metal parts and welded details subjected to fatigue loading, contact fatigue, stress corrosion and other damage mechanisms. The better performance of the peened parts is mainly due to the residual stresses resulting from the plastic deformation of the surface layers of the material caused by the impact of the shot. In this paper the simulation technique is applied to predict the magnitude and distribution of the residual stress and plastic deformation caused by shot peening with the help of finite element analysis

Low Voltage Electrowetting on Ferroelectric PVDF-HFP Insulator with Highly Tunable Contact Angle Range.

Science.gov (United States)

Sawane, Yogesh B; Ogale, Satishchandra B; Banpurkar, Arun G

2016-09-14

We demonstrate a consistent electrowetting response on ferroelectric poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) insulator covered with a thin Teflon AF layer. This bilayer exhibits a factor of 3 enhancement in the contact angle modulation compared to that of conventional single-layered Teflon AF dielectric. On the basis of the proposed model the enhancement is attributed to the high value of effective dielectric constant (εeff ≈ 6) of the bilayer. Furthermore, the bilayer dielectric exhibits a hysteresis-free contact angle modulation over many AC voltage cycles. But the contact angle modulation for DC voltage shows a hysteresis because of the field-induced residual polarization in the ferroelectric layer. Finally, we show that a thin bilayer exhibits contact angle modulation of Δθ (U) ≈ 60° at merely 15 V amplitude of AC voltage indicating a potential dielectric for practical low voltage electrowetting applications. A proof of concept confirms electrowetting based rapid mixing of a fluorescent dye in aqueous glycerol solution for 15 V AC signal.

Structure based alignment and clustering of proteins (STRALCP)

Science.gov (United States)

Zemla, Adam T.; Zhou, Carol E.; Smith, Jason R.; Lam, Marisa W.

2013-06-18

Disclosed are computational methods of clustering a set of protein structures based on local and pair-wise global similarity values. Pair-wise local and global similarity values are generated based on pair-wise structural alignments for each protein in the set of protein structures. Initially, the protein structures are clustered based on pair-wise local similarity values. The protein structures are then clustered based on pair-wise global similarity values. For each given cluster both a representative structure and spans of conserved residues are identified. The representative protein structure is used to assign newly-solved protein structures to a group. The spans are used to characterize conservation and assign a "structural footprint" to the cluster.

Investigation of the Dynamic Contact Angle Using a Direct Numerical Simulation Method.

Science.gov (United States)

Zhu, Guangpu; Yao, Jun; Zhang, Lei; Sun, Hai; Li, Aifen; Shams, Bilal

2016-11-15

A large amount of residual oil, which exists as isolated oil slugs, remains trapped in reservoirs after water flooding. Numerous numerical studies are performed to investigate the fundamental flow mechanism of oil slugs to improve flooding efficiency. Dynamic contact angle models are usually introduced to simulate an accurate contact angle and meniscus displacement of oil slugs under a high capillary number. Nevertheless, in the oil slug flow simulation process, it is unnecessary to introduce the dynamic contact angle model because of a negligible change in the meniscus displacement after using the dynamic contact angle model when the capillary number is small. Therefore, a critical capillary number should be introduced to judge whether the dynamic contact model should be incorporated into simulations. In this study, a direct numerical simulation method is employed to simulate the oil slug flow in a capillary tube at the pore scale. The position of the interface between water and the oil slug is determined using the phase-field method. The capacity and accuracy of the model are validated using a classical benchmark: a dynamic capillary filling process. Then, different dynamic contact angle models and the factors that affect the dynamic contact angle are analyzed. The meniscus displacements of oil slugs with a dynamic contact angle and a static contact angle (SCA) are obtained during simulations, and the relative error between them is calculated automatically. The relative error limit has been defined to be 5%, beyond which the dynamic contact angle model needs to be incorporated into the simulation to approach the realistic displacement. Thus, the desired critical capillary number can be determined. A three-dimensional universal chart of critical capillary number, which functions as static contact angle and viscosity ratio, is given to provide a guideline for oil slug simulation. Also, a fitting formula is presented for ease of use.

Analysing the origin of long-range interactions in proteins using lattice models

Directory of Open Access Journals (Sweden)

Unger Ron

2009-01-01

Full Text Available Abstract Background Long-range communication is very common in proteins but the physical basis of this phenomenon remains unclear. In order to gain insight into this problem, we decided to explore whether long-range interactions exist in lattice models of proteins. Lattice models of proteins have proven to capture some of the basic properties of real proteins and, thus, can be used for elucidating general principles of protein stability and folding. Results Using a computational version of double-mutant cycle analysis, we show that long-range interactions emerge in lattice models even though they are not an input feature of them. The coupling energy of both short- and long-range pairwise interactions is found to become more positive (destabilizing in a linear fashion with increasing 'contact-frequency', an entropic term that corresponds to the fraction of states in the conformational ensemble of the sequence in which the pair of residues is in contact. A mathematical derivation of the linear dependence of the coupling energy on 'contact-frequency' is provided. Conclusion Our work shows how 'contact-frequency' should be taken into account in attempts to stabilize proteins by introducing (or stabilizing contacts in the native state and/or through 'negative design' of non-native contacts.

Pairwise local structural alignment of RNA sequences with sequence similarity less than 40%

DEFF Research Database (Denmark)

Havgaard, Jakob Hull; Lyngsø, Rune B.; Stormo, Gary D.

2005-01-01

detect two genes with low sequence similarity, where the genes are part of a larger genomic region. Results: Here we present such an approach for pairwise local alignment which is based on FILDALIGN and the Sankoff algorithm for simultaneous structural alignment of multiple sequences. We include...... the ability to conduct mutual scans of two sequences of arbitrary length while searching for common local structural motifs of some maximum length. This drastically reduces the complexity of the algorithm. The scoring scheme includes structural parameters corresponding to those available for free energy....... The structure prediction performance for a family is typically around 0.7 using Matthews correlation coefficient. In case (2), the algorithm is successful at locating RNA families with an average sensitivity of 0.8 and a positive predictive value of 0.9 using a BLAST-like hit selection scheme. Availability...

Molecular dynamics study of contact mechanics: contact area and interfacial separation from small to full contact

OpenAIRE

Yang, C.; Persson, B. N. J.

2007-01-01

We report a molecular dynamics study of the contact between a rigid solid with a randomly rough surface and an elastic block with a flat surface. We study the contact area and the interfacial separation from small contact (low load) to full contact (high load). For small load the contact area varies linearly with the load and the interfacial separation depends logarithmically on the load. For high load the contact area approaches to the nominal contact area (i.e., complete contact), and the i...

Stability and selectivity of a chronic, multi-contact cuff electrode for sensory stimulation in human amputees.

Science.gov (United States)

Tan, Daniel W; Schiefer, Matthew A; Keith, Michael W; Anderson, J Robert; Tyler, Dustin J

2015-04-01

Stability and selectivity are important when restoring long-term, functional sensory feedback in individuals with limb-loss. Our objective is to demonstrate a chronic, clinical neural stimulation system for providing selective sensory response in two upper-limb amputees. Multi-contact cuff electrodes were implanted in the median, ulnar, and radial nerves of the upper-limb. Nerve stimulation produced a selective sensory response on 19 of 20 contacts and 16 of 16 contacts in subjects 1 and 2, respectively. Stimulation elicited multiple, distinct percept areas on the phantom and residual limb. Consistent threshold, impedance, and percept areas have demonstrated that the neural interface is stable for the duration of this on-going, chronic study. We have achieved selective nerve response from multi-contact cuff electrodes by demonstrating characteristic percept areas and thresholds for each contact. Selective sensory response remains consistent in two upper-limb amputees for 1 and 2 years, the longest multi-contact sensory feedback system to date. Our approach demonstrates selectivity and stability can be achieved through an extraneural interface, which can provide sensory feedback to amputees.

Contact angle and local wetting at contact line.

Science.gov (United States)

Li, Ri; Shan, Yanguang

2012-11-06

This theoretical study was motivated by recent experiments and theoretical work that had suggested the dependence of the static contact angle on the local wetting at the triple-phase contact line. We revisit this topic because the static contact angle as a local wetting parameter is still not widely understood and clearly known. To further clarify the relationship of the static contact angle with wetting, two approaches are applied to derive a general equation for the static contact angle of a droplet on a composite surface composed of heterogeneous components. A global approach based on the free surface energy of a thermodynamic system containing the droplet and solid surface shows the static contact angle as a function of local surface chemistry and local wetting state at the contact line. A local approach, in which only local forces acting on the contact line are considered, results in the same equation. The fact that the local approach agrees with the global approach further demonstrates the static contact angle as a local wetting parameter. Additionally, the study also suggests that the wetting described by the Wenzel and Cassie equations is also the local wetting of the contact line rather than the global wetting of the droplet.

[Sport injuries in full contact and semi-contact karate].

Science.gov (United States)

Greier, K; Riechelmann, H; Ziemska, J

2014-03-01

Karate enjoys great popularity both in professional and recreational sports and can be classified into full, half and low contact styles. The aim of this study was the analysis of sports injuries in Kyokushinkai (full contact) and traditional Karate (semi-contact). In a retrospective study design, 215 active amateur karateka (114 full contact, 101 semi-contact) were interviewed by means of a standardised questionnaire regarding typical sport injuries during the last 36 months. Injuries were categorised into severity grade I (not requiring medical treatment), grade II (single medical treatment), grade III (several outpatient medical treatments) and grade IV (requiring hospitalisation). In total, 217 injuries were reported in detail. 125 injuries (58%) occurred in full contact and 92 (42%) in semi-contact karate. The time related injury rate of full contact karateka was 1.9/1000 h compared to 1.3/1000 h of semi-contact karateka (p injuries were musculoskeletal contusions (33% full contact, 20% semi-contact), followed by articular sprains with 19% and 16%. The lower extremity was affected twice as often in full contact (40%) as in semi-contact (20%) karate. Training injuries were reported by 80% of the full contact and 77% of the semi-contact karateka. Most injuries, both in training and competition, occurred in kumite. 75% of the reported injuries of full contact and 70% of semi-contact karateka were classified as low grade (I or II). The high rate of injuries during training and kumite (sparring) points to specific prevention goals. The emphasis should be put on proprioceptive training and consistent warm-up. In the actual competition the referees play a vital role regarding prevention. © Georg Thieme Verlag KG Stuttgart · New York.

Molecular dynamics simulation of subnanometric tool-workpiece contact on a force sensor-integrated fast tool servo for ultra-precision microcutting

International Nuclear Information System (INIS)

Cai, Yindi; Chen, Yuan-Liu; Shimizu, Yuki; Ito, So; Gao, Wei; Zhang, Liangchi

2016-01-01

Highlights: • Subnanometric contact between a diamond tool and a copper workpiece surface is investigated by MD simulation. • A multi-relaxation time technique is proposed to eliminate the influence of the atom vibrations. • The accuracy of the elastic-plastic transition contact depth estimation is improved by observing the residual defects. • The simulation results are beneficial for optimization of the next-generation microcutting instruments. - Abstract: This paper investigates the contact characteristics between a copper workpiece and a diamond tool in a force sensor-integrated fast tool servo (FS-FTS) for single point diamond microcutting and in-process measurement of ultra-precision surface forms of the workpiece. Molecular dynamics (MD) simulations are carried out to identify the subnanometric elastic-plastic transition contact depth, at which the plastic deformation in the workpiece is initiated. This critical depth can be used to optimize the FS-FTS as well as the cutting/measurement process. It is clarified that the vibrations of the copper atoms in the MD model have a great influence on the subnanometric MD simulation results. A multi-relaxation time method is then proposed to reduce the influence of the atom vibrations based on the fact that the dominant vibration component has a certain period determined by the size of the MD model. It is also identified that for a subnanometric contact depth, the position of the tool tip for the contact force to be zero during the retracting operation of the tool does not correspond to the final depth of the permanent contact impression on the workpiece surface. The accuracy for identification of the transition contact depth is then improved by observing the residual defects on the workpiece surface after the tool retracting.

Analysis of a non-contact magnetoelastic torque transducer

International Nuclear Information System (INIS)

Andreescu, R.; Spellman, B.; Furlani, E.P.

2008-01-01

Results are presented for the performance of a magnetoelastic torque transducer that converts a torque-induced strain in a non-magnetic shaft into changes in a measurable magnetic field. The magnetic field is generated by a thin magnetostrictive layer that is coated onto the circumference of the shaft. The layer is magnetized and has an initial residual strain. The magnetization within the layer rotates in response to changes in the strain which occur when the shaft is torqued. The magnetic field produced by the layer changes with the magnetization and this can be sensed by a magnetometer to monitor the torque on the shaft. In this paper, a phenomenological theory is developed for predicting the performance of the transducer. The theory can be used to predict the magnetic field distribution of the transducer as a function of the physical properties of the magnetic coating, its residual strain, and the applied torque. It enables rapid parametric analysis of transducer performance, which is useful for the development and optimization of novel non-contact torque sensors

Graphical analysis of NMR structural quality and interactive contact map of NOE assignments in ARIA

Directory of Open Access Journals (Sweden)

Malliavin Thérèse E

2008-06-01

Full Text Available Abstract Background The Ambiguous Restraints for Iterative Assignment (ARIA approach is widely used for NMR structure determination. It is based on simultaneously calculating structures and assigning NOE through an iterative protocol. The final solution consists of a set of conformers and a list of most probable assignments for the input NOE peak list. Results ARIA was extended with a series of graphical tools to facilitate a detailed analysis of the intermediate and final results of the ARIA protocol. These additional features provide (i an interactive contact map, serving as a tool for the analysis of assignments, and (ii graphical representations of structure quality scores and restraint statistics. The interactive contact map between residues can be clicked to obtain information about the restraints and their contributions. Profiles of quality scores are plotted along the protein sequence, and contact maps provide information of the agreement with the data on a residue pair level. Conclusion The graphical tools and outputs described here significantly extend the validation and analysis possibilities of NOE assignments given by ARIA as well as the analysis of the quality of the final structure ensemble. These tools are included in the latest version of ARIA, which is available at http://aria.pasteur.fr. The Web site also contains an installation guide, a user manual and example calculations.

Contact and Non-contact Measurements of Grinding Pins

Directory of Open Access Journals (Sweden)

Magdziak Marek

2015-01-01

Full Text Available The paper presents the results of contact and non-contact measurements of external profiles of selected grinding pins. The measurements were conducted in order to choose the appropriate measuring technique in the case of the considered measurement task. In the case of contact measurements the coordinate measuring machine ACCURA II was applied. The used coordinate measuring machine was equipped with the contact scanning probe VAST XT and the Calypso inspection software. Contact coordinate measurements were performed by using of different measurement strategies. The applied strategies included different scanning velocities and distances between measured points. Non-contact measurements were conducted by means of the tool presetter produced by the Mahr company. On the basis of gained results the guidelines concerning measurements of grinding pins were formulated. The measurements of analyzed grinding pins performed by means of the non-contact measuring system are characterized by higher reproducibility than the contact measurements. The low reproducibility of contact measurements may be connected with the inaccuracy of the selected coordinate measuring machine and the measuring probe, the measurement parameters and environmental conditions in the laboratory where the coordinate measuring machine is located. Moreover, the paper presents the possible application of results of conducted investigations. The results of non-contact measurements can be used in the simulation studies of grinding processes. The simulations may reduce the costs of machining processes.

New Measurement for Correlation of Co-evolution Relationship of Subsequences in Protein.

Science.gov (United States)

Gao, Hongyun; Yu, Xiaoqing; Dou, Yongchao; Wang, Jun

2015-12-01

Many computational tools have been developed to measure the protein residues co-evolution. Most of them only focus on co-evolution for pairwise residues in a protein sequence. However, number of residues participate in co-evolution might be multiple. And some co-evolved residues are clustered in several distinct regions in primary structure. Therefore, the co-evolution among the adjacent residues and the correlation between the distinct regions offer insights into function and evolution of the protein and residues. Subsequence is used to represent the adjacent multiple residues in one distinct region. In the paper, co-evolution relationship in each subsequence is represented by mutual information matrix (MIM). Then, Pearson's correlation coefficient: R value is developed to measure the similarity correlation of two MIMs. MSAs from Catalytic Data Base (Catalytic Site Atlas, CSA) are used for testing. R value characterizes a specific class of residues. In contrast to individual pairwise co-evolved residues, adjacent residues without high individual MI values are found since the co-evolved relationship among them is similar to that among another set of adjacent residues. These subsequences possess some flexibility in the composition of side chains, such as the catalyzed environment.

Screening synteny blocks in pairwise genome comparisons through integer programming.

Science.gov (United States)

Tang, Haibao; Lyons, Eric; Pedersen, Brent; Schnable, James C; Paterson, Andrew H; Freeling, Michael

2011-04-18

It is difficult to accurately interpret chromosomal correspondences such as true orthology and paralogy due to significant divergence of genomes from a common ancestor. Analyses are particularly problematic among lineages that have repeatedly experienced whole genome duplication (WGD) events. To compare multiple "subgenomes" derived from genome duplications, we need to relax the traditional requirements of "one-to-one" syntenic matchings of genomic regions in order to reflect "one-to-many" or more generally "many-to-many" matchings. However this relaxation may result in the identification of synteny blocks that are derived from ancient shared WGDs that are not of interest. For many downstream analyses, we need to eliminate weak, low scoring alignments from pairwise genome comparisons. Our goal is to objectively select subset of synteny blocks whose total scores are maximized while respecting the duplication history of the genomes in comparison. We call this "quota-based" screening of synteny blocks in order to appropriately fill a quota of syntenic relationships within one genome or between two genomes having WGD events. We have formulated the synteny block screening as an optimization problem known as "Binary Integer Programming" (BIP), which is solved using existing linear programming solvers. The computer program QUOTA-ALIGN performs this task by creating a clear objective function that maximizes the compatible set of synteny blocks under given constraints on overlaps and depths (corresponding to the duplication history in respective genomes). Such a procedure is useful for any pairwise synteny alignments, but is most useful in lineages affected by multiple WGDs, like plants or fish lineages. For example, there should be a 1:2 ploidy relationship between genome A and B if genome B had an independent WGD subsequent to the divergence of the two genomes. We show through simulations and real examples using plant genomes in the rosid superorder that the quota

Characterization of Solids in Residual Wastes from Single-Shell Tanks at the Hanford Site, Washington, USA - 9277

International Nuclear Information System (INIS)

Krupka, Kenneth M.; Cantrell, Kirk J.; Schaef, Herbert T.; Arey, Bruce W.; Heald, Steve M.; Deutsch, William J.; Lindberg, Michael J.

2009-01-01

Solid-phase characterization methods have been used in an ongoing study of residual wastes (i.e., waste remaining after final retrieval operations) from the underground single-shell storage tanks 241-C-103, 241-C-106, 241-C-202, 241-C-203, and 241-S-112 at the U.S. Department of Energy's Hanford Site in Washington State. The results of studies completed to date show significant variability in the compositions of those residual wastes and the compositions, morphologies, and crystallinities of the individual phases that make up these wastes. These differences undoubtedly result from the various waste types stored and transferred in and out each tank and the sluicing and retrieval operations used for waste retrieval. Our studies indicate that these residual wastes are chemically-complex assemblages of crystalline and amorphous solids that contain contaminants as discrete phases and/or co-precipitated within oxide phases. Depending on the specific tank, various solids (e.g., gibbsite; boehmite; dawsonite; cancrinite; Fe oxides such as hematite, goethite, and maghemite; rhodochrosite; lindbergite; whewellite; nitratine; and numerous amorphous or poorly crystalline phases) have been identified by X-ray diffraction and scanning electron microscopy/energy dispersive X-ray spectroscopy in residual wastes studied to date. Our studies also show that contact of residual wastes with Ca(OH)2- and CaCO3-saturated aqueous solutions, which were used as surrogates for the compositions of pore-fluid leachants derived from young and aged cements respectively, may alter the compositions of solid phases present in the contacted wastes. Fe oxides/hydroxides have been identified in all residual wastes studied to date. They occur in these wastes as discrete particles, particles intergrown within a matrix of other phases, and surface coatings on other particles or particle aggregates. These Fe oxides/hydroxides typically contain trace concentrations of other transition metals, such Cr, Mn

On the relationship between residue structural environment and sequence conservation in proteins.

Science.gov (United States)

Liu, Jen-Wei; Lin, Jau-Ji; Cheng, Chih-Wen; Lin, Yu-Feng; Hwang, Jenn-Kang; Huang, Tsun-Tsao

2017-09-01

Residues that are crucial to protein function or structure are usually evolutionarily conserved. To identify the important residues in protein, sequence conservation is estimated, and current methods rely upon the unbiased collection of homologous sequences. Surprisingly, our previous studies have shown that the sequence conservation is closely correlated with the weighted contact number (WCN), a measure of packing density for residue's structural environment, calculated only based on the C α positions of a protein structure. Moreover, studies have shown that sequence conservation is correlated with environment-related structural properties calculated based on different protein substructures, such as a protein's all atoms, backbone atoms, side-chain atoms, or side-chain centroid. To know whether the C α atomic positions are adequate to show the relationship between residue environment and sequence conservation or not, here we compared C α atoms with other substructures in their contributions to the sequence conservation. Our results show that C α positions are substantially equivalent to the other substructures in calculations of various measures of residue environment. As a result, the overlapping contributions between C α atoms and the other substructures are high, yielding similar structure-conservation relationship. Take the WCN as an example, the average overlapping contribution to sequence conservation is 87% between C α and all-atom substructures. These results indicate that only C α atoms of a protein structure could reflect sequence conservation at the residue level. © 2017 Wiley Periodicals, Inc.

Computational stress and damage modelling for rolling contact fatigue

DEFF Research Database (Denmark)

Cerullo, Michele

Rolling contact fatigue in radial roller bearings is studied by means of a 2D plane strain nite element program. The Dang Van multiaxial fatigue criterion is firstly used, in a macroscopic study modeling the bearing raceway, to investigate the region where fatigue cracks are more likely to nucleate...... and of compressive residual stresses are also analyzed. The stress history of a material point at the depth where the maximum Dang Van damage factor is reached is then recorded and used in a subsequent micro-mechanical analysis. The stress history is applied as periodic boundary conditions in a representative volume...

Different strategies for recovering metals from CARON process residue

International Nuclear Information System (INIS)

Cabrera, G.; Gomez, J.M.; Hernandez, I.; Coto, O.; Cantero, D.

2011-01-01

The capacity of Acidithiobacillus thiooxidans DMS 11478 to recover the heavy metals contained in the residue obtained from the CARON process has been evaluated. Different bioreactor configurations were studied: a two-stage batch system and two semi-continuous systems (stirred-tank reactor leaching and column leaching). In the two-stage system, 46.8% Co, 36.0% Mg, 26.3% Mn and 22.3% Ni were solubilised after 6 h of contact between the residue and the bacteria-free bioacid. The results obtained with the stirred-tank reactor and the column were similar: 50% of the Mg and Co and 40% of the Mn and Ni were solubilised after thirty one days. The operation in the column reactor allowed the solid-liquid ratio to be increased and the pH to be kept at low values (<1.0). Recirculation of the leachate in the column had a positive effect on metal removal; at sixty five days (optimum time) the solubilisation levels were as follows: 86% Co, 83% Mg, 72% Mn and Ni, 62% Fe and 23% Cr. The results corroborate the feasibility of the systems studied for the leaching of metals from CARON process residue and these methodologies can be considered viable for the recovery of valuable metals.

An elastic-plastic contact model for line contact structures

Science.gov (United States)

Zhu, Haibin; Zhao, Yingtao; He, Zhifeng; Zhang, Ruinan; Ma, Shaopeng

2018-06-01

Although numerical simulation tools are now very powerful, the development of analytical models is very important for the prediction of the mechanical behaviour of line contact structures for deeply understanding contact problems and engineering applications. For the line contact structures widely used in the engineering field, few analytical models are available for predicting the mechanical behaviour when the structures deform plastically, as the classic Hertz's theory would be invalid. Thus, the present study proposed an elastic-plastic model for line contact structures based on the understanding of the yield mechanism. A mathematical expression describing the global relationship between load history and contact width evolution of line contact structures was obtained. The proposed model was verified through an actual line contact test and a corresponding numerical simulation. The results confirmed that this model can be used to accurately predict the elastic-plastic mechanical behaviour of a line contact structure.

Equilibrium contact angle or the most-stable contact angle?

Science.gov (United States)

Montes Ruiz-Cabello, F J; Rodríguez-Valverde, M A; Cabrerizo-Vílchez, M A

2014-04-01

It is well-established that the equilibrium contact angle in a thermodynamic framework is an "unattainable" contact angle. Instead, the most-stable contact angle obtained from mechanical stimuli of the system is indeed experimentally accessible. Monitoring the susceptibility of a sessile drop to a mechanical stimulus enables to identify the most stable drop configuration within the practical range of contact angle hysteresis. Two different stimuli may be used with sessile drops: mechanical vibration and tilting. The most stable drop against vibration should reveal the changeless contact angle but against the gravity force, it should reveal the highest resistance to slide down. After the corresponding mechanical stimulus, once the excited drop configuration is examined, the focus will be on the contact angle of the initial drop configuration. This methodology needs to map significantly the static drop configurations with different stable contact angles. The most-stable contact angle, together with the advancing and receding contact angles, completes the description of physically realizable configurations of a solid-liquid system. Since the most-stable contact angle is energetically significant, it may be used in the Wenzel, Cassie or Cassie-Baxter equations accordingly or for the surface energy evaluation. © 2013 Elsevier B.V. All rights reserved.

Residue Geometry Networks: A Rigidity-Based Approach to the Amino Acid Network and Evolutionary Rate Analysis

Science.gov (United States)

Fokas, Alexander S.; Cole, Daniel J.; Ahnert, Sebastian E.; Chin, Alex W.

2016-01-01

Amino acid networks (AANs) abstract the protein structure by recording the amino acid contacts and can provide insight into protein function. Herein, we describe a novel AAN construction technique that employs the rigidity analysis tool, FIRST, to build the AAN, which we refer to as the residue geometry network (RGN). We show that this new construction can be combined with network theory methods to include the effects of allowed conformal motions and local chemical environments. Importantly, this is done without costly molecular dynamics simulations required by other AAN-related methods, which allows us to analyse large proteins and/or data sets. We have calculated the centrality of the residues belonging to 795 proteins. The results display a strong, negative correlation between residue centrality and the evolutionary rate. Furthermore, among residues with high closeness, those with low degree were particularly strongly conserved. Random walk simulations using the RGN were also successful in identifying allosteric residues in proteins involved in GPCR signalling. The dynamic function of these residues largely remain hidden in the traditional distance-cutoff construction technique. Despite being constructed from only the crystal structure, the results in this paper suggests that the RGN can identify residues that fulfil a dynamical function. PMID:27623708

pyRMSD: a Python package for efficient pairwise RMSD matrix calculation and handling.

Science.gov (United States)

Gil, Víctor A; Guallar, Víctor

2013-09-15

We introduce pyRMSD, an open source standalone Python package that aims at offering an integrative and efficient way of performing Root Mean Square Deviation (RMSD)-related calculations of large sets of structures. It is specially tuned to do fast collective RMSD calculations, as pairwise RMSD matrices, implementing up to three well-known superposition algorithms. pyRMSD provides its own symmetric distance matrix class that, besides the fact that it can be used as a regular matrix, helps to save memory and increases memory access speed. This last feature can dramatically improve the overall performance of any Python algorithm using it. In addition, its extensibility, testing suites and documentation make it a good choice to those in need of a workbench for developing or testing new algorithms. The source code (under MIT license), installer, test suites and benchmarks can be found at https://pele.bsc.es/ under the tools section. victor.guallar@bsc.es Supplementary data are available at Bioinformatics online.

The pairwise phase consistency in cortical network and its relationship with neuronal activation

Directory of Open Access Journals (Sweden)

Wang Daming

2017-01-01

Full Text Available Gamma-band neuronal oscillation and synchronization with the range of 30-90 Hz are ubiquitous phenomenon across numerous brain areas and various species, and correlated with plenty of cognitive functions. The phase of the oscillation, as one aspect of CTC (Communication through Coherence hypothesis, underlies various functions for feature coding, memory processing and behaviour performing. The PPC (Pairwise Phase Consistency, an improved coherence measure, statistically quantifies the strength of phase synchronization. In order to evaluate the PPC and its relationships with input stimulus, neuronal activation and firing rate, a simplified spiking neuronal network is constructed to simulate orientation columns in primary visual cortex. If the input orientation stimulus is preferred for a certain orientation column, neurons within this corresponding column will obtain higher firing rate and stronger neuronal activation, which consequently engender higher PPC values, with higher PPC corresponding to higher firing rate. In addition, we investigate the PPC in time resolved analysis with a sliding window.

Video-based depression detection using local Curvelet binary patterns in pairwise orthogonal planes.

Science.gov (United States)

Pampouchidou, Anastasia; Marias, Kostas; Tsiknakis, Manolis; Simos, Panagiotis; Fan Yang; Lemaitre, Guillaume; Meriaudeau, Fabrice

2016-08-01

Depression is an increasingly prevalent mood disorder. This is the reason why the field of computer-based depression assessment has been gaining the attention of the research community during the past couple of years. The present work proposes two algorithms for depression detection, one Frame-based and the second Video-based, both employing Curvelet transform and Local Binary Patterns. The main advantage of these methods is that they have significantly lower computational requirements, as the extracted features are of very low dimensionality. This is achieved by modifying the previously proposed algorithm which considers Three-Orthogonal-Planes, to only Pairwise-Orthogonal-Planes. Performance of the algorithms was tested on the benchmark dataset provided by the Audio/Visual Emotion Challenge 2014, with the person-specific system achieving 97.6% classification accuracy, and the person-independed one yielding promising preliminary results of 74.5% accuracy. The paper concludes with open issues, proposed solutions, and future plans.

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.

Plastic deformation, residual stress, and crystalline texture measurements for in-process characterization of FCC metal alloys

International Nuclear Information System (INIS)

Ruud, C.O.; Jacobs, M.E.; Weedman, S.D.; Snoha, D.J.

1989-01-01

This paper describes the results of several on-going investigations on the measurement of plastic deformation, residual stress, and crystalline texture in nickel, copper, and aluminum base alloys by x-ray diffraction techniques. X-ray diffraction techniques have been shown to be effective in the measurement of plastic deformation, residual stress, and crystalline texture in FCC metals, from the breadth, position, and intensity of the x-ray diffraction peaks. The Ruud-Barrett position-sensitive scintillation detector has been demonstrated to be fast, non-contacting, and tolerant of detector to component distance variation -- necessary requirements for cost-effective in-process inspection of materials

Residual stresses

International Nuclear Information System (INIS)

Sahotra, I.M.

2006-01-01

The principal effect of unloading a material strained into the plastic range is to create a permanent set (plastic deformation), which if restricted somehow, gives rise to a system of self-balancing within the same member or reaction balanced by other members of the structure., known as residual stresses. These stresses stay there as locked-in stresses, in the body or a part of it in the absence of any external loading. Residual stresses are induced during hot-rolling and welding differential cooling, cold-forming and extruding: cold straightening and spot heating, fabrication and forced fitting of components constraining the structure to a particular geometry. The areas which cool more quickly develop residual compressive stresses, while the slower cooling areas develop residual tensile stresses, and a self-balancing or reaction balanced system of residual stresses is formed. The phenomenon of residual stresses is the most challenging in its application in surface modification techniques determining endurance mechanism against fracture and fatigue failures. This paper discusses the mechanism of residual stresses, that how the residual stresses are fanned and what their behavior is under the action of external forces. Such as in the case of a circular bar under limit torque, rectangular beam under limt moment, reclaiming of shafts welds and peening etc. (author)

76 FR 69690 - Receipt of Several Pesticide Petitions Filed for Residues of Pesticide Chemicals in or on Various...

Science.gov (United States)

2011-11-09

..., but are not limited to: [emsp14]Crop production (NAICS code 111). [emsp14]Animal production (NAICS... be affected. The North American Industrial Classification System (NAICS) codes have been provided to... detection of residues by gas chromatography using nitrogen phosphorous detection (GC/NPD). Contact: Andrew...

Hanford Tank 241-C-106: Impact of Cement Reactions on Release of Contaminants from Residual Waste

International Nuclear Information System (INIS)

Deutsch, William J.; Krupka, Kenneth M.; Lindberg, Michael J.; Cantrell, Kirk J.; Brown, Christopher F.; Schaef, Herbert T.

2006-01-01

The CH2M HILL Hanford Group, Inc. (CH2M HILL) is producing risk/performance assessments to support the closure of single-shell tanks at the U.S. Department of Energy's Hanford Site. As part of this effort, staff at Pacific Northwest National Laboratory were asked to develop release models for contaminants of concern that are present in residual sludge remaining in tank 241-C-106 (C-106) after final retrieval of waste from the tank. Initial work to produce release models was conducted on residual tank sludge using pure water as the leaching agent. The results were reported in an earlier report. The decision has now been made to close the tanks after waste retrieval with a cementitious grout to minimize infiltration and maintain the physical integrity of the tanks. This report describes testing of the residual waste with a leaching solution that simulates the composition of water passing through the grout and contacting the residual waste at the bottom of the tank.

The MARS15-based FermiCORD code system for calculation of the accelerator-induced residual dose

Energy Technology Data Exchange (ETDEWEB)

Grebe, A.; Leveling, A.; Lu, T.; Mokhov, N.; Pronskikh, V.

2018-01-01

The FermiCORD code system, a set of codes based on MARS15 that calculates the accelerator-induced residual doses at experimental facilities of arbitrary configurations, has been developed. FermiCORD is written in C++ as an add-on to Fortran-based MARS15. The FermiCORD algorithm consists of two stages: 1) simulation of residual doses on contact with the surfaces surrounding the studied location and of radionuclide inventories in the structures surrounding those locations using MARS15, and 2) simulation of the emission of the nuclear decay gamma-quanta by the residuals in the activated structures and scoring the prompt doses of these gamma-quanta at arbitrary distances from those structures. The FermiCORD code system has been benchmarked against similar algorithms based on other code systems and showed a good agreement. The code system has been applied for calculation of the residual dose of the target station for the Mu2e experiment and the results have been compared to approximate dosimetric approaches.

AcconPred: Predicting Solvent Accessibility and Contact Number Simultaneously by a Multitask Learning Framework under the Conditional Neural Fields Model.

Science.gov (United States)

Ma, Jianzhu; Wang, Sheng

2015-01-01

The solvent accessibility of protein residues is one of the driving forces of protein folding, while the contact number of protein residues limits the possibilities of protein conformations. The de novo prediction of these properties from protein sequence is important for the study of protein structure and function. Although these two properties are certainly related with each other, it is challenging to exploit this dependency for the prediction. We present a method AcconPred for predicting solvent accessibility and contact number simultaneously, which is based on a shared weight multitask learning framework under the CNF (conditional neural fields) model. The multitask learning framework on a collection of related tasks provides more accurate prediction than the framework trained only on a single task. The CNF method not only models the complex relationship between the input features and the predicted labels, but also exploits the interdependency among adjacent labels. Trained on 5729 monomeric soluble globular protein datasets, AcconPred could reach 0.68 three-state accuracy for solvent accessibility and 0.75 correlation for contact number. Tested on the 105 CASP11 domain datasets for solvent accessibility, AcconPred could reach 0.64 accuracy, which outperforms existing methods.

Reducing contact resistance in graphene devices through contact area patterning.

Science.gov (United States)

Smith, Joshua T; Franklin, Aaron D; Farmer, Damon B; Dimitrakopoulos, Christos D

2013-04-23

Performance of graphene electronics is limited by contact resistance associated with the metal-graphene (M-G) interface, where unique transport challenges arise as carriers are injected from a 3D metal into a 2D-graphene sheet. In this work, enhanced carrier injection is experimentally achieved in graphene devices by forming cuts in the graphene within the contact regions. These cuts are oriented normal to the channel and facilitate bonding between the contact metal and carbon atoms at the graphene cut edges, reproducibly maximizing "edge-contacted" injection. Despite the reduction in M-G contact area caused by these cuts, we find that a 32% reduction in contact resistance results in Cu-contacted, two-terminal devices, while a 22% reduction is achieved for top-gated graphene transistors with Pd contacts as compared to conventionally fabricated devices. The crucial role of contact annealing to facilitate this improvement is also elucidated. This simple approach provides a reliable and reproducible means of lowering contact resistance in graphene devices to bolster performance. Importantly, this enhancement requires no additional processing steps.

77 FR 75082 - Notice of Receipt of Several Pesticide Petitions Filed for Residues of Pesticide Chemicals in or...

Science.gov (United States)

2012-12-19

...) following sample extraction, hydrolysis (to convert CHNP-glucoside to its aglycone, CHNP) and solid-phase... method for analysis of large animal tissues includes extraction of the residues of concern, followed by... analysis of milk eliminated the initial extraction step in the tissue method. Contact: Rosemary Kearns...

Residual stresses

International Nuclear Information System (INIS)

Macherauch, E.

1978-01-01

Residual stresses are stresses which exist in a material without the influence of external powers and moments. They come into existence when the volume of a material constantly changes its form as a consequence of mechanical, thermal, and/or chemical processes and is hindered by neighbouring volumes. Bodies with residual stress are in mechanical balance. These residual stresses can be manifested by means of all mechanical interventions disturbing this balance. Acoustical, optical, radiological, and magnetical methods involving material changes caused by residual stress can also serve for determining residual stress. Residual stresses have an ambivalent character. In technical practice, they are feared and liked at the same time. They cause trouble because they can be the cause for unexpected behaviour of construction elements. They are feared since they can cause failure, in the worst case with catastrophical consequences. They are appreciated, on the other hand, because, in many cases, they can contribute to improvements of the material behaviour under certain circumstances. But they are especially liked for their giving convenient and (this is most important) mostly uncontrollable explanations. For only in very few cases we have enough knowledge and possibilities for the objective evaluation of residual stresses. (orig.) [de

Prioritized Contact Transport Stream

Science.gov (United States)

Hunt, Walter Lee, Jr. (Inventor)

2015-01-01

A detection process, contact recognition process, classification process, and identification process are applied to raw sensor data to produce an identified contact record set containing one or more identified contact records. A prioritization process is applied to the identified contact record set to assign a contact priority to each contact record in the identified contact record set. Data are removed from the contact records in the identified contact record set based on the contact priorities assigned to those contact records. A first contact stream is produced from the resulting contact records. The first contact stream is streamed in a contact transport stream. The contact transport stream may include and stream additional contact streams. The contact transport stream may be varied dynamically over time based on parameters such as available bandwidth, contact priority, presence/absence of contacts, system state, and configuration parameters.

Analysis of residual toluene in food packaging via headspace extraction method using gas chromatography

International Nuclear Information System (INIS)

Lim, Ying Chin; Mohd Marsin Sanagi

2008-01-01

Polymeric materials are used in many food contact applications as packaging material. The presence of residual toluene in this food packaging material can migrate into food and thus affect the quality of food. In this study, a manual headspace analysis was successfully designed and developed. The determination of residual toluene was carried out with standard addition method and multiple headspace extraction, MHE) method using gas chromatography-flame ionization detector, GC-FID). Identification of toluene was performed by comparison of its retention time with standard toluene and GC-MS. It was found that the suitable heating temperature was 180 degree Celsius with an optimum heating time of 10 minutes. The study also found that the concentration of residual toluene in multicolored sample was higher compared to mono colored sample whereas residual toluene in sample analyzed using standard addition method was higher compared to MHE method. However, comparison with the results obtained from De Paris laboratory, France found that MHE method gave higher accuracy for sample with low analyte concentration. On the other hand, lower accuracy was obtained for sample with high concentration of residual toluene due to systematic errors. Comparison between determination methods showed that MHE method is more precise compared to standard addition method. (author)

Visualization of pairwise and multilocus linkage disequilibrium structure using latent forests.

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Raphaël Mourad

Full Text Available Linkage disequilibrium study represents a major issue in statistical genetics as it plays a fundamental role in gene mapping and helps us to learn more about human history. The linkage disequilibrium complex structure makes its exploratory data analysis essential yet challenging. Visualization methods, such as the triangular heat map implemented in Haploview, provide simple and useful tools to help understand complex genetic patterns, but remain insufficient to fully describe them. Probabilistic graphical models have been widely recognized as a powerful formalism allowing a concise and accurate modeling of dependences between variables. In this paper, we propose a method for short-range, long-range and chromosome-wide linkage disequilibrium visualization using forests of hierarchical latent class models. Thanks to its hierarchical nature, our method is shown to provide a compact view of both pairwise and multilocus linkage disequilibrium spatial structures for the geneticist. Besides, a multilocus linkage disequilibrium measure has been designed to evaluate linkage disequilibrium in hierarchy clusters. To learn the proposed model, a new scalable algorithm is presented. It constrains the dependence scope, relying on physical positions, and is able to deal with more than one hundred thousand single nucleotide polymorphisms. The proposed algorithm is fast and does not require phase genotypic data.

American Contact Dermatitis Society Contact Allergy Management Program: An Epidemiologic Tool to Determine Relative Prevalence of Contact Allergens.

Science.gov (United States)

Scheman, Andrew; Severson, David

2016-01-01

Data on the prevalence of contact allergy in North America are currently reported by groups of academic contact allergy specialists at select academic centers. Sampling of data from numerous centers across North America, including practices performing more limited patch testing, would provide a broader perspective of contact allergen prevalence in North America. The American Contact Dermatitis Society Contact Allergy Management Program is an ideal tool for collection of epidemiologic data regarding contact allergy prevalence in North America. The aim of the study was to identify the relative prevalence of contact allergy to common contact allergens in North America. Mapping of Contact Allergy Management Program (CAMP) data was performed to allow analysis of how frequently searches were performed for various contact allergens. The number of searches performed for specific allergens provides a measure of the relative prevalence of contact allergy to these allergens. The top 35 allergens for the period from November 18, 2012 to November 18, 2013 are reported. Although these data are useful, specific recommendations for minor alterations to CAMP are discussed, which will allow future CAMP data to be stratified and more powerful. With minor modifications, CAMP can provide a quantum leap in the reporting of contact allergy epidemiologic data in North America.

Effects of laser shock peening with contacting foil on micro laser texturing surface of Ti6Al4V

Science.gov (United States)

Dai, Fengze; Zhang, Zidong; Ren, Xudong; Lu, Jinzhong; Huang, Shu

2018-02-01

Ti6Al4V samples with micro-dimple arrays were subjected to laser shock peening in contact with foil (HCLSP). The surface roughness, micro-hardness, the residual stress distribution and the surface morphology of the micro-dimple arrays were studied to evaluate the effects of HCLSP. Moreover, the surface topography of the foils in contact was also analyzed. The gap existence between the foil and the to-be treated surface led the mechanism of HCLSP to be different compared to regular laser shock peening. The surface roughness reduction, the work-hardening effects, the compressive residual stress and the micro crack enclosure were achieved. A simplified ball-hitting-surface model was utilized to analyze the HCLSP impact. The model could well explain the experimental results. When treated by the HCLSP with H62 foil at the laser power density of 4.24 GW/cm2, the Ti6Al4V samples with micro-dimple arrays exhibit well surface topography and mechanical performance.

Dynamical pairwise entanglement and two-point correlations in the three-ligand spin-star structure

Science.gov (United States)

Motamedifar, M.

2017-10-01

We consider the three-ligand spin-star structure through homogeneous Heisenberg interactions (XXX-3LSSS) in the framework of dynamical pairwise entanglement. It is shown that the time evolution of the central qubit ;one-particle; state (COPS) brings about the generation of quantum W states at periodical time instants. On the contrary, W states cannot be generated from the time evolution of a ligand ;one-particle; state (LOPS). We also investigate the dynamical behavior of two-point quantum correlations as well as the expectation values of the different spin-components for each element in the XXX-3LSSS. It is found that when a W state is generated, the same value of the concurrence between any two arbitrary qubits arises from the xx and yy two-point quantum correlations. On the opposite, zz quantum correlation between any two qubits vanishes at these time instants.

Bio-inspired Edible Superhydrophobic Interface for Reducing Residual Liquid Food.

Science.gov (United States)

Li, Yao; Bi, Jingran; Wang, Siqi; Zhang, Tan; Xu, Xiaomeng; Wang, Haitao; Cheng, Shasha; Zhu, Bei-Wei; Tan, Mingqian

2018-03-07

Significant wastage of residual liquid food, such as milk, yogurt, and honey, in food containers has attracted great attention. In this work, a bio-inspired edible superhydrophobic interface was fabricated using U.S. Food and Drug Administration-approved and edible honeycomb wax, arabic gum, and gelatin by a simple and low-cost method. The bio-inspired edible superhydrophobic interface showed multiscale structures, which were similar to that of a lotus leaf surface. This bio-inspired edible superhydrophobic interface displayed high contact angles for a variety of liquid foods, and the residue of liquid foods could be effectively reduced using the bio-inspired interface. To improve the adhesive force of the superhydrophobic interface, a flexible edible elastic film was fabricated between the interface and substrate material. After repeated folding and flushing for a long time, the interface still maintained excellent superhydrophobic property. The bio-inspired edible superhydrophobic interface showed good biocompatibility, which may have potential applications as a functional packaging interface material.

Language Contact.

Science.gov (United States)

Nelde, Peter Hans

1995-01-01

Examines the phenomenon of language contact and recent trends in linguistic contact research, which focuses on language use, language users, and language spheres. Also discusses the role of linguistic and cultural conflicts in language contact situations. (13 references) (MDM)

DIALIGN P: Fast pair-wise and multiple sequence alignment using parallel processors

Directory of Open Access Journals (Sweden)

Kaufmann Michael

2004-09-01

Full Text Available Abstract Background Parallel computing is frequently used to speed up computationally expensive tasks in Bioinformatics. Results Herein, a parallel version of the multi-alignment program DIALIGN is introduced. We propose two ways of dividing the program into independent sub-routines that can be run on different processors: (a pair-wise sequence alignments that are used as a first step to multiple alignment account for most of the CPU time in DIALIGN. Since alignments of different sequence pairs are completely independent of each other, they can be distributed to multiple processors without any effect on the resulting output alignments. (b For alignments of large genomic sequences, we use a heuristics by splitting up sequences into sub-sequences based on a previously introduced anchored alignment procedure. For our test sequences, this combined approach reduces the program running time of DIALIGN by up to 97%. Conclusions By distributing sub-routines to multiple processors, the running time of DIALIGN can be crucially improved. With these improvements, it is possible to apply the program in large-scale genomics and proteomics projects that were previously beyond its scope.

"Hot cores" in proteins: Comparative analysis of the apolar contact area in structures from hyper/thermophilic and mesophilic organisms

Directory of Open Access Journals (Sweden)

Bossa Francesco

2008-02-01

Full Text Available Abstract Background A wide variety of stabilizing factors have been invoked so far to elucidate the structural basis of protein thermostability. These include, amongst the others, a higher number of ion-pairs interactions and hydrogen bonds, together with a better packing of hydrophobic residues. It has been frequently observed that packing of hydrophobic side chains is improved in hyperthermophilic proteins, when compared to their mesophilic counterparts. In this work, protein crystal structures from hyper/thermophilic organisms and their mesophilic homologs have been compared, in order to quantify the difference of apolar contact area and to assess the role played by the hydrophobic contacts in the stabilization of the protein core, at high temperatures. Results The construction of two datasets was carried out so as to satisfy several restrictive criteria, such as minimum redundancy, resolution and R-value thresholds and lack of any structural defect in the collected structures. This approach allowed to quantify with relatively high precision the apolar contact area between interacting residues, reducing the uncertainty due to the position of atoms in the crystal structures, the redundancy of data and the size of the dataset. To identify the common core regions of these proteins, the study was focused on segments that conserve a similar main chain conformation in the structures analyzed, excluding the intervening regions whose structure differs markedly. The results indicated that hyperthermophilic proteins underwent a significant increase of the hydrophobic contact area contributed by those residues composing the alpha-helices of the structurally conserved regions. Conclusion This study indicates the decreased flexibility of alpha-helices in proteins core as a major factor contributing to the enhanced termostability of a number of hyperthermophilic proteins. This effect, in turn, may be due to an increased number of buried methyl groups in

Evaluation of anti-tuberculosis antibodies in healthy contact and non-contacts persons

International Nuclear Information System (INIS)

Aziz, N; Bukhari, M.H; Muneer, M; Tayyab, M; Chaudhry, N.A.

2006-01-01

This study was conducted to see the presence of the antimycobacterial antibodies in healthy household contacts of tuberculosis patients and healthy normal subjects who have never been in contact with tuberculosis patients. A total of 200 subjects, 120 with history of household contact and 80 without such history were included in the study. Routine Haematological investigations were performed and all the sera of 200 subjects were tested who 19M, 19G and IgA anti tuberculosis antibodies using ELISA technique. There was no difference in the average age of the household contacts and non-contacts. The complaints of pyrexia, night sweats and loss of weight was more in house hold contacts as compared to non-contacts. The awareness about BCG vaccination was equal among the household contacts and non-contacts. The combined serological positivity of the household contacts was 65.8% and the combined serological positivity for non-contacts was 34.1%. There was no statistically significant difference in the presence of 19M among household contacts as compared to non-contacts. However both IgG and 19A were present in significantly higher number of household contacts as compared to non contacts. This study concludes that the persons living in the house with a patient suffering from active pulmonary tuberculosis (household contact) have more chances of being infected with Mycobacterium tuberculosis as compared to the healthy non-contacts. (author)

Energetic frustrations in protein folding at residue resolution: a homologous simulation study of Im9 proteins.

Directory of Open Access Journals (Sweden)

Yunxiang Sun

Full Text Available Energetic frustration is becoming an important topic for understanding the mechanisms of protein folding, which is a long-standing big biological problem usually investigated by the free energy landscape theory. Despite the significant advances in probing the effects of folding frustrations on the overall features of protein folding pathways and folding intermediates, detailed characterizations of folding frustrations at an atomic or residue level are still lacking. In addition, how and to what extent folding frustrations interact with protein topology in determining folding mechanisms remains unclear. In this paper, we tried to understand energetic frustrations in the context of protein topology structures or native-contact networks by comparing the energetic frustrations of five homologous Im9 alpha-helix proteins that share very similar topology structures but have a single hydrophilic-to-hydrophobic mutual mutation. The folding simulations were performed using a coarse-grained Gō-like model, while non-native hydrophobic interactions were introduced as energetic frustrations using a Lennard-Jones potential function. Energetic frustrations were then examined at residue level based on φ-value analyses of the transition state ensemble structures and mapped back to native-contact networks. Our calculations show that energetic frustrations have highly heterogeneous influences on the folding of the four helices of the examined structures depending on the local environment of the frustration centers. Also, the closer the introduced frustration is to the center of the native-contact network, the larger the changes in the protein folding. Our findings add a new dimension to the understanding of protein folding the topology determination in that energetic frustrations works closely with native-contact networks to affect the protein folding.

Contact Lens Care

Science.gov (United States)

... Consumers Consumer Information by Audience For Women Contact Lens Care Share Tweet Linkedin Pin it More sharing ... www.fda.gov/medwatch Learn More about Contact Lens Care Other Tips on Contact Lenses Decorative Contact ...

Determination of Pesticide Dermal Transfer to Operators & Agricultural Workers through Contact with Sprayed Hard Surfaces.

Science.gov (United States)

Tsakirakis, Angelos N; Kasiotis, Konstantinos M; Anastasiadou, Pelagia; Charistou, Agathi N; Gerritsen-Ebben, Rianda; Glass, C Richard; Machera, Kyriaki

2018-05-20

In the present study, the dermal transfer rate of pesticides to agricultural workers occurring via contact with sprayed hard surfaces was investigated. Cotton gloves were used as dosimeters to collect residues from hard surfaces contaminated by pesticides in greenhouses. Dosimeters, either dry or moistened, were in contact with wood, metal and plastic surfaces previously sprayed. The experimental approach applied mimicked the typical hand contact. Moistened cotton gloves were used to simulate hand moisture from dew/condensation or rainfall. The effect of total duration of contact on the final hand exposure via transfer was investigated. The higher duration contact tested (50-sec) resulted in the higher transfer rates for metal and plastic surfaces; no such effect was noted in case of the wood surface. The pesticide amount transferred from the metal and plastic surfaces to wet gloves was greater than the one transferred to dry gloves. Such trend was not observed for the wood surface. Transfer rates varied from 0.46-77.62% and 0.17-16.90% for wet and dry samples, respectively. The current study has generated new data to quantify the proportion of pesticide deposits dislodged from three different non-crop surfaces when in contact with dry or wet gloves. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Synchronization of pairwise-coupled, identical, relaxation oscillators based on metal-insulator phase transition devices: A model study

Science.gov (United States)

Parihar, Abhinav; Shukla, Nikhil; Datta, Suman; Raychowdhury, Arijit

2015-02-01

Computing with networks of synchronous oscillators has attracted wide-spread attention as novel materials and device topologies have enabled realization of compact, scalable and low-power coupled oscillatory systems. Of particular interest are compact and low-power relaxation oscillators that have been recently demonstrated using MIT (metal-insulator-transition) devices using properties of correlated oxides. Further the computational capability of pairwise coupled relaxation oscillators has also been shown to outperform traditional Boolean digital logic circuits. This paper presents an analysis of the dynamics and synchronization of a system of two such identical coupled relaxation oscillators implemented with MIT devices. We focus on two implementations of the oscillator: (a) a D-D configuration where complementary MIT devices (D) are connected in series to provide oscillations and (b) a D-R configuration where it is composed of a resistor (R) in series with a voltage-triggered state changing MIT device (D). The MIT device acts like a hysteresis resistor with different resistances in the two different states. The synchronization dynamics of such a system has been analyzed with purely charge based coupling using a resistive (RC) and a capacitive (CC) element in parallel. It is shown that in a D-D configuration symmetric, identical and capacitively coupled relaxation oscillator system synchronizes to an anti-phase locking state, whereas when coupled resistively the system locks in phase. Further, we demonstrate that for certain range of values of RC and CC, a bistable system is possible which can have potential applications in associative computing. In D-R configuration, we demonstrate the existence of rich dynamics including non-monotonic flows and complex phase relationship governed by the ratios of the coupling impedance. Finally, the developed theoretical formulations have been shown to explain experimentally measured waveforms of such pairwise coupled

Prediction of microsleeps using pairwise joint entropy and mutual information between EEG channels.

Science.gov (United States)

Baseer, Abdul; Weddell, Stephen J; Jones, Richard D

2017-07-01

Microsleeps are involuntary and brief instances of complete loss of responsiveness, typically of 0.5-15 s duration. They adversely affect performance in extended attention-driven jobs and can be fatal. Our aim was to predict microsleeps from 16 channel EEG signals. Two information theoretic concepts - pairwise joint entropy and mutual information - were independently used to continuously extract features from EEG signals. k-nearest neighbor (kNN) with k = 3 was used to calculate both joint entropy and mutual information. Highly correlated features were discarded and the rest were ranked using Fisher score followed by an average of 3-fold cross-validation area under the curve of the receiver operating characteristic (AUC ROC ). Leave-one-out method (LOOM) was performed to test the performance of microsleep prediction system on independent data. The best prediction for 0.25 s ahead was AUCROC, sensitivity, precision, geometric mean (GM), and φ of 0.93, 0.68, 0.33, 0.75, and 0.38 respectively with joint entropy using single linear discriminant analysis (LDA) classifier.

Insect Residue Contamination on Wing Leading Edge Surfaces: A Materials Investigation for Mitigation

Science.gov (United States)

Lorenzi, Tyler M.; Wohl, Christopher J.; Penner, Ronald K.; Smith, Joseph G.; Siochi, Emilie J.

2011-01-01

Flight tests have shown that residue from insect strikes on aircraft wing leading edge surfaces may induce localized transition of laminar to turbulent flow. The highest density of insect populations have been observed between ground level and 153 m during light winds (2.6 -- 5.1 m/s), high humidity, and temperatures from 21 -- 29 C. At a critical residue height, dependent on the airfoil and Reynolds number, boundary layer transition from laminar to turbulent results in increased drag and fuel consumption. Although this represents a minimal increase in fuel burn for conventional transport aircraft, future aircraft designs will rely on maintaining laminar flow across a larger portion of wing surfaces to reduce fuel burn during cruise. Thus, insect residue adhesion mitigation is most critical during takeoff and initial climb to maintain laminar flow in fuel-efficient aircraft configurations. Several exterior treatments investigated to mitigate insect residue buildup (e.g., paper, scrapers, surfactants, flexible surfaces) have shown potential; however, implementation has proven to be impractical. Current research is focused on evaluation of wing leading edge surface coatings that may reduce insect residue adhesion. Initial work under NASA's Environmentally Responsible Aviation Program focused on evaluation of several commercially available products (commercial off-the-shelf, COTS), polymers, and substituted alkoxy silanes that were applied to aluminum (Al) substrates. Surface energies of these coatings were determined from contact angle data and were correlated to residual insect excrescence on coated aluminum substrates using a custom-built "bug gun." Quantification of insect excrescence surface coverage was evaluated by a series of digital photographic image processing techniques.

Conserved residues of the human mitochondrial holocytochrome c synthase mediate interactions with heme.

Science.gov (United States)

Babbitt, Shalon E; San Francisco, Brian; Bretsnyder, Eric C; Kranz, Robert G

2014-08-19

C-type cytochromes are distinguished by the covalent attachment of a heme cofactor, a modification that is typically required for its subsequent folding, stability, and function. Heme attachment takes place in the mitochondrial intermembrane space and, in most eukaryotes, is mediated by holocytochrome c synthase (HCCS). HCCS is the primary component of the eukaryotic cytochrome c biogenesis pathway, known as System III. The catalytic function of HCCS depends on its ability to coordinate interactions between its substrates: heme and cytochrome c. Recent advancements in the recombinant expression and purification of HCCS have facilitated comprehensive analyses of the roles of conserved residues in HCCS, as demonstrated in this study. Previously, we proposed a four-step model describing HCCS-mediated cytochrome c assembly, identifying a conserved histidine residue (His154) as an axial ligand to the heme iron. In this study, we performed a systematic mutational analysis of 17 conserved residues in HCCS, and we provide evidence that the enzyme contains two heme-binding domains. Our data indicate that heme contacts mediated by residues within these domains modulate the dynamics of heme binding and contribute to the stability of the HCCS-heme-cytochrome c steady state ternary complex. While some residues are essential for initial heme binding (step 1), others impact the subsequent release of the holocytochrome c product (step 4). Certain HCCS mutants that were defective in heme binding were corrected for function by exogenous aminolevulinic acid (ALA, the precursor to heme). This chemical "correction" supports the proposed role of heme binding for the corresponding residues.

Solution to urn models of pairwise interaction with application to social, physical, and biological sciences

Science.gov (United States)

Pickering, William; Lim, Chjan

2017-07-01

We investigate a family of urn models that correspond to one-dimensional random walks with quadratic transition probabilities that have highly diverse applications. Well-known instances of these two-urn models are the Ehrenfest model of molecular diffusion, the voter model of social influence, and the Moran model of population genetics. We also provide a generating function method for diagonalizing the corresponding transition matrix that is valid if and only if the underlying mean density satisfies a linear differential equation and express the eigenvector components as terms of ordinary hypergeometric functions. The nature of the models lead to a natural extension to interaction between agents in a general network topology. We analyze the dynamics on uncorrelated heterogeneous degree sequence networks and relate the convergence times to the moments of the degree sequences for various pairwise interaction mechanisms.

Pesticide Residues on Three Cut Flower Species and Potential Exposure of Florists in Belgium

Directory of Open Access Journals (Sweden)

Khaoula Toumi

2016-09-01

survey that, despite being exposed to high deposits of residues, florists usually do not protect themselves from contact with residues even if they spend several hours handling cut flowers and preparing bouquets (from 2 to 6 h/day, depending on the time of year and/or selling periods daily. Bad habits (eating, drinking, or smoking at work and absence of personal protective equipment of most florists also increase the risk of contact with pesticide residues.

Apparent contact angle and contact angle hysteresis on liquid infused surfaces.

Science.gov (United States)

Semprebon, Ciro; McHale, Glen; Kusumaatmaja, Halim

2016-12-21

We theoretically investigate the apparent contact angle and contact angle hysteresis of a droplet placed on a liquid infused surface. We show that the apparent contact angle is not uniquely defined by material parameters, but also has a dependence on the relative size between the droplet and its surrounding wetting ridge formed by the infusing liquid. We derive a closed form expression for the contact angle in the limit of vanishing wetting ridge, and compute the correction for small but finite ridge, which corresponds to an effective line tension term. We also predict contact angle hysteresis on liquid infused surfaces generated by the pinning of the contact lines by the surface corrugations. Our analytical expressions for both the apparent contact angle and contact angle hysteresis can be interpreted as 'weighted sums' between the contact angles of the infusing liquid relative to the droplet and surrounding gas phases, where the weighting coefficients are given by ratios of the fluid surface tensions.

The MARS15-based FermiCORD code system for calculation of the accelerator-induced residual dose

Science.gov (United States)

Grebe, A.; Leveling, A.; Lu, T.; Mokhov, N.; Pronskikh, V.

2018-01-01

The FermiCORD code system, a set of codes based on MARS15 that calculates the accelerator-induced residual doses at experimental facilities of arbitrary configurations, has been developed. FermiCORD is written in C++ as an add-on to Fortran-based MARS15. The FermiCORD algorithm consists of two stages: 1) simulation of residual doses on contact with the surfaces surrounding the studied location and of radionuclide inventories in the structures surrounding those locations using MARS15, and 2) simulation of the emission of the nuclear decay γ-quanta by the residuals in the activated structures and scoring the prompt doses of these γ-quanta at arbitrary distances from those structures. The FermiCORD code system has been benchmarked against similar algorithms based on other code systems and against experimental data from the CERF facility at CERN, and FermiCORD showed reasonable agreement with these. The code system has been applied for calculation of the residual dose of the target station for the Mu2e experiment and the results have been compared to approximate dosimetric approaches.

Recovery of plutonium from insulation, scrap glass, and sand-slag residues

International Nuclear Information System (INIS)

Ziegler, D.L.; Garnett, J.E.; Fraser, J.K.

1979-01-01

Laboratory experiments were performed to evaluate methods for removing plutonium from insulation, glass leach heel, and sand and slag heel. The methods evaluated included hydrochloric acid leaching, nitric acid leaching, and a treatment consisting of a fusion step followed by acid leaching. Results indicate that a nitric acid leach is effective in lowering the plutonium concentration of these solid wastes to the desired limit, if multiple contacts are used. A hydrochloric acid leach was found to be superior to a nitric acid leach for removing plutonium from the residues

Evaluation of metal–nanowire electrical contacts by measuring contact end resistance

International Nuclear Information System (INIS)

Park, Hongsik; Beresford, Roderic; Xu, Jimmy; Ha, Ryong; Choi, Heon-Jin; Shin, Hyunjung

2012-01-01

It is known, but often unappreciated, that the performance of nanowire (NW)-based electrical devices can be significantly affected by electrical contacts between electrodes and NWs, sometimes to the extent that it is really the contacts that determine the performance. To correctly understand and design NW device operation, it is thus important to carefully measure the contact resistance and evaluate the contact parameters, specific contact resistance and transfer length. A four-terminal pattern or a transmission line model (TLM) pattern has been widely used to measure contact resistance of NW devices and the TLM has been typically used to extract contact parameters of NW devices. However, the conventional method assumes that the electrical properties of semiconducting NW regions covered by a metal are not changed after electrode formation. In this study, we report that the conventional methods for contact evaluation can give rise to considerable errors because of an altered property of the NW under the electrodes. We demonstrate that more correct contact resistance can be measured from the TLM pattern rather than the four-terminal pattern and correct contact parameters including the effects of changed NW properties under electrodes can be evaluated by using the contact end resistance measurement method. (paper)

AcconPred: Predicting Solvent Accessibility and Contact Number Simultaneously by a Multitask Learning Framework under the Conditional Neural Fields Model

Directory of Open Access Journals (Sweden)

Jianzhu Ma

2015-01-01

Full Text Available Motivation. The solvent accessibility of protein residues is one of the driving forces of protein folding, while the contact number of protein residues limits the possibilities of protein conformations. The de novo prediction of these properties from protein sequence is important for the study of protein structure and function. Although these two properties are certainly related with each other, it is challenging to exploit this dependency for the prediction. Method. We present a method AcconPred for predicting solvent accessibility and contact number simultaneously, which is based on a shared weight multitask learning framework under the CNF (conditional neural fields model. The multitask learning framework on a collection of related tasks provides more accurate prediction than the framework trained only on a single task. The CNF method not only models the complex relationship between the input features and the predicted labels, but also exploits the interdependency among adjacent labels. Results. Trained on 5729 monomeric soluble globular protein datasets, AcconPred could reach 0.68 three-state accuracy for solvent accessibility and 0.75 correlation for contact number. Tested on the 105 CASP11 domain datasets for solvent accessibility, AcconPred could reach 0.64 accuracy, which outperforms existing methods.

BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures

Science.gov (United States)

Sarti, E.; Zamuner, S.; Cossio, P.; Laio, A.; Seno, F.; Trovato, A.

2013-12-01

In protein structure prediction it is of crucial importance, especially at the refinement stage, to score efficiently large sets of models by selecting the ones that are closest to the native state. We here present a new computational tool, BACHSCORE, that allows its users to rank different structural models of the same protein according to their quality, evaluated by using the BACH++ (Bayesian Analysis Conformation Hunt) scoring function. The original BACH statistical potential was already shown to discriminate with very good reliability the protein native state in large sets of misfolded models of the same protein. BACH++ features a novel upgrade in the solvation potential of the scoring function, now computed by adapting the LCPO (Linear Combination of Pairwise Orbitals) algorithm. This change further enhances the already good performance of the scoring function. BACHSCORE can be accessed directly through the web server: bachserver.pd.infn.it. Catalogue identifier: AEQD_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEQD_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 130159 No. of bytes in distributed program, including test data, etc.: 24 687 455 Distribution format: tar.gz Programming language: C++. Computer: Any computer capable of running an executable produced by a g++ compiler (4.6.3 version). Operating system: Linux, Unix OS-es. RAM: 1 073 741 824 bytes Classification: 3. Nature of problem: Evaluate the quality of a protein structural model, taking into account the possible “a priori” knowledge of a reference primary sequence that may be different from the amino-acid sequence of the model; the native protein structure should be recognized as the best model. Solution method: The contact potential scores the occurrence of any given type of residue pair in 5 possible

Contextualizing Intergroup Contact: Do Political Party Cues Enhance Contact Effects?

DEFF Research Database (Denmark)

Sønderskov, Kim Mannemar; Thomsen, Jens Peter Frølund

2015-01-01

This article examines intergroup contact effects in different political contexts. We expand on previous efforts of social psychologists by incorporating the messages of political parties as a contextual trigger of group membership awareness in contact situations. We argue that the focus among...... political parties on us-them categorizations heightens the awareness of group memberships. This focus in turn enhances the positive intergroup contact effect by stimulating majority members to perceive contacted persons as prototypical outgroup members. A multilevel analysis of 22 countries and almost 37......,000 individuals confirms that the ability of intergroup contact to reduce antiforeigner sentiment increases when political parties focus intensively on immigration issues and cultural differences. Specifically, both workplace contact and interethnic friendship become more effective in reducing antiforeigner...

Effects of hydrated lime on radionuclides stabilization of Hanford tank residual waste.

Science.gov (United States)

Wang, Guohui; Um, Wooyong; Cantrell, Kirk J; Snyder, Michelle M V; Bowden, Mark E; Triplett, Mark B; Buck, Edgar C

2017-10-01

Chemical stabilization of tank residual waste is part of a Hanford Site tank closure strategy to reduce overall risk levels to human health and the environment. In this study, a set of column leaching experiments using tank C-104 residual waste were conducted to evaluate the leachability of uranium (U) and technetium (Tc) where grout and hydrated lime were applied as chemical stabilizing agents. The experiments were designed to simulate future scenarios where meteoric water infiltrates through the vadose zones into the interior of the tank filled with layers of grout or hydrated lime, and then contacts the residual waste. Effluent concentrations of U and Tc were monitored and compared among three different packing columns (waste only, waste + grout, and waste + grout + hydrated lime). Geochemical modeling of the effluent compositions was conducted to determine saturation indices of uranium solid phases that could control the solubility of uranium. The results indicate that addition of hydrated lime strongly stabilized the uranium through transforming uranium to a highly insoluble calcium uranate (CaUO 4 ) or similar phase, whereas no significant stabilization effect of grout or hydrated lime was observed on Tc leachability. The result implies that hydrated lime could be a great candidate for stabilizing Hanford tank residual wastes where uranium is one of the main concerns. Published by Elsevier Ltd.

75 FR 78240 - Notice of Receipt of Several Pesticide Petitions Filed for Residues of Pesticide Chemicals in or...

Science.gov (United States)

2010-12-15

... soybean field trials. Contact: James M. Stone, (703) 305-7391; e-mail address: stone[email protected] . 5. PP... residues of the herbicide fluazifop-p- butyl, butyl(R)-2-[4-[[5-(trifluoromethyl)-2- pyridinyl]oxy]phenoxy]propanoate, and the free and conjugated forms of the resolved isomer of fluazifop, (R)-2-[4-[[5...

Orientation-dependent backbone-only residue pair scoring functions for fixed backbone protein design

Directory of Open Access Journals (Sweden)

Bordner Andrew J

2010-04-01

Full Text Available Abstract Background Empirical scoring functions have proven useful in protein structure modeling. Most such scoring functions depend on protein side chain conformations. However, backbone-only scoring functions do not require computationally intensive structure optimization and so are well suited to protein design, which requires fast score evaluation. Furthermore, scoring functions that account for the distinctive relative position and orientation preferences of residue pairs are expected to be more accurate than those that depend only on the separation distance. Results Residue pair scoring functions for fixed backbone protein design were derived using only backbone geometry. Unlike previous studies that used spherical harmonics to fit 2D angular distributions, Gaussian Mixture Models were used to fit the full 3D (position only and 6D (position and orientation distributions of residue pairs. The performance of the 1D (residue separation only, 3D, and 6D scoring functions were compared by their ability to identify correct threading solutions for a non-redundant benchmark set of protein backbone structures. The threading accuracy was found to steadily increase with increasing dimension, with the 6D scoring function achieving the highest accuracy. Furthermore, the 3D and 6D scoring functions were shown to outperform side chain-dependent empirical potentials from three other studies. Next, two computational methods that take advantage of the speed and pairwise form of these new backbone-only scoring functions were investigated. The first is a procedure that exploits available sequence data by averaging scores over threading solutions for homologs. This was evaluated by applying it to the challenging problem of identifying interacting transmembrane alpha-helices and found to further improve prediction accuracy. The second is a protein design method for determining the optimal sequence for a backbone structure by applying Belief Propagation

Relationships between residue Voronoi volume and sequence conservation in proteins.

Science.gov (United States)

Liu, Jen-Wei; Cheng, Chih-Wen; Lin, Yu-Feng; Chen, Shao-Yu; Hwang, Jenn-Kang; Yen, Shih-Chung

2018-02-01

Functional and biophysical constraints can cause different levels of sequence conservation in proteins. Previously, structural properties, e.g., relative solvent accessibility (RSA) and packing density of the weighted contact number (WCN), have been found to be related to protein sequence conservation (CS). The Voronoi volume has recently been recognized as a new structural property of the local protein structural environment reflecting CS. However, for surface residues, it is sensitive to water molecules surrounding the protein structure. Herein, we present a simple structural determinant termed the relative space of Voronoi volume (RSV); it uses the Voronoi volume and the van der Waals volume of particular residues to quantify the local structural environment. RSV (range, 0-1) is defined as (Voronoi volume-van der Waals volume)/Voronoi volume of the target residue. The concept of RSV describes the extent of available space for every protein residue. RSV and Voronoi profiles with and without water molecules (RSVw, RSV, VOw, and VO) were compared for 554 non-homologous proteins. RSV (without water) showed better Pearson's correlations with CS than did RSVw, VO, or VOw values. The mean correlation coefficient between RSV and CS was 0.51, which is comparable to the correlation between RSA and CS (0.49) and that between WCN and CS (0.56). RSV is a robust structural descriptor with and without water molecules and can quantitatively reflect evolutionary information in a single protein structure. Therefore, it may represent a practical structural determinant to study protein sequence, structure, and function relationships. Copyright © 2017 Elsevier B.V. All rights reserved.

Measuring contact area in a sliding human finger-pad contact.

Science.gov (United States)

Liu, X; Carré, M J; Zhang, Q; Lu, Z; Matcher, S J; Lewis, R

2018-02-01

The work outlined in this paper was aimed at achieving further understanding of skin frictional behaviour by investigating the contact area between human finger-pads and flat surfaces. Both the static and the dynamic contact areas (in macro- and micro-scales) were measured using various techniques, including ink printing, optical coherence tomography (OCT) and Digital Image Correlation (DIC). In the studies of the static measurements using ink printing, the experimental results showed that the apparent and the real contact area increased with load following a piecewise linear correlation function for a finger-pad in contact with paper sheets. Comparisons indicated that the OCT method is a reliable and effective method to investigate the real contact area of a finger-pad and allow micro-scale analysis. The apparent contact area (from the DIC measurements) was found to reduce with time in the transition from the static phase to the dynamic phase while the real area of contact (from OCT) increased. The results from this study enable the interaction between finger-pads and contact object surface to be better analysed, and hence improve the understanding of skin friction. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Enthalpic pairwise self-association of L-carnitine in aqueous solutions of some alkali halides at T = 298.15 K

International Nuclear Information System (INIS)

Wang, Hua-Qin; Cheng, Wei-Na; Zhu, Li-Yuan; Hu, Xin-Gen

2016-01-01

Highlights: • Dilution enthalpies of L-carnitine in aqueous alkali halide solutions by ITC. • The second virial coefficients of enthalpy (h_2) have been calculated. • The values of h_2 increase with increasing molalities of aqueous salt solutions. • The signs of h_2 turn from negative in pure water to positive in salt solutions. • The trends is ascribed to the salt effects on pairwise self-associations. - Abstract: Knowledge of the influence of ions of various nature on intermolecular hydrophilic and hydrophobic interactions in solutions is required in many research fields. In this paper, dilution enthalpies of zwitterion L-carnitine in aqueous NaCl, KCl and NaBr solutions of various molalities (b = 0 to 3.0 mol · kg"−"1) have been determined respectively at T = (298.15 ± 0.01) K and p = (0.100 ± 0.005) MPa by isothermal titration calorimetry (ITC). In light of the MacMillan–Mayer theory, the 2nd virial enthalpic coefficients (h_2) have been calculated. The h_2 coefficients increase gradually with increasing molality (b) of the three aqueous alkali halides solutions, from small negative values in pure water to relatively larger positive values in solution. The trends of h_2 coefficients are ascribed to the salt effects on the balance between hydrophilic and hydrophobic interactions in pairwise self-associations. It is considered that the size of cations and anions exert influences on h_2 coefficients through their surface charge densities and hydration (or dehydration) abilities.

BETASCAN: probable beta-amyloids identified by pairwise probabilistic analysis.

Directory of Open Access Journals (Sweden)

Allen W Bryan

2009-03-01

Full Text Available Amyloids and prion proteins are clinically and biologically important beta-structures, whose supersecondary structures are difficult to determine by standard experimental or computational means. In addition, significant conformational heterogeneity is known or suspected to exist in many amyloid fibrils. Recent work has indicated the utility of pairwise probabilistic statistics in beta-structure prediction. We develop here a new strategy for beta-structure prediction, emphasizing the determination of beta-strands and pairs of beta-strands as fundamental units of beta-structure. Our program, BETASCAN, calculates likelihood scores for potential beta-strands and strand-pairs based on correlations observed in parallel beta-sheets. The program then determines the strands and pairs with the greatest local likelihood for all of the sequence's potential beta-structures. BETASCAN suggests multiple alternate folding patterns and assigns relative a priori probabilities based solely on amino acid sequence, probability tables, and pre-chosen parameters. The algorithm compares favorably with the results of previous algorithms (BETAPRO, PASTA, SALSA, TANGO, and Zyggregator in beta-structure prediction and amyloid propensity prediction. Accurate prediction is demonstrated for experimentally determined amyloid beta-structures, for a set of known beta-aggregates, and for the parallel beta-strands of beta-helices, amyloid-like globular proteins. BETASCAN is able both to detect beta-strands with higher sensitivity and to detect the edges of beta-strands in a richly beta-like sequence. For two proteins (Abeta and Het-s, there exist multiple sets of experimental data implying contradictory structures; BETASCAN is able to detect each competing structure as a potential structure variant. The ability to correlate multiple alternate beta-structures to experiment opens the possibility of computational investigation of prion strains and structural heterogeneity of amyloid

Electric contact arcing

International Nuclear Information System (INIS)

Cuthrell, R.E.

1976-01-01

Electrical contacts must function properly in many types of components used in nuclear weapon systems. Design, application, and testing of these components require detailed knowledge of chemical and physical phenomena associated with stockpile storage, stockpile testing, and operation. In the past, investigation of these phenomena has led to significant discoveries on the effects of surface contaminants, friction and wear, and the mechanics of closure on contact performance. A recent investigation of contact arcing phenomena which revealed that, preceding contact closure, arcs may occur at voltages lower than had been previously known is described. This discovery is important, since arcing may damage contacts, and repetitive testing of contacts performed as part of a quality assurance program might produce cumulative damage that would yield misleading life-test data and could prevent proper operation of the contacts at some time in the future. This damage can be avoided by determining the conditions under which arcing occurs, and ensuring that these conditions are avoided in contact testing

Minimizing residues and strain in 2D materials transferred from PDMS

Science.gov (United States)

Jain, Achint; Bharadwaj, Palash; Heeg, Sebastian; Parzefall, Markus; Taniguchi, Takashi; Watanabe, Kenji; Novotny, Lukas

2018-06-01

Integrating layered two-dimensional (2D) materials into 3D heterostructures offers opportunities for novel material functionalities and applications in electronics and photonics. In order to build the highest quality heterostructures, it is crucial to preserve the cleanliness and morphology of 2D material surfaces that come in contact with polymers such as PDMS during transfer. Here we report that substantial residues and up to ∼0.22% compressive strain can be present in monolayer MoS2 transferred using PDMS. We show that a UV-ozone pre-cleaning of the PDMS surface before exfoliation significantly reduces organic residues on transferred MoS2 flakes. An additional 200 ◦C vacuum anneal after transfer efficiently removes interfacial bubbles and wrinkles as well as accumulated strain, thereby restoring the surface morphology of transferred flakes to their native state. Our recipe is important for building clean heterostructures of 2D materials and increasing the reproducibility and reliability of devices based on them.

Personality traits and career choices among physicians in Finland: employment sector, clinical patient contact, specialty and change of specialty.

Science.gov (United States)

Mullola, Sari; Hakulinen, Christian; Presseau, Justin; Gimeno Ruiz de Porras, David; Jokela, Markus; Hintsa, Taina; Elovainio, Marko

2018-03-27

Personality influences an individual's adaptation to a specific job or organization. Little is known about personality trait differences between medical career and specialty choices after graduating from medical school when actually practicing different medical specialties. Moreover, whether personality traits contribute to important career choices such as choosing to work in the private or public sector or with clinical patient contact, as well as change of specialty, have remained largely unexplored. In a nationally representative sample of Finnish physicians (N = 2837) we examined how personality traits are associated with medical career choices after graduating from medical school, in terms of employment sector, patient contact, medical specialty and change of specialty. Personality was assessed using the shortened version of the Big Five Inventory (S-BFI). An analysis of covariance with posthoc tests for pairwise comparisons was conducted, adjusted for gender and age with confounders (employment sector, clinical patient contact and medical specialty). Higher openness was associated with working in the private sector, specializing in psychiatry, changing specialty and not practicing with patients. Lower openness was associated with a high amount of patient contact and specializing in general practice as well as ophthalmology and otorhinolaryngology. Higher conscientiousness was associated with a high amount of patient contact and specializing in surgery and other internal medicine specialties. Lower conscientiousness was associated with specializing in psychiatry and hospital service specialties. Higher agreeableness was associated with working in the private sector and specializing in general practice and occupational health. Lower agreeableness and neuroticism were associated with specializing in surgery. Higher extraversion was associated with specializing in pediatrics and change of specialty. Lower extraversion was associated with not practicing with

Pairwise structure alignment specifically tuned for surface pockets and interaction interfaces

KAUST Repository

Cui, Xuefeng; Naveed, Hammad; Gao, Xin

2015-01-01

that are not limited to backbone fragments, and by employing a maximum weighted bipartite matching solver from the beginning of the alignment process. In addition, our methods incorporate similarities of sequentially and structurally remote residues that potentially

Allergic Contact Dermatitis

Directory of Open Access Journals (Sweden)

Meltem Önder

2009-03-01

Full Text Available Allergic contact dermatitis is the delayed type hypersensitivity reaction to exogenous agents. Allergic contact dermatitis may clinically present acutely after allergen exposure and initial sensitization in a previously sensitized individual. Acute phase is characterized by erythematous, scaly plaques. In severe cases vesiculation and bullae in exposed areas are very characteristic. Repeated or continuous exposure of sensitized individual with allergen result in chronic dermatitis. Lichenification, erythematous plaques, hyperkeratosis and fissuring may develop in chronic patients. Allergic contact dermatitis is very common dermatologic problem in dermatology daily practice. A diagnosis of contact dermatitis requires the careful consideration of patient history, physical examination and patch testing. The knowledge of the clinical features of the skin reactions to various contactans is important to make a correct diagnosis of contact dermatitis. It can be seen in every age, in children textile product, accessories and touch products are common allergens, while in adults allergic contact dermatitis may be related with topical medicaments. The contact pattern of contact dermatitis depends on fashion and local traditions as well. The localization of allergic reaction should be evaluated and patients’ occupation and hobbies should be asked. The purpose of this review is to introduce to our collaques up dated allergic contact dermatitis literatures both in Turkey and in the World.

On the electrical contact and long-term behavior of compression-type connections with conventional and high-temperature conductor ropes with low sag; Zum elektrischen Kontakt- und Langzeitverhalten von Pressverbindungen mit konventionellen und Hochtemperatur-Leiterseilen mit geringem Durchhang

Energy Technology Data Exchange (ETDEWEB)

Hildmann, Christian

2016-12-09

of hexagonal compression connections with stranded overhead transmission line conductors was calculated with the finite element method. The compression forces and the residual contact forces were determined for all contacts between barrel and conductor as well as between the wires of the conductor. It was shown, that high compression and residual contact forces are the main cause of good electrical contact behaviour. The physical relations are discussed. The electrical long-term behaviour was furthermore investigated in experiments. The results confirm the influence of the residual contact force on the long-term behaviour qualitatively. Those compression connections, which had only small residual contact forces, were less stable in the long-term tests.

Evaluation of advanced multiplex short tandem repeat systems in pairwise kinship analysis.

Science.gov (United States)

Tamura, Tomonori; Osawa, Motoki; Ochiai, Eriko; Suzuki, Takanori; Nakamura, Takashi

2015-09-01

The AmpFLSTR Identifiler Kit, comprising 15 autosomal short tandem repeat (STR) loci, is commonly employed in forensic practice for calculating match probabilities and parentage testing. The conventional system exhibits insufficient estimation for kinship analysis such as sibship testing because of shortness of examined loci. This study evaluated the power of the PowerPlex Fusion System, GlobalFiler Kit, and PowerPlex 21 System, which comprise more than 20 autosomal STR loci, to estimate pairwise blood relatedness (i.e., parent-child, full siblings, second-degree relatives, and first cousins). The genotypes of all 24 STR loci in 10,000 putative pedigrees were constructed by simulation. The likelihood ratio for each locus was calculated from joint probabilities for relatives and non-relatives. The combined likelihood ratio was calculated according to the product rule. The addition of STR loci improved separation between relatives and non-relatives. However, these systems were less effectively extended to the inference for first cousins. In conclusion, these advanced systems will be useful in forensic personal identification, especially in the evaluation of full siblings and second-degree relatives. Moreover, the additional loci may give rise to two major issues of more frequent mutational events and several pairs of linked loci on the same chromosome. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

A survey of residual analysis and a new test of residual trend.

Science.gov (United States)

McDowell, J J; Calvin, Olivia L; Klapes, Bryan

2016-05-01

A survey of residual analysis in behavior-analytic research reveals that existing methods are problematic in one way or another. A new test for residual trends is proposed that avoids the problematic features of the existing methods. It entails fitting cubic polynomials to sets of residuals and comparing their effect sizes to those that would be expected if the sets of residuals were random. To this end, sampling distributions of effect sizes for fits of a cubic polynomial to random data were obtained by generating sets of random standardized residuals of various sizes, n. A cubic polynomial was then fitted to each set of residuals and its effect size was calculated. This yielded a sampling distribution of effect sizes for each n. To test for a residual trend in experimental data, the median effect size of cubic-polynomial fits to sets of experimental residuals can be compared to the median of the corresponding sampling distribution of effect sizes for random residuals using a sign test. An example from the literature, which entailed comparing mathematical and computational models of continuous choice, is used to illustrate the utility of the test. © 2016 Society for the Experimental Analysis of Behavior.

Experimental investigation on the electrical contact behavior of rolling contact connector

Energy Technology Data Exchange (ETDEWEB)

Chen, Junxing; Yang, Fei, E-mail: yfei2007@mail.xjtu.edu.cn; Luo, Kaiyu; Zhu, Mingliang; Wu, Yi; Rong, Mingzhe [State Key Laboratory of Electrical Insulation and Power Equipment, Xi’an Jiaotong University, Xi’an 710049 (China)

2015-12-15

Rolling contact connector (RCC) is a new technology utilized in high performance electric power transfer systems with one or more rotating interfaces, such as radars, satellites, wind generators, and medical computed tomography machines. Rolling contact components are used in the RCC instead of traditional sliding contacts to transfer electrical power and/or signal. Since the requirement of the power transmission is increasing in these years, the rolling electrical contact characteristics become more and more important for the long-life design of RCC. In this paper, a typical form of RCC is presented. A series of experimental work are carried out to investigate the rolling electrical contact characteristics during its lifetime. The influence of a variety of factors on the electrical contact degradation behavior of RCC is analyzed under both vacuum and air environment. Based on the surface morphology and elemental composition changes in the contact zone, which are assessed by field emission scanning electron microscope and confocal laser scanning microscope, the mechanism of rolling electrical contact degradation is discussed.

CONTACT RESISTANCE MODELING

Directory of Open Access Journals (Sweden)

S. V. LOSKUTOV

2018-05-01

Full Text Available Purpose. To determine the contribution of the real contact spots distribution in the total conductivity of the conductors contact. Methodology. The electrical contact resistance research was carried out on models. The experimental part of this work was done on paper with a graphite layer with membranes (the first type and conductive liquids with discrete partitions (the second type. Findings. It is shown that the contact electrical resistance is mainly determined by the real area of metal contact. The experimental dependence of the electrical resistance of the second type model on the distance between the electrodes and the potential distribution along the sample surface for the first type model were obtained. The theoretical model based on the principle of electric field superposition was considered. The dependences obtained experimentally and calculated by using the theoretical model are in good agreement. Originality. The regularity of the electrical contact resistance formation on a large number of membranes was researched for the first time. A new model of discrete electrical contact based on the liquid as the conducting environment with nuclear membrane partitions was developed. The conclusions of the additivity of contact and bulk electrical resistance were done. Practical value. Based on these researches, a new experimental method of kinetic macroidentation that as a parameter of the metal surface layer deformation uses the real contact area was developed. This method allows to determine the value of average contact stresses, yield point, change of the stress on the depth of deformation depending on the surface treatment.

Influence of semisynthetic modification of the scaffold of a contact domain of HbS on polymerization: role of flexible surface topology in polymerization inhibition.

Science.gov (United States)

Sonati, Srinivasulu; Bhutoria, Savita; Prabhakaran, Muthuchidambaran; Acharya, Seetharama A

2018-02-01

A new variant of HbS, HbS-Einstein with a deletion of segment α 23-26 in the B-helix, has been assembled by semisynthetic approach. B-helix of the α chain of cis αβ-dimer of HbS plays dominant role in the quinary interactions of deoxy HbS dimer. This B-helix is the primary scaffold that provides the orientation for the side chains of contact residues of this intermolecular contact domain. The design of HbS-Einstein has been undertaken to map the influence of perturbation of molecular surface topology and the flexibility of surface residues in the polymerization. The internal deletion exerts a strong inhibitory influence on Val-6 (β)-dependent polymerization, comparable to single contact site mutations and not for complete neutralization of Val-6(β)-dependent polymerization. The scaffold modification in cis-dimer is inhibitory, and is without any effect when present on the trans dimer. The flexibility changes in the surface topology in the region of scaffold modification apparently counteracts the intrinsic polymerization potential of the molecule. The inhibition is close to that of Le Lamentin mutation [His-20 (α) → Gln] wherein a mutation engineered without much change in flexibility of the contact domain. Interestingly, the chimeric HbS with swine-human chimeric α chain with multiple non-conservative mutations completely inhibits the Val-6(β)-dependent polymerization. The deformabilities of surface topology of chimeric HbS are comparable to HbS in spite of the multiple contact site mutations in the α-chain. We conclude that the design of antisickling Hbs for gene therapy of sickle cell disease should involve multiple mutations of intermolecular contact sites.

Analysis of Corrosion Residues Collected from the Aluminum Basket Rails of the High-Burnup Demonstration Cask.

Energy Technology Data Exchange (ETDEWEB)

Bryan, Charles R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-03-01

On September, 2015, an inspection was performed on the TN-32B cask that will be used for the high-burnup demonstration project. During the survey, wooden cribbing that had been placed within the cask eleven years earlier to prevent shifting of the basket during transport was removed, revealing two areas of residue on the aluminum basket rails, where they had contacted the cribbing. The residue appeared to be a corrosion product, and concerns were raised that similar attack could exist at more difficult-to-inspect locations in the canister. Accordingly, when the canister was reopened, samples of the residue were collected for analysis. This report presents the results of that assessment, which determined that the corrosion was due to the presence of the cribbing. The corrosion was associated with fungal material, and fungal activity likely contributed to an aggressive chemical environment. Once the cask has been cleaned, there will be no risk of further corrosion.

Evaluation of PAH depletion of subsurface Exxon Valdez oil residues remaining in Prince William Sound in 2007-2008 and their likely bioremediation potential

Energy Technology Data Exchange (ETDEWEB)

Atlas, R. [Louisville Univ., Louisville, KY (United States); Bragg, J.R. [Creative Petroleum Solutions LLC, Houston, TX (United States)

2009-07-01

This study examined the extent of oil weathering at the Exxon Valdez oil spill (EVOS) sites and estimated the bioremediation potential for shoreline segments by examining the depletion of total polycyclic aromatic hydrocarbons (PAHs) relative to an estimated applicability threshold of 70 per cent. The distribution of oil was examined by location and current ratios of nitrogen and non-polar oil in order to assess if biodegradation rates were nutrient-limited. The impact of sequestration on the effectiveness of bioremediation was also studied. Results of the study showed that the EVOS residues are patchy and infrequently found on sites that were heavily oiled in 1989. Only 0.4 per cent of the oil originally stranded in 1989 remained. The remaining EVOS residues are sequestered under boulder and cobble armour in areas with limited contact with flowing water. The study also showed that concentrations of nitrogen and dissolved oxygen in pore waters within strata adjacent to the sequestered oil can support biodegradation. Most remaining EVOS residues are highly weathered and biodegraded. It was concluded that nutrients added to the shorelines are unlikely to effectively contact the sequestered oil. 31 refs., 2 tabs., 14 figs.

ProteinWorldDB: querying radical pairwise alignments among protein sets from complete genomes.

Science.gov (United States)

Otto, Thomas Dan; Catanho, Marcos; Tristão, Cristian; Bezerra, Márcia; Fernandes, Renan Mathias; Elias, Guilherme Steinberger; Scaglia, Alexandre Capeletto; Bovermann, Bill; Berstis, Viktors; Lifschitz, Sergio; de Miranda, Antonio Basílio; Degrave, Wim

2010-03-01

Many analyses in modern biological research are based on comparisons between biological sequences, resulting in functional, evolutionary and structural inferences. When large numbers of sequences are compared, heuristics are often used resulting in a certain lack of accuracy. In order to improve and validate results of such comparisons, we have performed radical all-against-all comparisons of 4 million protein sequences belonging to the RefSeq database, using an implementation of the Smith-Waterman algorithm. This extremely intensive computational approach was made possible with the help of World Community Grid, through the Genome Comparison Project. The resulting database, ProteinWorldDB, which contains coordinates of pairwise protein alignments and their respective scores, is now made available. Users can download, compare and analyze the results, filtered by genomes, protein functions or clusters. ProteinWorldDB is integrated with annotations derived from Swiss-Prot, Pfam, KEGG, NCBI Taxonomy database and gene ontology. The database is a unique and valuable asset, representing a major effort to create a reliable and consistent dataset of cross-comparisons of the whole protein content encoded in hundreds of completely sequenced genomes using a rigorous dynamic programming approach. The database can be accessed through http://proteinworlddb.org

Friction and universal contact area law for randomly rough viscoelastic contacts.

Science.gov (United States)

Scaraggi, M; Persson, B N J

2015-03-18

We present accurate numerical results for the friction force and the contact area for a viscoelastic solid (rubber) in sliding contact with hard, randomly rough substrates. The rough surfaces are self-affine fractal with roughness over several decades in length scales. We calculate the contribution to the friction from the pulsating deformations induced by the substrate asperities. We also calculate how the area of real contact, A(v, p), depends on the sliding speed v and on the nominal contact pressure p, and we show how the contact area for any sliding speed can be obtained from a universal master curve A(p). The numerical results are found to be in good agreement with the predictions of an analytical contact mechanics theory.

Current knowledge on biomarkers for contact sensitization and allergic contact dermatitis

DEFF Research Database (Denmark)

Koppes, Sjors A.; Engebretsen, Kristiane A.; Agner, Tove

2017-01-01

Contact sensitization is common and affects up to 20% of the general population. The clinical manifestation of contact sensitization is allergic contact dermatitis. This is a clinical expression that is sometimes difficult to distinguish from other types of dermatitis, for example irritant...... and atopic dermatitis. Several studies have examined the pathogenesis and severity of allergic contact dermatitis by measuring the absence or presence of various biomarkers. In this review, we provide a non-systematic overview of biomarkers that have been studied in allergic contact dermatitis. These include...... genetic variations and mutations, inflammatory mediators, alarmins, proteases, immunoproteomics, lipids, natural moisturizing factors, tight junctions, and antimicrobial peptides. We conclude that, despite the enormous amount of data, convincing specific biomarkers for allergic contact dermatitis are yet...

Coordinate transformation in the model of long Josephson contacts: geometrically equivalent contacts

International Nuclear Information System (INIS)

Semerdzhieva, E.G.; Boyadzhiev, T.L.; ); Shukrinov, Yu.M.; Physical Technical Institute Dushanbe, 734063

2005-01-01

The transition from model of long Josephson variable-width contact to the contact model with coordinate-dependent Josephson current amplitude is realized by transforming the coordinates. This sets up a correspondence between Josephson contacts of variable width and quasi-one-dimensional contacts of variable thickness barrier layer. It is shown, that for contacts of exponentially varying width the barrier layer of the corresponding quasi-one-dimensional contact contains the distributed resistive inhomogeneity which is an attractor to magnetic flux vortices. With numerical experiments, a 'critical current-magnetic field' dependence for a resistive microinhomogeneity Josephson contact was plotted, and its comparison with the critical curve for a contact of exponentially varying width was made. Thus, this demonstrates that the distributed inhomogeneity may be replaced by a local one at the JC end what technologically, may offer definite advantages

Simulation Results: Optimization of Contact Ratio for Interdigitated Back-Contact Solar Cells

Directory of Open Access Journals (Sweden)

Vinay Budhraja

2017-01-01

Full Text Available In the fabrication of interdigitated back contact (IBC solar cells, it is very important to choose the right size of contact to achieve the maximum efficiency. Line contacts and point contacts are the two possibilities, which are being chosen for IBC structure. It is expected that the point contacts would give better results because of the reduced recombination rate. In this work, we are simulating the effect of contact size on the performance of IBC solar cells. Simulations were done in three dimension using Quokka, which numerically solves the charge carrier transport. Our simulation results show that around 10% of contact ratio is able to achieve optimum cell efficiency.

Estimators of the Relations of Equivalence, Tolerance and Preference Based on Pairwise Comparisons with Random Errors

Directory of Open Access Journals (Sweden)

Leszek Klukowski

2012-01-01

Full Text Available This paper presents a review of results of the author in the area of estimation of the relations of equivalence, tolerance and preference within a finite set based on multiple, independent (in a stochastic way pairwise comparisons with random errors, in binary and multivalent forms. These estimators require weaker assumptions than those used in the literature on the subject. Estimates of the relations are obtained based on solutions to problems from discrete optimization. They allow application of both types of comparisons - binary and multivalent (this fact relates to the tolerance and preference relations. The estimates can be verified in a statistical way; in particular, it is possible to verify the type of the relation. The estimates have been applied by the author to problems regarding forecasting, financial engineering and bio-cybernetics. (original abstract

Transmission of H7N9 Influenza Viruses with a Polymorphism at PB2 Residue 627 in Chickens and Ferrets

Science.gov (United States)

Luk, Geraldine S. M.; Leung, Connie Y. H.; Sia, Sin Fun; Choy, Ka-Tim; Zhou, Jie; Ho, Candy C. K.; Cheung, Peter P. H.; Lee, Elaine F.; Wai, Chris K. L.; Li, Pamela C. H.; Ip, Sin-Ming; Poon, Leo L. M.; Lindsley, William G.

2015-01-01

ABSTRACT Poultry exposure is a major risk factor for human H7N9 zoonotic infections, for which the mode of transmission remains unclear. We studied the transmission of genetically related poultry and human H7N9 influenza viruses differing by four amino acids, including the host determinant PB2 residue 627. A/Silkie chicken/HK/1772/2014 (SCk1772) and A/HK/3263/14 (HK3263) replicated to comparable titers in chickens, with superior oropharyngeal over cloacal shedding; both viruses transmitted efficiently among chickens via direct contact but inefficiently via the airborne route. Interspecies transmission via the airborne route was observed for ferrets exposed to the SCk1772- or HK3263-infected chickens, while low numbers of copies of influenza viral genome were detected in the air, predominantly at particle sizes larger than 4 μm. In ferrets, the human isolate HK3263 replicated to higher titers and transmitted more efficiently via direct contact than SCk1772. We monitored “intrahost” and “interhost” adaptive changes at PB2 residue 627 during infection and transmission of the Sck1772 that carried E627 and HK3263 that carried V/K/E polymorphism at 60%, 20%, and 20%, respectively. For SCk1772, positive selection for K627 over E627 was observed in ferrets during the chicken-to-ferret or ferret-to-ferret transmission. For HK3263 that contained V/K/E polymorphism, mixed V627 and E627 genotypes were transmitted among chickens while either V627 or K627 was transmitted to ferrets with a narrow transmission bottleneck. Overall, our results suggest direct contact as the main mode for H7N9 transmission and identify the PB2-V627 genotype with uncompromised fitness and transmissibility in both avian and mammalian species. IMPORTANCE We studied the modes of H7N9 transmission, as this information is crucial for developing effective control measures for prevention. Using chicken (SCk1772) and human (HK3263) H7N9 isolates that differed by four amino acids, including the host

Benefits of Using Pairwise Trajectory Management in the Central East Pacific

Science.gov (United States)

Chartrand, Ryan; Ballard, Kathryn

2016-01-01

Pairwise Trajectory Management (PTM) is a concept that utilizes airborne and ground-based capabilities to enable airborne spacing operations in oceanic regions. The goal of PTM is to use enhanced surveillance, along with airborne tools, to manage the spacing between aircraft. Due to the enhanced airborne surveillance of Automatic Dependent Surveillance-Broadcast (ADS-B) information and reduced communication, the PTM minimum spacing distance will be less than distances currently required of an air traffic controller. Reduced minimum distance will increase the capacity of aircraft operations at a given altitude or volume of airspace, thereby increasing time on desired trajectory and overall flight efficiency. PTM is designed to allow a flight crew to resolve a specific traffic conflict (or conflicts), identified by the air traffic controller, while maintaining the flight crew's desired altitude. The air traffic controller issues a PTM clearance to a flight crew authorized to conduct PTM operations in order to resolve a conflict for the pair (or pairs) of aircraft (i.e., the PTM aircraft and a designated target aircraft). This clearance requires the flight crew of the PTM aircraft to use their ADS-B-enabled onboard equipment to manage their spacing relative to the designated target aircraft to ensure spacing distances that are no closer than the PTM minimum distance. When the air traffic controller determines that PTM is no longer required, the controller issues a clearance to cancel the PTM operation.

A discrete model of Ostwald ripening based on multiple pairwise interactions

Science.gov (United States)

Di Nunzio, Paolo Emilio

2018-06-01

A discrete multi-particle model of Ostwald ripening based on direct pairwise interactions is developed for particles with incoherent interfaces as an alternative to the classical LSW mean field theory. The rate of matter exchange depends on the average surface-to-surface interparticle distance, a characteristic feature of the system which naturally incorporates the effect of volume fraction of second phase. The multi-particle diffusion is described through the definition of an interaction volume containing all the particles involved in the exchange of solute. At small volume fractions this is proportional to the size of the central particle, at higher volume fractions it gradually reduces as a consequence of diffusion screening described on a geometrical basis. The topological noise present in real systems is also included. For volume fractions below about 0.1 the model predicts broad and right-skewed stationary size distributions resembling a lognormal function. Above this value, a transition to sharper, more symmetrical but still right-skewed shapes occurs. An excellent agreement with experiments is obtained for 3D particle size distributions of solid-solid and solid-liquid systems with volume fraction 0.07, 0.30, 0.52 and 0.74. The kinetic constant of the model depends on the cube root of volume fraction up to about 0.1, then increases rapidly with an upward concavity. It is in good agreement with the available literature data on solid-liquid mixtures in the volume fraction range from 0.20 to about 0.75.

First contact diagnosis and management of contact lens-related complications.

Science.gov (United States)

Fagan, Xavier J; Jhanji, Vishal; Constantinou, Marios; Amirul Islam, F M; Taylor, Hugh R; Vajpayee, Rasik B

2012-08-01

To describe the spectrum of contact lens-related problems in cases presenting to a tertiary referral eye hospital. A retrospective case record analysis of 111 eyes of 97 consecutive patients was undertaken over a period of five months at the Royal Victorian Eye and Ear Hospital, Melbourne, Australia. Contact lens-related complications (CLRC) were classified into microbial keratitis, sterile corneal infiltrates, corneal epitheliopathy and contact lens-related red eye (CLARE). Main parameters examined were nature of the first contact, clinical diagnosis, and management pattern. Forty-two percent of the initial presentations were to health care practitioners (HCPs) other than ophthalmologists. Mean duration from the onset of symptoms to presentation was 6.3 ± 10.9 days. Forty-nine percent (n = 54) of patients had an associated risk factor, most commonly overnight use of contact lenses (n = 14, 13 %). Most common diagnosis at presentation was corneal epitheliopathy (68 %) followed by sterile infiltrates (10 %), CLARE (8 %) and microbial keratitis (6 %). No significant differences were found in the pattern of treatment modalities administered by ophthalmologists and other HCPs. HCPs other than ophthalmologists are the first contact for contact lens-related problems in a significant proportion of patients. These HCPs manage the majority of CLRC by direct treatment or immediate referral.

Fast-GPU-PCC: A GPU-Based Technique to Compute Pairwise Pearson's Correlation Coefficients for Time Series Data-fMRI Study.

Science.gov (United States)

Eslami, Taban; Saeed, Fahad

2018-04-20

Functional magnetic resonance imaging (fMRI) is a non-invasive brain imaging technique, which has been regularly used for studying brain’s functional activities in the past few years. A very well-used measure for capturing functional associations in brain is Pearson’s correlation coefficient. Pearson’s correlation is widely used for constructing functional network and studying dynamic functional connectivity of the brain. These are useful measures for understanding the effects of brain disorders on connectivities among brain regions. The fMRI scanners produce huge number of voxels and using traditional central processing unit (CPU)-based techniques for computing pairwise correlations is very time consuming especially when large number of subjects are being studied. In this paper, we propose a graphics processing unit (GPU)-based algorithm called Fast-GPU-PCC for computing pairwise Pearson’s correlation coefficient. Based on the symmetric property of Pearson’s correlation, this approach returns N ( N − 1 ) / 2 correlation coefficients located at strictly upper triangle part of the correlation matrix. Storing correlations in a one-dimensional array with the order as proposed in this paper is useful for further usage. Our experiments on real and synthetic fMRI data for different number of voxels and varying length of time series show that the proposed approach outperformed state of the art GPU-based techniques as well as the sequential CPU-based versions. We show that Fast-GPU-PCC runs 62 times faster than CPU-based version and about 2 to 3 times faster than two other state of the art GPU-based methods.

Optimal Inconsistency Repairing of Pairwise Comparison Matrices Using Integrated Linear Programming and Eigenvector Methods

Directory of Open Access Journals (Sweden)

Haiqing Zhang

2014-01-01

Full Text Available Satisfying consistency requirements of pairwise comparison matrix (PCM is a critical step in decision making methodologies. An algorithm has been proposed to find a new modified consistent PCM in which it can replace the original inconsistent PCM in analytic hierarchy process (AHP or in fuzzy AHP. This paper defines the modified consistent PCM by the original inconsistent PCM and an adjustable consistent PCM combined. The algorithm adopts a segment tree to gradually approach the greatest lower bound of the distance with the original PCM to obtain the middle value of an adjustable PCM. It also proposes a theorem to obtain the lower value and the upper value of an adjustable PCM based on two constraints. The experiments for crisp elements show that the proposed approach can preserve more of the original information than previous works of the same consistent value. The convergence rate of our algorithm is significantly faster than previous works with respect to different parameters. The experiments for fuzzy elements show that our method could obtain suitable modified fuzzy PCMs.

Leaf habit does not determine the investment in both physical and chemical defences and pair-wise correlations between these defensive traits.

Science.gov (United States)

Moreira, X; Pearse, I S

2017-05-01

Plant life-history strategies associated with resource acquisition and economics (e.g. leaf habit) are thought to be fundamental determinants of the traits and mechanisms that drive herbivore pressure, resource allocation to plant defensive traits, and the simultaneous expression (positive correlations) or trade-offs (negative correlations) between these defensive traits. In particular, it is expected that evergreen species - which usually grow slower and support constant herbivore pressure in comparison with deciduous species - will exhibit higher levels of both physical and chemical defences and a higher predisposition to the simultaneous expression of physical and chemical defensive traits. Here, by using a dataset which included 56 oak species (Quercus genus), we investigated whether leaf habit of plant species governs the investment in both physical and chemical defences and pair-wise correlations between these defensive traits. Our results showed that leaf habit does not determine the production of most leaf physical and chemical defences. Although evergreen oak species had higher levels of leaf toughness and specific leaf mass (physical defences) than deciduous oak species, both traits are essentially prerequisites for evergreenness. Similarly, our results also showed that leaf habit does not determine pair-wise correlations between defensive traits because most physical and chemical defensive traits were simultaneously expressed in both evergreen and deciduous oak species. Our findings indicate that leaf habit does not substantially contribute to oak species differences in plant defence investment. © 2017 German Botanical Society and The Royal Botanical Society of the Netherlands.

Residual stress control and design of next-generation ultra-hard gear steels

Science.gov (United States)

Qian, Yana

In high power density transmission systems, Ni-Co secondary hardening steels have shown great potential for next-generation gear applications due to their excellent strength, toughness and superior fatigue performance. Study of residual stress generation and evolution in Ferrium C61 and C67 gear steels revealed that shot peening and laser peening processes effectively produce desired beneficial residual stress in the steels for enhanced fatigue performance. Surface residual stress levels of -1.4GPa and -1.5GPa were achieved in shot peened C61 and laser peened C67, respectively, without introducing large surface roughness or defects. Higher compressive residual stress is expected in C67 according to a demonstrated correlation between attainable residual stress and material hardness. Due to the lack of appropriate shot media, dual laser peening is proposed for future peening optimization in C67. A novel non-destructive synchrotron radiation technique was implemented and applied for the first time for residual stress distribution analysis in gear steels with large composition and property gradients. Observed substantial residual stress redistribution and material microstructure change during the rolling contact fatigue screening test with extremely high 5.4GPa load indicates the unsuitability of the test as a fatigue life predictor. To exploit benefits of higher case hardness and associated residual stress, a new material and process (CryoForm70) aiming at 70Rc surface hardness was designed utilizing the systems approach based on thermodynamics and secondary hardening mechanisms. The composition design was first validated by the excellent agreement between experimental and theoretical core martensite start temperature in the prototype. A novel cryogenic deformation process was concurrently designed to increase the case martensite volume fraction from 76% to 92% for enhanced strengthening efficiency and surface hardness. High temperature vacuum carburizing was

Contact isotopic- and contact ion-exchange between two adsorbents

International Nuclear Information System (INIS)

Bunzl, K.; Mohan, R.; Haimerl, M.

1975-01-01

The kinetics of contact ion exchange processes between an ion exchange membrane and resin ion exchange beads, stirred in pure water, was investigated. A general criterion was derived, which indicates whether diffusion of the ions between the intermingling electric double layers or the collision frequency between the two adsorbents is the rate dermining step. Since the latter process proved to be rate controlling under our experimental conditions, the corresponding rate equations were derived under various initial and boundary conditions. Experimentally, the kinetics of contact isotopic exchange of Cs + - and Na + -ions as well as of the reverse contact ion exchange process of Cs + -versus Na + -ions were investigated by using Na 22 and Cs 137 radioisotopes. The experiments reveal in quantitative accord with the theory that the rate of collision controlled contact ion exchange processes depends mainly on the 'exchange coefficient', the separation factor and the collision frequency. While the latter two quantities were determined independently by separate experiments, the 'exchange coefficient' was evaluated from a contact isotopic exchange experiment. (orig.) [de

Current knowledge on biomarkers for contact sensitization and allergic contact dermatitis.

Science.gov (United States)

Koppes, Sjors A; Engebretsen, Kristiane A; Agner, Tove; Angelova-Fischer, Irena; Berents, Teresa; Brandner, Johanna; Brans, Richard; Clausen, Maja-Lisa; Hummler, Edith; Jakasa, Ivone; Jurakić-Tončic, Ružica; John, Swen M; Khnykin, Denis; Molin, Sonja; Holm, Jan O; Suomela, Sari; Thierse, Hermann-Josef; Kezic, Sanja; Martin, Stefan F; Thyssen, Jacob P

2017-07-01

Contact sensitization is common and affects up to 20% of the general population. The clinical manifestation of contact sensitization is allergic contact dermatitis. This is a clinical expression that is sometimes difficult to distinguish from other types of dermatitis, for example irritant and atopic dermatitis. Several studies have examined the pathogenesis and severity of allergic contact dermatitis by measuring the absence or presence of various biomarkers. In this review, we provide a non-systematic overview of biomarkers that have been studied in allergic contact dermatitis. These include genetic variations and mutations, inflammatory mediators, alarmins, proteases, immunoproteomics, lipids, natural moisturizing factors, tight junctions, and antimicrobial peptides. We conclude that, despite the enormous amount of data, convincing specific biomarkers for allergic contact dermatitis are yet to be described. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Quaternionic contact Einstein structures and the quaternionic contact Yamabe problem

CERN Document Server

Ivanov, Stefan; Vassilev, Dimiter

2014-01-01

A partial solution of the quaternionic contact Yamabe problem on the quaternionic sphere is given. It is shown that the torsion of the Biquard connection vanishes exactly when the trace-free part of the horizontal Ricci tensor of the Biquard connection is zero and this occurs precisely on 3-Sasakian manifolds. All conformal transformations sending the standard flat torsion-free quaternionic contact structure on the quaternionic Heisenberg group to a quaternionic contact structure with vanishing torsion of the Biquard connection are explicitly described. A "3-Hamiltonian form" of infinitesimal conformal automorphisms of quaternionic contact structures is presented.

Dynamics of Linker Residues Modulate the Nucleic Acid Binding Properties of the HIV-1 Nucleocapsid Protein Zinc Fingers

Science.gov (United States)

Zargarian, Loussiné; Tisné, Carine; Barraud, Pierre; Xu, Xiaoqian; Morellet, Nelly; René, Brigitte; Mély, Yves; Fossé, Philippe; Mauffret, Olivier

2014-01-01

The HIV-1 nucleocapsid protein (NC) is a small basic protein containing two zinc fingers (ZF) separated by a short linker. It is involved in several steps of the replication cycle and acts as a nucleic acid chaperone protein in facilitating nucleic acid strand transfers occurring during reverse transcription. Recent analysis of three-dimensional structures of NC-nucleic acids complexes established a new property: the unpaired guanines targeted by NC are more often inserted in the C-terminal zinc finger (ZF2) than in the N-terminal zinc finger (ZF1). Although previous NMR dynamic studies were performed with NC, the dynamic behavior of the linker residues connecting the two ZF domains remains unclear. This prompted us to investigate the dynamic behavior of the linker residues. Here, we collected 15N NMR relaxation data and used for the first time data at several fields to probe the protein dynamics. The analysis at two fields allows us to detect a slow motion occurring between the two domains around a hinge located in the linker at the G35 position. However, the amplitude of motion appears limited in our conditions. In addition, we showed that the neighboring linker residues R29, A30, P31, R32, K33 displayed restricted motion and numerous contacts with residues of ZF1. Our results are fully consistent with a model in which the ZF1-linker contacts prevent the ZF1 domain to interact with unpaired guanines, whereas the ZF2 domain is more accessible and competent to interact with unpaired guanines. In contrast, ZF1 with its large hydrophobic plateau is able to destabilize the double-stranded regions adjacent to the guanines bound by ZF2. The linker residues and the internal dynamics of NC regulate therefore the different functions of the two zinc fingers that are required for an optimal chaperone activity. PMID:25029439

Contact Dermatitis in Pediatrics.

Science.gov (United States)

Pelletier, Janice L; Perez, Caroline; Jacob, Sharon E

2016-08-01

Contact dermatitis is an umbrella term that describes the skin's reaction to contacted noxious or allergenic substances. The two main categories of contact dermatitis are irritant type and allergic type. This review discusses the signs, symptoms, causes, and complications of contact dermatitis. It addresses the testing, treatment, and prevention of contact dermatitis. Proper management of contact dermatitis includes avoidance measures for susceptible children. Implementation of a nickel directive (regulating the use of nickel in jewelry and other products that come into contact with the skin) could further reduce exposure to the most common allergens in the pediatric population. [Pediatr Ann. 2016;45(8):e287-e292.]. Copyright 2016, SLACK Incorporated.

Coevolving residues of (beta/alpha)(8)-barrel proteins play roles in stabilizing active site architecture and coordinating protein dynamics.

Science.gov (United States)

Shen, Hongbo; Xu, Feng; Hu, Hairong; Wang, Feifei; Wu, Qi; Huang, Qiang; Wang, Honghai

2008-12-01

Indole-3-glycerol phosphate synthase (IGPS) is a representative of (beta/alpha)(8)-barrel proteins-the most common enzyme fold in nature. To better understand how the constituent amino-acids work together to define the structure and to facilitate the function, we investigated the evolutionary and dynamical coupling of IGPS residues by combining statistical coupling analysis (SCA) and molecular dynamics (MD) simulations. The coevolving residues identified by the SCA were found to form a network which encloses the active site completely. The MD simulations showed that these coevolving residues are involved in the correlated and anti-correlated motions. The correlated residues are within van der Waals contact and appear to maintain the active site architecture; the anti-correlated residues are mainly distributed on opposite sides of the catalytic cavity and coordinate the motions likely required for the substrate entry and product release. Our findings might have broad implications for proteins with the highly conserved (betaalpha)(8)-barrel in assessing the roles of amino-acids that are moderately conserved and not directly involved in the active site of the (beta/alpha)(8)-barrel. The results of this study could also provide useful information for further exploring the specific residue motions for the catalysis and protein design based on the (beta/alpha)(8)-barrel scaffold.

Influence of friction on the residual morphology, the penetration load and the residual stress distribution of a Zr-based bulk metallic glass

Directory of Open Access Journals (Sweden)

Hu Huang

2013-04-01

Full Text Available In this paper, friction between the Cube-Corner indenter and the sample surface of a Zr-based bulk metallic glass (BMG was analyzed and discussed by the experimental method, the theoretical method and the finite element simulation. Linear residua are observed on the surface of the indenter for the first time, which gives the direct evidence that strong interaction processes exist between the indenter surface and the sample surface because of strong friction and local high contact press. A simplified model was developed to correct the penetration load with the consideration of friction. Effects of friction on the penetration load-depth curves, plastic flow, surface deformation and residual stress distribution of the sample with different friction coefficients were investigated by the finite element simulation.

Is it possible to determine firearm calibre and shooting range from the examination of gunshot residue in close range gunshot wounds? An experimental study

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Anisa Gradaščević

2013-12-01

Full Text Available Introduction: The aim of the study was determining the type of weapon and shooting distance depending on chemical analysis of inorganic gunshot residue from the skin gunshot wounds in experimental animals (pigs.Methods: Experimental study was conducted in order to determine components and their percentage in gunshot residue (GSR. In 60 samples, pig skin was shot by fi ring projectiles from four different weapons and from three different distances (contact wound and near contact wound from 5 cm and 10 cm. The methodology included determining the presence of inorganic material: antimony, barium, lead, nickel, zinc and copper in the skin and subcutaneous tissue using atomic absorption spectrophotometry (AAS.Results: Formula for determining weapon type was provided cutt-off points for different weapons, with 78.6% of original grouped cases being correctly classifi ed. Formula for determining weapon type was provided cutt-off points for different distances, with 58.9% of original grouped cases being correctly classified, which was slightly less reliable compared to weapon type discrimination analysis.Conclusion: The presented study showed that chemical analysis of GSR in entrance wound with AAS could be useful in determining the type of weapon, as well as the shooting distance, i.e. in our study, determiningwhether the wound is contact or near contact. This could be particularly useful in postmortally putrefi ed or charred bodies with gunshot wounds.

The optimization of molybdenum back contact films for Cu(In,Ga)Se{sub 2} solar cells by the cathodic arc ion plating method

Energy Technology Data Exchange (ETDEWEB)

Cho, Yong Ki, E-mail: choyk@kitech.re.kr [Heat Treatment and Surface Engineering R and D Group, Korea Institute of Industrial Technology, Incheon 406-840 (Korea, Republic of); Department of Physics, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Kim, Gang Sam; Song, Young Sik; Lim, Tae Hong [Heat Treatment and Surface Engineering R and D Group, Korea Institute of Industrial Technology, Incheon 406-840 (Korea, Republic of); Jung, Donggeun [Department of Physics, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

2013-12-02

Molybdenum back contact films for Cu(In,Ga)Se{sub 2} (CIGS) solar cells have been deposited using DC magnetron sputtering methods. The electronic pathway properties of the molybdenum film have been highly dependent on the working gas pressure in magnetron sputtering, which should be carefully controlled to obtain high conductivity and adhesion. A coating method, cathodic arc ion plating, was used for molybdenum back contact electrode fabrication. The aim of this work was to find a metallization method for CIGS solar cells, which has less sensitivity on the working pressure. The resistivity, grain size, growth structures, stress, and efficiency of the films in CIGS solar cells were investigated. The results reveal that the growth structures of the molybdenum films mainly affect the conductivity. The lowest electrical resistivity of the ion-plated molybdenum films was 6.9 μΩ-cm at a pressure of 0.7 Pa. The electrical resistivity variation showed a gently increasing slope with linearity under a working gas pressure of 13.3 Pa. However, a high value of the residual stress of over 1.3 GPa was measured. In order to reduce stress, titanium film was selected as the buffer layer material, and the back contact films were optimized by double-layer coating of two kinds of hetero-materials with arc ion plating. CIGS solar cells prepared molybdenum films to measure the efficiency and to examine the effects of the back contact electrode. The resistivity, grain size, and surface morphology of molybdenum films were measured by four-point probe, X-ray diffraction, and a scanning electron microscope. The residual stress of the films was calculated from differences in bending curvatures measured using a laser beam. - Highlights: • Molybdenum back contact films for Cu(In,Ga)Se{sub 2} solar cells were prepared by the cathodic arc ion plating. • The lowest electrical resistivity of molybdenum film was 6.9 μΩ-cm. • Titanium buffer layer reduced the compressive residual stress

Projecting social contact matrices in 152 countries using contact surveys and demographic data.

Directory of Open Access Journals (Sweden)

Kiesha Prem

2017-09-01

Full Text Available Heterogeneities in contact networks have a major effect in determining whether a pathogen can become epidemic or persist at endemic levels. Epidemic models that determine which interventions can successfully prevent an outbreak need to account for social structure and mixing patterns. Contact patterns vary across age and locations (e.g. home, work, and school, and including them as predictors in transmission dynamic models of pathogens that spread socially will improve the models' realism. Data from population-based contact diaries in eight European countries from the POLYMOD study were projected to 144 other countries using a Bayesian hierarchical model that estimated the proclivity of age-and-location-specific contact patterns for the countries, using Markov chain Monte Carlo simulation. Household level data from the Demographic and Health Surveys for nine lower-income countries and socio-demographic factors from several on-line databases for 152 countries were used to quantify similarity of countries to estimate contact patterns in the home, work, school and other locations for countries for which no contact data are available, accounting for demographic structure, household structure where known, and a variety of metrics including workforce participation and school enrolment. Contacts are highly assortative with age across all countries considered, but pronounced regional differences in the age-specific contacts at home were noticeable, with more inter-generational contacts in Asian countries than in other settings. Moreover, there were variations in contact patterns by location, with work-place contacts being least assortative. These variations led to differences in the effect of social distancing measures in an age structured epidemic model. Contacts have an important role in transmission dynamic models that use contact rates to characterize the spread of contact-transmissible diseases. This study provides estimates of mixing patterns for

Projecting social contact matrices in 152 countries using contact surveys and demographic data.

Science.gov (United States)

Prem, Kiesha; Cook, Alex R; Jit, Mark

2017-09-01

Heterogeneities in contact networks have a major effect in determining whether a pathogen can become epidemic or persist at endemic levels. Epidemic models that determine which interventions can successfully prevent an outbreak need to account for social structure and mixing patterns. Contact patterns vary across age and locations (e.g. home, work, and school), and including them as predictors in transmission dynamic models of pathogens that spread socially will improve the models' realism. Data from population-based contact diaries in eight European countries from the POLYMOD study were projected to 144 other countries using a Bayesian hierarchical model that estimated the proclivity of age-and-location-specific contact patterns for the countries, using Markov chain Monte Carlo simulation. Household level data from the Demographic and Health Surveys for nine lower-income countries and socio-demographic factors from several on-line databases for 152 countries were used to quantify similarity of countries to estimate contact patterns in the home, work, school and other locations for countries for which no contact data are available, accounting for demographic structure, household structure where known, and a variety of metrics including workforce participation and school enrolment. Contacts are highly assortative with age across all countries considered, but pronounced regional differences in the age-specific contacts at home were noticeable, with more inter-generational contacts in Asian countries than in other settings. Moreover, there were variations in contact patterns by location, with work-place contacts being least assortative. These variations led to differences in the effect of social distancing measures in an age structured epidemic model. Contacts have an important role in transmission dynamic models that use contact rates to characterize the spread of contact-transmissible diseases. This study provides estimates of mixing patterns for societies for which

Contact allergy and allergic contact dermatitis in adolescents: prevalence measures and associations

DEFF Research Database (Denmark)

Mørtz, Charlotte G; Lauritsen, Jens Martin; Bindslev-Jensen, Carsten

2002-01-01

The aims of this cross-sectional study were to establish the prevalence measures of contact allergy and allergic contact dermatitis in 8th grade schoolchildren (aged 12-16 years) in Odense, Denmark, and to examine the associations with atopic dermatitis, inhalant allergy and hand eczema. Contact...... allergy to a standard series allergen was found in 15.2% of schoolchildren. The point prevalence of allergic contact dermatitis was 0.7% and the lifetime prevalence 7.2%, predominantly in girls. The most common contact allergens were nickel (8.6%) and fragrance mix (1.8%). Nickel allergy was clinically...... relevant in 69% and fragrance allergy in 29% of cases. A significant association was found between contact allergy and hand eczema while no association was found between contact allergy and atopic dermatitis or inhalant allergy. In the future this cohort of schoolchildren will be followed with regard...

Current knowledge on biomarkers for contact sensitization and allergic contact dermatitis

NARCIS (Netherlands)

Koppes, Sjors A.; Engebretsen, Kristiane A.; Agner, Tove; Angelova-Fischer, Irena; Berents, Teresa; Brandner, Johanna; Brans, Richard; Clausen, Maja-Lisa; Hummler, Edith; Jakasa, Ivone; Jurakić-Tončic, Ružica; John, Swen M.; Khnykin, Denis; Molin, Sonja; Holm, Jan O.; Suomela, Sari; Thierse, Hermann-Josef; Kezic, Sanja; Martin, Stefan F.; Thyssen, Jacob P.

2017-01-01

Contact sensitization is common and affects up to 20% of the general population. The clinical manifestation of contact sensitization is allergic contact dermatitis. This is a clinical expression that is sometimes difficult to distinguish from other types of dermatitis, for example irritant and

Relationship between the real contact area and contact force in pre-sliding regime

International Nuclear Information System (INIS)

Song Baojiang; Yan Shaoze

2017-01-01

The pre-sliding regime is typically neglected in the dynamic modelling of mechanical systems. However, the change in contact state caused by static friction may decrease positional accuracy and control precision. To investigate the relationship between contact status and contact force in pre-sliding friction, an optical experimental method is presented in this paper. With this method, the real contact state at the interface of a transparent material can be observed based on the total reflection principle of light by using an image processing technique. A novel setup, which includes a pair of rectangular trapezoidal blocks, is proposed to solve the challenging issue of accurately applying different tangential and normal forces to the contact interface. The improved Otsu’s method is used for measurement. Through an experimental study performed on polymethyl methacrylate (PMMA), the quantity of contact asperities is proven to be the dominant factor that affects the real contact area. The relationship between the real contact area and the contact force in the pre-sliding regime is studied, and the distribution of static friction at the contact interface is qualitatively discussed. New phenomena in which the real contact area expands along with increasing static friction are identified. The aforementioned relationship is approximately linear at the contact interface under a constant normal pressure, and the distribution of friction stress decreases from the leading edge to the trailing edge. (paper)

Sulphate Removal from Water by Carbon Residue from Biomass Gasification: Effect of Chemical Modification Methods on Sulphate Removal Efficiency

Directory of Open Access Journals (Sweden)

Hanna Runtti

2016-02-01

Full Text Available Sulphate removal from mine water is a problem because traditional chemical precipitation does not remove all sulphates. In addition, it creates lime sediment as a secondary waste. Therefore, an inexpensive and environmental-friendly sulphate removal method is needed in addition to precipitation. In this study, carbon residues from a wood gasification process were repurposed as precursors to a suitable sorbent for SO42- ion removal. The raw material was modified using ZnCl2, BaCl2, CaCl2, FeCl3, or FeCl2. Carbon residues modified with FeCl3 were selected for further consideration because the removal efficiency toward sulphate was the highest. Batch sorption experiments were performed to evaluate the effects of the initial pH, initial SO42- ion concentration, and contact time on sulphate removal. The removal of SO42- ions using Fe-modified carbon residue was notably higher compared with unmodified carbon residue and commercially available activated carbon. The sorption data exhibited pseudo-second-order kinetics. The isotherm analysis indicated that the sorption data of Fe-modified carbon residues can be represented by the bi-Langmuir isotherm model.

Influenza human monoclonal antibody 1F1 interacts with three major antigenic sites and residues mediating human receptor specificity in H1N1 viruses.

Directory of Open Access Journals (Sweden)

Tshidi Tsibane

Full Text Available Most monoclonal antibodies (mAbs to the influenza A virus hemagglutinin (HA head domain exhibit very limited breadth of inhibitory activity due to antigenic drift in field strains. However, mAb 1F1, isolated from a 1918 influenza pandemic survivor, inhibits select human H1 viruses (1918, 1943, 1947, and 1977 isolates. The crystal structure of 1F1 in complex with the 1918 HA shows that 1F1 contacts residues that are classically defined as belonging to three distinct antigenic sites, Sa, Sb and Ca(2. The 1F1 heavy chain also reaches into the receptor binding site (RBS and interacts with residues that contact sialoglycan receptors and determine HA receptor specificity. The 1F1 epitope is remarkably similar to the previously described murine HC63 H3 epitope, despite significant sequence differences between H1 and H3 HAs. Both antibodies potently inhibit receptor binding, but only HC63 can block the pH-induced conformational changes in HA that drive membrane fusion. Contacts within the RBS suggested that 1F1 may be sensitive to changes that alter HA receptor binding activity. Affinity assays confirmed that sequence changes that switch the HA to avian receptor specificity affect binding of 1F1 and a mAb possessing a closely related heavy chain, 1I20. To characterize 1F1 cross-reactivity, additional escape mutant selection and site-directed mutagenesis were performed. Residues 190 and 227 in the 1F1 epitope were found to be critical for 1F1 reactivity towards 1918, 1943 and 1977 HAs, as well as for 1I20 reactivity towards the 1918 HA. Therefore, 1F1 heavy-chain interactions with conserved RBS residues likely contribute to its ability to inhibit divergent HAs.

Contact Lens Risks

Science.gov (United States)

... There is a risk of eye infection from bacteria in swimming pool water, hot tubs, lakes and the ocean Replace your contact lens storage case every 3 months or as directed by your eye care professional. Other Risks of Contact Lenses Other risks of contact lenses include pink eye ( ...

Noneczematous Contact Dermatitis

Science.gov (United States)

Foti, Caterina; Vestita, Michelangelo; Angelini, Gianni

2013-01-01

Irritant or allergic contact dermatitis usually presents as an eczematous process, clinically characterized by erythematoedematovesicous lesions with intense itching in the acute phase. Such manifestations become erythematous-scaly as the condition progresses to the subacute phase and papular-hyperkeratotic in the chronic phase. Not infrequently, however, contact dermatitis presents with noneczematous features. The reasons underlying this clinical polymorphism lie in the different noxae and contact modalities, as well as in the individual susceptibility and the various targeted cutaneous structures. The most represented forms of non-eczematous contact dermatitis include the erythema multiforme-like, the purpuric, the lichenoid, and the pigmented kinds. These clinical entities must obviously be discerned from the corresponding “pure” dermatitis, which are not associated with contact with exogenous agents. PMID:24109520

Gene ontology analysis of pairwise genetic associations in two genome-wide studies of sporadic ALS

Directory of Open Access Journals (Sweden)

Kim Nora

2012-07-01

Full Text Available Abstract Background It is increasingly clear that common human diseases have a complex genetic architecture characterized by both additive and nonadditive genetic effects. The goal of the present study was to determine whether patterns of both additive and nonadditive genetic associations aggregate in specific functional groups as defined by the Gene Ontology (GO. Results We first estimated all pairwise additive and nonadditive genetic effects using the multifactor dimensionality reduction (MDR method that makes few assumptions about the underlying genetic model. Statistical significance was evaluated using permutation testing in two genome-wide association studies of ALS. The detection data consisted of 276 subjects with ALS and 271 healthy controls while the replication data consisted of 221 subjects with ALS and 211 healthy controls. Both studies included genotypes from approximately 550,000 single-nucleotide polymorphisms (SNPs. Each SNP was mapped to a gene if it was within 500 kb of the start or end. Each SNP was assigned a p-value based on its strongest joint effect with the other SNPs. We then used the Exploratory Visual Analysis (EVA method and software to assign a p-value to each gene based on the overabundance of significant SNPs at the α = 0.05 level in the gene. We also used EVA to assign p-values to each GO group based on the overabundance of significant genes at the α = 0.05 level. A GO category was determined to replicate if that category was significant at the α = 0.05 level in both studies. We found two GO categories that replicated in both studies. The first, ‘Regulation of Cellular Component Organization and Biogenesis’, a GO Biological Process, had p-values of 0.010 and 0.014 in the detection and replication studies, respectively. The second, ‘Actin Cytoskeleton’, a GO Cellular Component, had p-values of 0.040 and 0.046 in the detection and replication studies, respectively. Conclusions Pathway

Apparent Contact Angle and Contact Angle Hysteresis on Liquid Infused Surfaces

OpenAIRE

Semprebon, Ciro; McHale, Glen; Kusumaatmaja, Halim

2016-01-01

We theoretically investigate the apparent contact angle and contact angle hysteresis of a droplet placed on a liquid infused surface. We show that the apparent contact angle is not uniquely defined by material parameters, but also has a strong dependence on the relative size between the droplet and its surrounding wetting ridge formed by the infusing liquid. We derive a closed form expression for the contact angle in the limit of vanishing wetting ridge, and compute the correction for small b...

Rigid Residue Scan Simulations Systematically Reveal Residue Entropic Roles in Protein Allostery.

Directory of Open Access Journals (Sweden)

Robert Kalescky

2016-04-01

Full Text Available Intra-protein information is transmitted over distances via allosteric processes. This ubiquitous protein process allows for protein function changes due to ligand binding events. Understanding protein allostery is essential to understanding protein functions. In this study, allostery in the second PDZ domain (PDZ2 in the human PTP1E protein is examined as model system to advance a recently developed rigid residue scan method combining with configurational entropy calculation and principal component analysis. The contributions from individual residues to whole-protein dynamics and allostery were systematically assessed via rigid body simulations of both unbound and ligand-bound states of the protein. The entropic contributions of individual residues to whole-protein dynamics were evaluated based on covariance-based correlation analysis of all simulations. The changes of overall protein entropy when individual residues being held rigid support that the rigidity/flexibility equilibrium in protein structure is governed by the La Châtelier's principle of chemical equilibrium. Key residues of PDZ2 allostery were identified with good agreement with NMR studies of the same protein bound to the same peptide. On the other hand, the change of entropic contribution from each residue upon perturbation revealed intrinsic differences among all the residues. The quasi-harmonic and principal component analyses of simulations without rigid residue perturbation showed a coherent allosteric mode from unbound and bound states, respectively. The projection of simulations with rigid residue perturbation onto coherent allosteric modes demonstrated the intrinsic shifting of ensemble distributions supporting the population-shift theory of protein allostery. Overall, the study presented here provides a robust and systematic approach to estimate the contribution of individual residue internal motion to overall protein dynamics and allostery.

Can contact allergy to p-phenylenediamine explain the high rates of terpene hydroperoxide allergy?

DEFF Research Database (Denmark)

Bennike, Niels Højsager; Lepoittevin, Jean Pierre; Johansen, Jeanne D.

2017-01-01

Background: Contact allergy to linalool hydroperoxides (Lin-OOHs) and limonene hydroperoxides (Lim-OOHs) is common. Similarly to what occurs with the terpene hydroperoxides, reactive intermediates formed from p-phenylenediamine (PPD) can cause oxidative modifications of tryptophan residues...... on proteins in mechanistic studies. Objectives: To test the hypothesis that patients sensitized to PPD are at increased risk of concomitant reactivity to either of the terpene hydroperoxides, owing to a ‘common pathway’ of skin protein oxidation. Methods: A database study of consecutively patch tested eczema...... patients (n = 3843) from 2012 to 2015, tested concomitantly with PPD, Lim-OOHs and Lin-OOHs, was performed. Associations were examined by level of concordance and odds ratios (ORs) adjusted for age, sex, and contact allergy to fragrance mix I and fragrance mix II. Results: Concomitant reactions to PPD were...

Highly conserved small subunit residues influence rubisco large subunit catalysis.

Science.gov (United States)

Genkov, Todor; Spreitzer, Robert J

2009-10-30

The chloroplast enzyme ribulose 1,5-bisphosphate carboxylase/oxygenase (Rubisco) catalyzes the rate-limiting step of photosynthetic CO(2) fixation. With a deeper understanding of its structure-function relationships and competitive inhibition by O(2), it may be possible to engineer an increase in agricultural productivity and renewable energy. The chloroplast-encoded large subunits form the active site, but the nuclear-encoded small subunits can also influence catalytic efficiency and CO(2)/O(2) specificity. To further define the role of the small subunit in Rubisco function, the 10 most conserved residues in all small subunits were substituted with alanine by transformation of a Chlamydomonas reinhardtii mutant that lacks the small subunit gene family. All the mutant strains were able to grow photosynthetically, indicating that none of the residues is essential for function. Three of the substitutions have little or no effect (S16A, P19A, and E92A), one primarily affects holoenzyme stability (L18A), and the remainder affect catalysis with or without some level of associated structural instability (Y32A, E43A, W73A, L78A, P79A, and F81A). Y32A and E43A cause decreases in CO(2)/O(2) specificity. Based on the x-ray crystal structure of Chlamydomonas Rubisco, all but one (Glu-92) of the conserved residues are in contact with large subunits and cluster near the amino- or carboxyl-terminal ends of large subunit alpha-helix 8, which is a structural element of the alpha/beta-barrel active site. Small subunit residues Glu-43 and Trp-73 identify a possible structural connection between active site alpha-helix 8 and the highly variable small subunit loop between beta-strands A and B, which can also influence Rubisco CO(2)/O(2) specificity.

Contact with turf algae alters the coral microbiome: contact versus systemic impacts

Science.gov (United States)

Pratte, Zoe A.; Longo, Guilherme O.; Burns, Andrew S.; Hay, Mark E.; Stewart, Frank J.

2018-03-01

Coral reefs are degrading to algae-dominated reefs worldwide, with alterations of coral microbiomes commonly co-occurring with reef demise. The severe thermal anomaly during the 2016 El Niño event in the South Pacific killed many corals and stressed others. We examined the microbiome of turf algae and of the coral Porites sp. in contact with turf during this thermal event to investigate algal turf effects on the coral microbiome during a period of environmental stress. The microbial composition of turf did not differ between coral-contacted and non-contacted turfs. However, microbiomes of corals in direct contact with turf were similar to those of the turf microbiome, but differed significantly from coral portions 5 cm from the point of turf/coral contact and from portions of the coral that looked most healthy, regardless of location. Although the majority of significant differences occurred in coral samples at the point of contact, a small subset of microbial taxa was enriched in coral tissues taken 5 cm from turf contact compared to all other sample types, including samples from areas of the coral that appeared most healthy. These results suggest that the coral microbiome is susceptible to colonization by microbes from turf, but not vice versa. Results also suggest that algal contact elicits a subtle shift in the coral microbiome just beyond the contact site. The combination of turf microbiome stability and coral microbiome vulnerability at areas of contact may contribute to the continued decline in coral cover and increase in algal cover associated with coral-algae phase shifts.

Patients with multiple contact allergies

DEFF Research Database (Denmark)

Carlsen, Berit Christina; Andersen, Klaus Ejner; Menné, Torkil

2008-01-01

Patients with multiple contact allergies, also referred to as polysensitized, are more frequent than predicted from prevalence of single sensitivities. The understanding of why some people develop multiple contact allergies, and characterization of patients with multiple contact allergies...... of developing multiple contact allergies. Evidence of allergen clusters among polysensitized individuals is also reviewed. The literature supports the idea that patients with multiple contact allergies constitute a special entity within the field of contact allergy. There is no generally accepted definition...... of patients with multiple contact allergies. We suggest that contact allergy to 3 or more allergens are defined as multiple contact allergies....

The in vitro and in vivo validation of a mobile non-contact camera-based digital imaging system for tooth colour measurement.

Science.gov (United States)

Smith, Richard N; Collins, Luisa Z; Naeeni, Mojgan; Joiner, Andrew; Philpotts, Carole J; Hopkinson, Ian; Jones, Clare; Lath, Darren L; Coxon, Thomas; Hibbard, James; Brook, Alan H

2008-01-01

To assess the reproducibility of a mobile non-contact camera-based digital imaging system (DIS) for measuring tooth colour under in vitro and in vivo conditions. One in vitro and two in vivo studies were performed using a mobile non-contact camera-based digital imaging system. In vitro study: two operators used the DIS to image 10 dry tooth specimens in a randomised order on three occasions. In vivo study 1:25 subjects with two natural, normally aligned, upper central incisors had their teeth imaged using the DIS on four consecutive days by one operator to measure day-to-day variability. On one of the four test days, duplicate images were collected by three different operators to measure inter- and intra-operator variability. In vivo study 2:11 subjects with two natural, normally aligned, upper central incisors had their teeth imaged using the DIS twice daily over three days within the same week to assess day-to-day variability. Three operators collected images from subjects in a randomised order to measure inter- and intra-operator variability. Subject-to-subject variability was the largest source of variation within the data. Pairwise correlations and concordance coefficients were > 0.7 for each operator, demonstrating good precision and excellent operator agreement in each of the studies. Intraclass correlation coefficients (ICCs) for each operator indicate that day-to-day reliability was good to excellent, where all ICC's where > 0.75 for each operator. The mobile non-contact camera-based digital imaging system was shown to be a reproducible means of measuring tooth colour in both in vitro and in vivo experiments.

Experimental and numerical investigation of contact-area-limited doping for top-contact pentacene thin-film transistors with Schottky contact.

Science.gov (United States)

Noda, Kei; Wada, Yasuo; Toyabe, Toru

2015-10-28

Effects of contact-area-limited doping for pentacene thin-film transistors with a bottom-gate, top-contact configuration were investigated. The increase in the drain current and the effective field-effect mobility was achieved by preparing hole-doped layers underneath the gold contact electrodes by coevaporation of pentacene and 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), confirmed by using a thin-film organic transistor advanced simulator (TOTAS) incorporating Schottky contact with a thermionic field emission (TFE) model. Although the simulated electrical characteristics fit the experimental results well only in the linear regime of the transistor operation, the barrier height for hole injection and the gate-voltage-dependent hole mobility in the pentacene transistors were evaluated with the aid of the device simulation. This experimental data analysis with the simulation indicates that the highly-doped semiconducting layers prepared in the contact regions can enhance the charge carrier injection into the active semiconductor layer and concurrent trap filling in the transistor channel, caused by the mitigation of a Schottky energy barrier. This study suggests that both the contact-area-limited doping and the device simulation dealing with Schottky contact are indispensable in designing and developing high-performance organic thin-film transistors.

Role of Firing Temperature, Sheet Resistance, and Contact Area in Contact Formation on Screen-Printed Metal Contact of Silicon Solar Cell

Science.gov (United States)

Ahmad, Samir Mahmmod; Leong, Cheow Siu; Sopian, K.; Zaidi, Saleem H.

2018-03-01

Formation of an Ohmic contact requires a suitable firing temperature, appropriate doping profile, and contact dimensions within resolution limits of the screen-printing process. In this study, the role of the peak firing temperature in standard rapid thermal annealing (RTA) six-zone conveyor belt furnace (CBF) and two inexpensive alternate RTA systems [a custom-designed, three-zone, 5″-diameter quartz tube furnace (QTF) and a tabletop, 3″-diameter rapid thermal processing (RTP)] has been investigated. In addition, the role of sheet resistance and contact area in achieving low-resistance ohmic contacts has been examined. Electrical measurements of ohmic contacts between silver paste/ n +-emitter layer with varying sheet resistances and aluminum paste/ p-doped wafer were carried out in transmission line method configuration. Experimental measurements of the contact resistivity ( ρ c) exhibited the lowest values for CBF at 0.14 mΩ cm2 for Ag and 100 mΩ cm2 for Al at a peak firing temperature of 870°C. For the QTF configuration, lowest measured contact resistivities were 3.1 mΩ cm2 for Ag and 74.1 mΩ cm2 for Al at a peak firing temperature of 925°C. Finally, for the RTP configuration, lowest measured contact resistivities were 1.2 mΩ cm2 for Ag and 68.5 mΩ cm2 for Al at a peak firing temperature of 780°C. The measured contact resistivity exhibits strong linear dependence on sheet resistance. The contact resistivity for Ag decreases with contact area, while for Al the opposite behavior is observed.

An approximate JKR solution for a general contact, including rough contacts

Science.gov (United States)

Ciavarella, M.

2018-05-01

In the present note, we suggest a simple closed form approximate solution to the adhesive contact problem under the so-called JKR regime. The derivation is based on generalizing the original JKR energetic derivation assuming calculation of the strain energy in adhesiveless contact, and unloading at constant contact area. The underlying assumption is that the contact area distributions are the same as under adhesiveless conditions (for an appropriately increased normal load), so that in general the stress intensity factors will not be exactly equal at all contact edges. The solution is simply that the indentation is δ =δ1 -√{ 2 wA‧ /P″ } where w is surface energy, δ1 is the adhesiveless indentation, A‧ is the first derivative of contact area and P‧‧ the second derivative of the load with respect to δ1. The solution only requires macroscopic quantities, and not very elaborate local distributions, and is exact in many configurations like axisymmetric contacts, but also sinusoidal waves contact and correctly predicts some features of an ideal asperity model used as a test case and not as a real description of a rough contact problem. The solution permits therefore an estimate of the full solution for elastic rough solids with Gaussian multiple scales of roughness, which so far was lacking, using known adhesiveless simple results. The result turns out to depend only on rms amplitude and slopes of the surface, and as in the fractal limit, slopes would grow without limit, tends to the adhesiveless result - although in this limit the JKR model is inappropriate. The solution would also go to adhesiveless result for large rms amplitude of roughness hrms, irrespective of the small scale details, and in agreement with common sense, well known experiments and previous models by the author.

HTSC-Josephson step contacts

International Nuclear Information System (INIS)

Herrmann, K.

1994-03-01

In this work the properties of josephson step contacts are investigated. After a short introduction into Josephson step contacts the structure, properties and the Josphson contacts of YBa 2 Cu 3 O 7-x high-T c superconductors is presented. The fabrication of HTSC step contacts and the microstructure is discussed. The electric properties of these contacts are measured together with the Josephson emission and the magnetic field dependence. The temperature dependence of the stationary transport properties is given. (WL)

Residual gas analysis

International Nuclear Information System (INIS)

Berecz, I.

1982-01-01

Determination of the residual gas composition in vacuum systems by a special mass spectrometric method was presented. The quadrupole mass spectrometer (QMS) and its application in thin film technology was discussed. Results, partial pressure versus time curves as well as the line spectra of the residual gases in case of the vaporization of a Ti-Pd-Au alloy were demonstrated together with the possible construction schemes of QMS residual gas analysers. (Sz.J.)

Estimation of the residual bromine concentration after disinfection of cooling water by statistical evaluation.

Science.gov (United States)

Megalopoulos, Fivos A; Ochsenkuehn-Petropoulou, Maria T

2015-01-01

A statistical model based on multiple linear regression is developed, to estimate the bromine residual that can be expected after the bromination of cooling water. Make-up water sampled from a power plant in the Greek territory was used for the creation of the various cooling water matrices under investigation. The amount of bromine fed to the circuit, as well as other important operational parameters such as concentration at the cooling tower, temperature, organic load and contact time are taken as the independent variables. It is found that the highest contribution to the model's predictive ability comes from cooling water's organic load concentration, followed by the amount of bromine fed to the circuit, the water's mean temperature, the duration of the bromination period and finally its conductivity. Comparison of the model results with the experimental data confirms its ability to predict residual bromine given specific bromination conditions.

Measurement of adherence of residually stressed thin films by indentation. I. Mechanics of interface delamination

International Nuclear Information System (INIS)

Marshall, D.B.; Evans, A.G.

1984-01-01

A fracture analysis of indentation-induced delamination of thin films is presented. The analysis is based on a model system in which the section of film above the delaminating crack is treated as a rigidly clamped disc, and the crack extension force is derived from changes in strain energy of the system as the crack extends. Residual deposition stresses influence the cracking response by inducing buckling of the film above the crack and by providing an additional crack driving force once buckling occurs. A relation for the equilibrium crack length is derived in terms of the indenter load and geometry, the film thickness and mechanical properties, the residual stress level and the fracture toughness of the interface. The analysis provides a basis for using controlled indentation cracking as a quantitative measure of interface toughness and for evaluating contact-induced damage in thin films

Ocular surface displacement with and without contact lenses during non-contact tonometry.

Science.gov (United States)

Rimayanti, Ulfah; Kiuchi, Yoshiaki; Uemura, Shohei; Takenaka, Joji; Mochizuki, Hideki; Kaneko, Makoto

2014-01-01

To evaluate the displacement of the central ocular surface during non-contact tonometry with and without soft contact lenses and determine the factors associated with the displacement of the central ocular surface and intraocular pressure (IOP) reading changes caused by wearing soft contact lenses (CLs). One eye each in 21 subjects was studied. The cornea was photographed using a high-speed camera at 5,000 frames/sec during non-contact tonometry without contact lenses (NCL), with -5.0 diopters (D), -0.5 D and +5.0 D CL. The displacement of the ocular surface and the factors affecting displacement at the IOP reading and maximum displacement time were investigated. The IOP readings while wearing +5 D CL were significantly higher than those obtained while wearing -5 D CL. The ocular surface displacement between +5 D CL and other groups were significantly different. A significant positive correlation was found between the ocular surface displacement of subjects at the IOP reading time and the IOP obtained with the non-contact tonometer. A significant negative correlation was found between the ocular surface curvature and the IOP obtained using the non-contact tonometer. The radius of curvature of the ocular surface affected the displacement during the IOP reading and maximum displacement time. Our results indicate that soft contact lens use changes the ocular surface behavior and IOP readings during non-contact tonometry. The radius of curvature of the eye affects the ocular surface displacement and IOP readings in this situation.

Assessing the Availability of Wood Residues and Residue Markets in Virginia

OpenAIRE

Alderman, Delton R. Jr.

1998-01-01

A statewide mail survey of primary and secondary wood product manufacturers was undertaken to quantify the production and consumption of wood residues in Virginia. Two hundred and sixty-six wood product manufacturers responded to the study and they provided information on the production, consumption, markets, income or disposal costs, and disposal methods of wood residues. Hardwood and pine sawmills produce approximately 66 percent of Virginia's wood residues. Virginia's wood product man...

The evaluation of hierarchical structured superhydrophobic coatings for the alleviation of insect residue to aircraft laminar flow surfaces

Energy Technology Data Exchange (ETDEWEB)

Kok, Mariana [Department of Mechanical, Aeronautical and Biomedical Engineering, University of Limerick, Limerick (Ireland); Materials and Surface Science Institute, University of Limerick, Limerick (Ireland); Young, Trevor M., E-mail: Trevor.Young@ul.ie [Department of Mechanical, Aeronautical and Biomedical Engineering, University of Limerick, Limerick (Ireland); Materials and Surface Science Institute, University of Limerick, Limerick (Ireland)

2014-09-30

Surface contamination caused by insects on laminar flow wing surfaces causes a disruption of the flow, resulting in an increase in drag and fuel consumption. Consequently, the use of superhydrophobic coatings to mitigate insect residue adhesion was investigated. A range of hierarchical superhydrophobic coatings with different surface chemistry and topography was examined. Candidate coatings were characterized in terms of their morphology and hydrophobic properties by scanning electron microscopy (SEM) and static and dynamic contact angle measurements, respectively. Arithmetic mean surface roughness (R{sub a}) values were measured using profilometry. Only superhydrophobic coatings with a specific topography showed complete mitigation against insect residue adhesion. A surface which exhibited a specific microstructure (R{sub a} = 5.26 μm) combined with a low sliding angle (SA = 7.6°) showed the best anti-contamination properties. The dynamics of an insect impact event and its influence on the wetting and adhesion mechanisms of insect residue to a surface were discussed.

Radiation protection of people in contact with patient treated with metabolic radiotherapy using iodine-131 in nuclear medicine - case of the Laboratoire des Radio-Isotopes(LRI) Anpandrianomby

International Nuclear Information System (INIS)

RAMAROJAONA, H.

2008-01-01

In the aim to propose recommendations for radiation protection of those in contact with patients, simulations were performed for restricting the radiation hazards to the family and the members of the public coming into contact with a patient treated with 131 Iode for a thyroid pathology. The simulated dose constraint was 0,3 mSv for the family. According to the regulation in radiation protection in Madagascar, annual dose limit for the public is 1mSv and 20 mSv for the workers. Several contact patterns were tested: contact to the workers, daily visits, public transports, return to work, sleeping with partner and close contact with children. The recommendations duration was evaluated both as a function of the administered activity (out-patient) or the residual activity (discharged inpatient) by measuring the dose rate at 1 m distance from the patient. [fr

Predictive modelling of fatigue failure in concentrated lubricated contacts.

Science.gov (United States)

Evans, H P; Snidle, R W; Sharif, K J; Bryant, M J

2012-01-01

Reducing frictional losses in response to the energy agenda will require use of less viscous lubricants causing hydrodynamically-lubricated bearings to operate with thinner films leading to "mixed lubrication" conditions in which a degree of direct interaction occurs between surfaces protected only by boundary tribofilms. The paper considers the consequences of thinner films and mixed lubrication for concentrated contacts such as those occurring between the teeth of power transmission gears and in rolling element bearings. Surface fatigue in gears remains a serious problem in demanding applications, and its solution will become more pressing with the tendency towards thinner oils. The particular form of failure examined here is micropitting, which is identified as a fatigue phenomenon occurring at the scale of the surface roughness asperities. It has emerged recently as a systemic difficulty in the operation of large scale wind turbines where it occurs in both power transmission gears and their support bearings. Predictive physical modelling of these contacts requires a transient mixed lubrication analysis for conditions in which the predicted lubricant film thickness is of the same order or significantly less than the height of surface roughness features. Numerical solvers have therefore been developed which are able to deal with situations in which transient solid contacts occur between surface asperity features under realistic engineering conditions. Results of the analysis, which reveal the detailed time-varying behaviour of pressure and film clearance, have been used to predict fatigue and damage accumulation at the scale of surface asperity features with the aim of improving understanding of the micropitting phenomenon. The possible consequences on fatigue of residual stress fields resulting from plastic deformation of surface asperities is also considered.

High Performance Biological Pairwise Sequence Alignment: FPGA versus GPU versus Cell BE versus GPP

Directory of Open Access Journals (Sweden)

Khaled Benkrid

2012-01-01

Full Text Available This paper explores the pros and cons of reconfigurable computing in the form of FPGAs for high performance efficient computing. In particular, the paper presents the results of a comparative study between three different acceleration technologies, namely, Field Programmable Gate Arrays (FPGAs, Graphics Processor Units (GPUs, and IBM’s Cell Broadband Engine (Cell BE, in the design and implementation of the widely-used Smith-Waterman pairwise sequence alignment algorithm, with general purpose processors as a base reference implementation. Comparison criteria include speed, energy consumption, and purchase and development costs. The study shows that FPGAs largely outperform all other implementation platforms on performance per watt criterion and perform better than all other platforms on performance per dollar criterion, although by a much smaller margin. Cell BE and GPU come second and third, respectively, on both performance per watt and performance per dollar criteria. In general, in order to outperform other technologies on performance per dollar criterion (using currently available hardware and development tools, FPGAs need to achieve at least two orders of magnitude speed-up compared to general-purpose processors and one order of magnitude speed-up compared to domain-specific technologies such as GPUs.

constNJ: an algorithm to reconstruct sets of phylogenetic trees satisfying pairwise topological constraints.

Science.gov (United States)

Matsen, Frederick A

2010-06-01

This article introduces constNJ (constrained neighbor-joining), an algorithm for phylogenetic reconstruction of sets of trees with constrained pairwise rooted subtree-prune-regraft (rSPR) distance. We are motivated by the problem of constructing sets of trees that must fit into a recombination, hybridization, or similar network. Rather than first finding a set of trees that are optimal according to a phylogenetic criterion (e.g., likelihood or parsimony) and then attempting to fit them into a network, constNJ estimates the trees while enforcing specified rSPR distance constraints. The primary input for constNJ is a collection of distance matrices derived from sequence blocks which are assumed to have evolved in a tree-like manner, such as blocks of an alignment which do not contain any recombination breakpoints. The other input is a set of rSPR constraint inequalities for any set of pairs of trees. constNJ is consistent and a strict generalization of the neighbor-joining algorithm; it uses the new notion of maximum agreement partitions (MAPs) to assure that the resulting trees satisfy the given rSPR distance constraints.

Mutational properties of amino acid residues: implications for evolvability of phosphorylatable residues

DEFF Research Database (Denmark)

Creixell, Pau; Schoof, Erwin M.; Tan, Chris Soon Heng

2012-01-01

in terms of their mutational activity. Moreover, we highlight the importance of the genetic code and physico-chemical properties of the amino acid residues as likely causes of these inequalities and uncover serine as a mutational hot spot. Finally, we explore the consequences that these different......; it is typically assumed that all amino acid residues are equally likely to mutate or to result from a mutation. Here, by reconstructing ancestral sequences and computing mutational probabilities for all the amino acid residues, we refute this assumption and show extensive inequalities between different residues...... mutational properties have on phosphorylation site evolution, showing that a higher degree of evolvability exists for phosphorylated threonine and, to a lesser extent, serine in comparison with tyrosine residues. As exemplified by the suppression of serine's mutational activity in phosphorylation sites, our...

Surface feeding and aggressive behaviour of diploid and triploid brown trout Salmo trutta during allopatric pair-wise matchings.

Science.gov (United States)

Preston, A C; Taylor, J F; Adams, C E; Migaud, H

2014-09-01

Diploid and triploid brown trout Salmo trutta were acclimated for 6 weeks on two feeding regimes (floating and sinking). Thereafter, aggression and surface feeding response were compared between pairs of all diploid, all triploid and diploid and triploid S. trutta in an experimental stream. In each pair-wise matching, fish of similar size were placed in allopatry and rank was determined by the total number of aggressive interactions recorded. Dominant individuals initiated more aggression than subordinates, spent more time defending a territory and positioned themselves closer to the surface food source (Gammarus pulex), whereas subordinates occupied the peripheries. In cross ploidy trials, diploid S. trutta were more aggressive than triploid, and dominated their sibling when placed in pair-wise matchings. Surface feeding, however, did not differ statistically between ploidy irrespective of feeding regime. Triploids adopted a sneak feeding strategy while diploids expended more time defending a territory. In addition, we also tested whether triploids exhibit a similar social dominance to diploids when placed in allopatry. Although aggression was lower in triploid pairs than in the diploid and triploid pairs, a dominance hierarchy was also observed between individuals of the same ploidy. Dominant triploid fish were more aggressive and consumed more feed items than subordinate individuals. Subordinate fish displayed a darker colour index than dominant fish suggesting increased stress levels. Dominant triploid fish, however, appeared to be more tolerant of subordinate individuals and did not display the same degree of invasive aggression as seen in the diploid and diploid or diploid and triploid matchings. These novel findings suggest that sterile triploid S. trutta feed similarly but are less aggressive than diploid trout. Future studies should determine the habitat choice of triploid S. trutta after release and the interaction between wild fish and triploids during

Plant lock and ant key: pairwise coevolution of an exclusion filter in an ant-plant mutualism.

Science.gov (United States)

Brouat, C; Garcia, N; Andary, C; McKey, D

2001-10-22

Although observations suggest pairwise coevolution in specific ant-plant symbioses, coevolutionary processes have rarely been demonstrated. We report on, what is to the authors' knowledge, the strongest evidence yet for reciprocal adaptation of morphological characters in a species-specific ant-plant mutualism. The plant character is the prostoma, which is a small unlignified organ at the apex of the domatia in which symbiotic ants excavate an entrance hole. Each myrmecophyte in the genus Leonardoxa has evolved a prostoma with a different shape. By performing precise measurements on the prostomata of three related myrmecophytes, on their specific associated ants and on the entrance holes excavated by symbiotic ants at the prostomata, we showed that correspondence of the plant and ant traits forms a morphological and behavioural filter. We have strong evidence for coevolution between the dimensions and shape of the symbiotic ants and the prostoma in one of the three ant-Leonardoxa associations.

Effect of implanted doses of N+-ions on the contact resistance of copper contacts

International Nuclear Information System (INIS)

Dubravec, B.; Kovac, P.; Lipka, F.; Padysak, M.

1997-01-01

The paper deals with the effect of implanted doses of N + ions on the contact resistance. Dependencies of the contact resistance versus contact force R c =f(F c ) and microhardness of implanted surfaces were measured for three implanted profiles. The influence of the aggressive environs on the contact resistance of implanted contact is given too

DETERMINATION OF CONTACT STRESSES IN THE RAILS P50, WHICH ARE OPERATED IN THE METRO

Directory of Open Access Journals (Sweden)

O. V. Agarkov

2015-07-01

the causes of defects of the contact fatigue origin in the railway railhead. The presented models can be upgraded, including the residual stresses in the rails, hardening of the surface layer, and the presence of initial defects as a result of imperfections in the manufacturing process and others in the calculations.

GH32 family activity: a topological approach through protein contact networks.

Science.gov (United States)

Cimini, Sara; Di Paola, Luisa; Giuliani, Alessandro; Ridolfi, Alessandra; De Gara, Laura

2016-11-01

The application of Protein Contact Networks methodology allowed to highlight a novel response of border region between the two domains to substrate binding. Glycoside hydrolases (GH) are enzymes that mainly hydrolyze the glycosidic bond between two carbohydrates or a carbohydrate and a non-carbohydrate moiety. These enzymes are involved in many fundamental and diverse biological processes in plants. We have focused on the GH32 family, including enzymes very similar in both sequence and structure, each having however clear specificities of substrate preferences and kinetic properties. Structural and topological differences among proteins of the GH32 family have been here identified by means of an emerging approach (Protein Contact network, PCN) based on the formalization of 3D structures as contact networks among amino-acid residues. The PCN approach proved successful in both reconstructing the already known functional domains and in identifying the structural counterpart of the properties of GH32 enzymes, which remain uncertain, like their allosteric character. The main outcome of the study was the discovery of the activation upon binding of the border (cleft) region between the two domains. This reveals the allosteric nature of the enzymatic activity for all the analyzed forms in the GH32 family, a character yet to be highlighted in biochemical studies. Furthermore, we have been able to recognize a topological signature (graph energy) of the different affinity of the enzymes towards small and large substrates.

Electrical contacts principles and applications

CERN Document Server

Slade, Paul G

2013-01-01

Covering the theory, application, and testing of contact materials, Electrical Contacts: Principles and Applications, Second Edition introduces a thorough discussion on making electric contact and contact interface conduction; presents a general outline of, and measurement techniques for, important corrosion mechanisms; considers the results of contact wear when plug-in connections are made and broken; investigates the effect of thin noble metal plating on electronic connections; and relates crucial considerations for making high- and low-power contact joints. It examines contact use in switch

Enthalpic discrimination of homochiral pairwise interactions: Enantiomers of proline and hydroxyproline in (dimethyl formamide (DMF) + H2O) and (dimethylsulfoxide (DMSO) + H2O) mixtures at 298.15 K

International Nuclear Information System (INIS)

Hu, Xin-Gen; Liu, Jia-Min; Guo, Zheng; Liang, Hong-Yu; Jia, Zhao-Peng; Cheng, Wei-Na; Guo, Ai-Di; Zhang, He-Juan

2013-01-01

Highlights: • The h xx values of each α-amino acids decrease gradually with the mass fractions of cosolvents. • The absolute values of h xx of L-enantiomers are larger than D-enantiomers in the range w COS = 0 to 0.30. • The h xx values of the two proline enantiomers are all positive at each composition of mixed solvents. • When a hydrophilic hydroxyl group is introduced into proline enantiomers, the values of h xx become negative. -- Abstract: Dilution enthalpies of two pairs of α-amino acid enantiomers, namely L-proline vsD-proline, and L-hydroxyproline vsD-hydroxyproline, in water-rich regions of dimethyl formamide (DMF) + H 2 O and dimethylsulfoxide (DMSO) + H 2 O mixtures (mass fractions of cosolvents w COS = 0 to 0.30) have been determined respectively at 298.15 K by isothermal titration calorimetry (ITC). The successive values of dilution enthalpy obtained in a single run of ITC determination were used to calculate homochiral enthalpic pairwise interaction coefficients (h xx ) at the corresponding composition of mixed solvents according to the McMillan–Mayer’ statistical thermodynamic approach. The sign and magnitude of h xx were interpreted in terms of solute–solute interactions mediated by solvent and cosolvent molecules, and preferential configurations of homochiral pairwise interactions (L–L or D–D pairs) in aqueous solutions. The variations of h xx with w COS were considered to be dependent greatly on the competition equilibrium between hydrophobic and hydrophilic interactions, as well as the structural alteration of water caused by the two highly polar aprotic cosolvents (DMF and DMSO). Especially, it was found that when one of the two kinds of interactions (hydrophobic or hydrophilic interactions) preponderates over the other in solutions, enthalpic effect of homochiral pairwise interactions is always remarkable, and is characterized by a large absolute value of h xx , positive or negative, which corresponds respectively to the

Ocular surface displacement with and without contact lenses during non-contact tonometry.

Directory of Open Access Journals (Sweden)

Ulfah Rimayanti

Full Text Available PURPOSE: To evaluate the displacement of the central ocular surface during non-contact tonometry with and without soft contact lenses and determine the factors associated with the displacement of the central ocular surface and intraocular pressure (IOP reading changes caused by wearing soft contact lenses (CLs. METHODS: One eye each in 21 subjects was studied. The cornea was photographed using a high-speed camera at 5,000 frames/sec during non-contact tonometry without contact lenses (NCL, with -5.0 diopters (D, -0.5 D and +5.0 D CL. The displacement of the ocular surface and the factors affecting displacement at the IOP reading and maximum displacement time were investigated. RESULTS: The IOP readings while wearing +5 D CL were significantly higher than those obtained while wearing -5 D CL. The ocular surface displacement between +5 D CL and other groups were significantly different. A significant positive correlation was found between the ocular surface displacement of subjects at the IOP reading time and the IOP obtained with the non-contact tonometer. A significant negative correlation was found between the ocular surface curvature and the IOP obtained using the non-contact tonometer. The radius of curvature of the ocular surface affected the displacement during the IOP reading and maximum displacement time. CONCLUSIONS: Our results indicate that soft contact lens use changes the ocular surface behavior and IOP readings during non-contact tonometry. The radius of curvature of the eye affects the ocular surface displacement and IOP readings in this situation.

Effect of an absorbent overlay on the residual stress field induced by laser shock processing on aluminum samples

International Nuclear Information System (INIS)

Rubio-Gonzalez, C.; Gomez-Rosas, G.; Ocana, J.L.; Molpeceres, C.; Banderas, A.; Porro, J.; Morales, M.

2006-01-01

Laser shock processing (LSP) or laser shock peening is a new technique for strengthening metals. This process induces a compressive residual stress field, which increases fatigue crack initiation life and reduces fatigue crack growth rate. Specimens of 6061-T6 aluminum alloy are used in this investigation. A convergent lens is used to deliver 2.5 J, 8 ns laser pulses by a Q-switch Nd:YAG laser, operating at 10 Hz. The pulses are focused to a diameter of 1.5 mm onto aluminum samples. Density of 2500 pulses/cm 2 with infrared (1064 nm) radiation was used. The effect of an absorbent overlay on the residual stress field using this LSP setup and this energy level is evaluated. Residual stress distribution as a function of depth is assessed by the hole drilling method. It is observed that the overlay makes the compressive residual stress profile move to the surface. This effect is explained on the basis of the vaporization of the coat layer suppressing thermal effects on the metallic substrate. The effect of coating the specimen surface before LSP treatment may have advantages on improving wear and contact fatigue properties of this aluminum alloy

Proceedings of the 7. biennial residue-to-revenue residual wood conference 2007

International Nuclear Information System (INIS)

Raulin, J.

2007-01-01

This conference provided information on the highest and best use of residual wood, which is quickly becoming a valuable commodity. Issues concerning forest residues, sawmill wastes, agricultural residues and urban organic materials were discussed along with trends in Canadian surplus mill waste production. The evolving nature and technologies of the biomass business were highlighted with particular focus on how to generate energy and save money through the use of residual wood. Residual wood energy projects and developments in Canada, North America and Europe were outlined along with biomass development in relation to forest fires and insect disturbances. Cogeneration technologies using wood wastes for thermal heat, steam and electricity were also presented, along with transportation fuel technologies for the production of ethanol. It was noted that with the rising cost of energy, the forest industry is seeking energy solutions based on the use of residual wood. The range of economically practical residual wood solutions continues to grow as energy prices increase. The conference was attended by more than 200 delegates from the forest industry, suppliers and government representatives, to discuss policies and procedures currently in place. Industry investment is being stimulated by the potential for biofuels and biochemicals, as well as the co-operation between the forest and energy sectors. The conference featured 23 presentations, of which 12 have been catalogued separately for inclusion in this database. refs., tabs., figs

Negative intergroup contact is more influential, but positive intergroup contact is more common: Assessing contact prominence and contact prevalence in five Central European countries

Czech Academy of Sciences Publication Activity Database

Graf, Sylvie; Paolini, S.; Rubin, M.

2014-01-01

Roč. 44, č. 96 (2014), 536–547 ISSN 0046-2772 R&D Projects: GA ČR GA13-25656S Institutional support: RVO:68081740 Keywords : intergroup contact * negative contact * outgroup attitudes Subject RIV: AN - Psychology Impact factor: 1.712, year: 2014

Pesticide residues in grapes, wine, and their processing products.

Science.gov (United States)

Cabras, P; Angioni, A

2000-04-01

In this review the results obtained in the 1990s from research on the behavior of pesticide residues on grapes, from treatment to harvest, and their fate in drying, wine-making, and alcoholic beverage processing are reported. The fungicide residues on grapes (cyproconazole, hexaconazole, kresoxim-methyl, myclobutanil, penconazole, tetraconazole, and triadimenol), the application rates of which were of a few tens of grams per hectare, were very low after treatment and were not detectable at harvest. Pyrimethanil residues were constant up to harvest, whereas fluazinam, cyprodinil, mepanipyrim, azoxystrobin, and fludioxonil showed different disappearance rates (t(1/2) = 4.3, 12, 12.8, 15.2, and 24 days, respectively). The decay rate of the organophosphorus insecticides was very fast with t(1/2) ranging between 0.97 and 3.84 days. The drying process determined a fruit concentration of 4 times. Despite this, the residue levels of benalaxyl, phosalone, metalaxyl, and procymidone on sun-dried grapes equalled those on the fresh grape, whereas they were higher for iprodione (1.6 times) and lower for vinclozolin and dimethoate (one-third and one-fifth, respectively). In the oven-drying process, benalaxyl, metalaxyl, and vinclozolin showed the same residue value in the fresh and dried fruit, whereas iprodione and procymidone resides were lower in raisins than in the fresh fruit. The wine-making process begins with the pressing of grapes. From this moment onward, because the pesticide on the grape surface comes into contact with the must, it is in a biphasic system, made up of a liquid phase (the must) and a solid phase (cake and lees), and will be apportioned between the two phases. The new fungicides have shown no effect on alcoholic or malolactic fermentation. In some cases the presence of pesticides has also stimulated the yeasts, especially Kloeckera apiculata, to produce more alcohol. After fermentation, pesticide residues in wine were always smaller than those on the

A study of the influence of charged residues on β-hairpin formation by nuclear magnetic resonance and molecular dynamics.

Science.gov (United States)

Makowska, Joanna; Zmudzińska, Wioletta; Uber, Dorota; Chmurzyński, Lech

2014-12-01

Chain reversals are often nucleation sites in protein folding. The β-hairpins of FBP28 WW domain and IgG are stable and have been proved to initiate the folding and are, therefore, suitable for studying the influence of charged residues on β-hairpin conformation. In this paper, we carried out NMR examination of the conformations in solution of two fragments from the FPB28 protein (PDB code: 1E0L) (N-terminal part) namely KTADGKT-NH2 (1E0L 12-18, D7) and YKTADGKTY-NH2 (1E0L 11-19, D9), one from the B3 domain of the protein G (PDB code: 1IGD), namely DDATKT-NH2 (1IGD 51-56) (Dag1), and three variants of Dag1 peptide: DVATKT-NH2 (Dag2), OVATKT-NH2 (Dag3) and KVATKT-NH2 (Dag4), respectively, in which the original charged residue were replaced with non-polar residues or modified charged residues. It was found that both the D7 and D9 peptides form a large fraction bent conformations. However, no hydrophobic contacts between the terminal Tyr residues of D9 occur, which suggests that the presence of a pair of like-charged residues stabilizes chain reversal. Conversely, only the Dag1 and Dag2 peptides exhibit some chain reversal; replacing the second aspartic-acid residue with a valine and the first one with a basic residue results in a nearly extended conformation. These results suggest that basic residues farther away in sequence can result in stabilization of chain reversal owing to screening of the non-polar core. Conversely, smaller distance in sequence prohibits this screening, while the presence oppositely-charged residues can stabilize a turn because of salt-bridge formation.

Contact Angle Goniometer

Data.gov (United States)

Federal Laboratory Consortium — Description:The FTA32 goniometer provides video-based contact angle and surface tension measurement. Contact angles are measured by fitting a mathematical expression...

The steady-state tangential contact problem for a falling drop type of contact area on corrugated rail by simplified theory of rolling contact

Science.gov (United States)

Piotrowski, Jerzy

1991-10-01

Investigation of contact mechanical nonlinearities of a mathematical model of corrugation revealed that the typical shape of contact patch resembles a falling drop of water. A contact patch of that shape was approximated with a figure composed of two parts of ellipses with different eccentricities. The contact pressure distribution was assumed as a smoothing ensemble of two paraboloidal distributions. The description of a general case of double half elliptical contact area was given but a special case of double half elliptical contact is more interesting as it possesses some Hertzian properties. It was shown how three geometrical parameters of double half elliptical contact can be chosen when actual, non-Hertzian contact is known. A linear theory was written which indicates that the lateral vibrations of the rail may be excited only due to shape variation on corrugation even if any other cause for these vibrations does not exist. For nonlinear theory a computer program, based on FASTSIM algorithm by Kalker, was written. The aim is to calculate the creep forces and frictional power density distribution over the contact area. Also, a graphic program visualizing the solution was written. Numerical results are not provided; unattended and unsolved problems relevant for this type of contact are listed.

An argon ion beam milling process for native AlOx layers enabling coherent superconducting contacts

Science.gov (United States)

Grünhaupt, Lukas; von Lüpke, Uwe; Gusenkova, Daria; Skacel, Sebastian T.; Maleeva, Nataliya; Schlör, Steffen; Bilmes, Alexander; Rotzinger, Hannes; Ustinov, Alexey V.; Weides, Martin; Pop, Ioan M.

2017-08-01

We present an argon ion beam milling process to remove the native oxide layer forming on aluminum thin films due to their exposure to atmosphere in between lithographic steps. Our cleaning process is readily integrable with conventional fabrication of Josephson junction quantum circuits. From measurements of the internal quality factors of superconducting microwave resonators with and without contacts, we place an upper bound on the residual resistance of an ion beam milled contact of 50 mΩ μm2 at a frequency of 4.5 GHz. Resonators for which only 6% of the total foot-print was exposed to the ion beam milling, in areas of low electric and high magnetic fields, showed quality factors above 106 in the single photon regime, and no degradation compared to single layer samples. We believe these results will enable the development of increasingly complex superconducting circuits for quantum information processing.

78 FR 14549 - National Contact Center; Information Collection; National Contact Center Customer Evaluation Survey

Science.gov (United States)

2013-03-06

...] National Contact Center; Information Collection; National Contact Center Customer Evaluation Survey AGENCY... National Contact Center customer evaluation surveys. In this request, the previously approved surveys have... several months. These temporary surveys will allow the National Contact Center to compare its customer...

A contact angle hysteresis model based on the fractal structure of contact line.

Science.gov (United States)

Wu, Shuai; Ma, Ming

2017-11-01

Contact angle is one of the most popular concept used in fields such as wetting, transport and microfludics. In practice, different contact angles such as equilibrium, receding and advancing contact angles are observed due to hysteresis. The connection among these contact angles is important in revealing the chemical and physical properties of surfaces related to wetting. Inspired by the fractal structure of contact line, we propose a single parameter model depicting the connection of the three angles. This parameter is decided by the fractal structure of the contact line. The results of this model agree with experimental observations. In certain cases, it can be reduced to other existing models. It also provides a new point of view in understanding the physical nature of the contact angle hysteresis. Interestingly, some counter-intuitive phenomena, such as the binary receding angles, are indicated in this model, which are waited to be validated by experiments. Copyright © 2017 Elsevier Inc. All rights reserved.

Effects of vacuum heat treatment on the photoelectric work function and surface morphology of multilayered silver–metal electrical contacts

International Nuclear Information System (INIS)

Akbi, Mohamed; Bouchou, Aïssa; Zouache, Noureddine

2014-01-01

Contact materials used for electrical breakers are often made with silver alloys. Mechanical and thermodynamical properties as well as electron emission of such complicated alloys present a lack of reliable and accurate experimental data. This paper deals mainly with electron work function (EWF) measurements about silver–metal (Ag–Me) electrical contacts (Ag–Ni (60/40) and Ag–W (50/50)), before and after surface heat treatments at 513 K–873 K, under UHV conditions (residual gas pressure of 1.4 × 10 −7 mbar). The electron work function (EWF) of silver alloyed contacts was measured photoelectrically, using both Fowler's method of isothermal curves and linearized Fowler plots. An interesting fact brought to light by this investigation is that after vacuum heat treatments, the diffusion and/or evaporation phenomena, affecting the atomic composition of the alloy surface, somehow confine the EWF of the silver–nickel alloy, Φ(Ag–Ni), determined at room temperature in interval]Φ(Ag), Φ(Ni) [=] 4.26 eV, 4.51 eV[. Surface analysis of two specimens before and after heating showed a significant increase of tungsten atomic proportion on the contact surface for Ag–W contacts after VH treatments. A multilayer model, taking into account the strong intergranular and volume segregation gives a good interpretation of the obtained results.

Mechanical Contact Experiments and Simulations

DEFF Research Database (Denmark)

Nielsen, Chris Valentin; Martins, P; Zhang, W.

2011-01-01

Mechanical contact is studied under dynamic development by means of a combined numerical and experimental investigation. The experiments are designed to allow dynamical development of non-planar contact areas with significant expansion in all three directions as the load is increased. Different....... The overall investigation serves for testing and validating the numerical implementation of the mechanical contact, which is one of the main contributions to a system intended for 3D simulation of resistance welding. Correct modelling of contact between parts to be welded, as well as contact with electrodes......, is crucial for satisfactory modelling of the resistance welding process. The resistance heating at the contact interfaces depends on both contact area and pressure, and as the contact areas develop dynamically, the presented tests are relevant for assessing the validity and accuracy of the mechanical contact...

Crystal structure of the anti-(carcinoembryonic antigen) single-chain Fv antibody MFE-23 and a model for antigen binding based on intermolecular contacts.

Science.gov (United States)

Boehm, M K; Corper, A L; Wan, T; Sohi, M K; Sutton, B J; Thornton, J D; Keep, P A; Chester, K A; Begent, R H; Perkins, S J

2000-03-01

MFE-23 is the first single-chain Fv antibody molecule to be used in patients and is used to target colorectal cancer through its high affinity for carcinoembryonic antigen (CEA), a cell-surface member of the immunoglobulin superfamily. MFE-23 contains an N-terminal variable heavy-chain domain joined by a (Gly(4)Ser)(3) linker to a variable light-chain (V(L)) domain (kappa chain) with an 11-residue C-terminal Myc-tag. Its crystal structure was determined at 2.4 A resolution by molecular replacement with an R(cryst) of 19.0%. Five of the six antigen-binding loops, L1, L2, L3, H1 and H2, conformed to known canonical structures. The sixth loop, H3, displayed a unique structure, with a beta-hairpin loop and a bifurcated apex characterized by a buried Thr residue. In the crystal lattice, two MFE-23 molecules were associated back-to-back in a manner not seen before. The antigen-binding site displayed a large acidic region located mainly within the H2 loop and a large hydrophobic region within the H3 loop. Even though this structure is unliganded within the crystal, there is an unusually large region of contact between the H1, H2 and H3 loops and the beta-sheet of the V(L) domain of an adjacent molecule (strands DEBA) as a result of intermolecular packing. These interactions exhibited remarkably high surface and electrostatic complementarity. Of seven MFE-23 residues predicted to make contact with antigen, five participated in these lattice contacts, and this model for antigen binding is consistent with previously reported site-specific mutagenesis of MFE-23 and its effect on CEA binding.

Colored Contact Lens Dangers

Medline Plus

Full Text Available ... One Use Facts About Colored Contacts and Halloween Safety Colored Contact Lens Facts Over-the-Counter Costume ... Costume Contact Lenses Can Ruin Vision Eye Makeup Safety In fact, it is illegal to sell colored ...

Receding and advancing (CO_2 + brine + quartz) contact angles as a function of pressure, temperature, surface roughness, salt type and salinity

International Nuclear Information System (INIS)

Al-Yaseri, Ahmed Z.; Lebedev, Maxim; Barifcani, Ahmed; Iglauer, Stefan

2016-01-01

Highlights: • (Water + CO_2) contact angle on quartz increases substantially with pressure and salinity. • (Water + CO_2) contact angle on quartz increases slightly with temperature. • Surface roughness has only a minor influence on (water + CO_2 + quartz) contact angles. - Abstract: The wetting characteristics of CO_2 in rock are of vital importance in carbon geo-storage as they determine fluid dynamics and storage capacities. However, the current literature data has a high uncertainty, which translates into uncertain predictions in terms of containment security and economic project feasibility. We thus measured contact angles for the CO_2/water/quartz system at relevant reservoir conditions, and analysed the effects of pressure (0.1 to 20) MPa, temperature (296 to 343) K, surface roughness (56 to 1300) nm, salt type (NaCl, CaCl_2, and MgCl_2) and brine salinities (0 to 35) wt%. Water contact angles decreased with surface roughness, but increased with pressure, temperature, and brine salinity. Overall the contact angles were significantly increased at storage conditions (∼50°) when compared to ambient conditions (always 0°). Consequently quartz is weakly water-wet (not completely water-wet) at storage conditions, and structural and residual trapping capacities are reduced accordingly.

Solid residues

International Nuclear Information System (INIS)

Mulder, E.; Duin, P.J. van; Grootenboer, G.J.

1995-01-01

A summary is presented of the many investigations that have been done on solid residues of atmospheric fluid bed combustion (AFBC). These residues are bed ash, cyclone ash and bag filter ash. Physical and chemical properties are discussed and then the various uses of residues (in fillers, bricks, gravel, and for recovery of aluminium) are summarised. Toxicological properties of fly ash and stack ash are discussed as are risks of pneumoconiosis for workers handling fly ash, and contamination of water by ashes. On the basis of present information it is concluded that risks to public health from exposure to emissions of coal fly ash from AFBC appear small or negligible as are health risk to workers in the coal fly ash processing industry. 35 refs., 5 figs., 12 tabs

Estimating the Contact Endurance of the AISI 321 Stainless Steel Under Contact Gigacycle Fatigue Tests

Science.gov (United States)

Savrai, R. A.; Makarov, A. V.; Osintseva, A. L.; Malygina, I. Yu.

2018-02-01

Mechanical testing of the AISI 321 corrosion resistant austenitic steel for contact gigacycle fatigue has been conducted with the application of a new method of contact fatigue testing with ultrasonic frequency of loading according to a pulsing impact "plane-to-plane" contact scheme. It has been found that the contact endurance (the ability to resist the fatigue spalling) of the AISI 321 steel under contact gigacycle fatigue loading is determined by its plasticity margin and the possibility of additional hardening under contact loading. It is demonstrated that the appearance of localized deep and long areas of spalling on a material surface can serve as a qualitative characteristic for the loss of the fatigue strength of the AISI 321 steel under impact contact fatigue loading. The value of surface microhardness measured within contact spots and the maximum depth of contact damages in the peripheral zone of contact spots can serve as quantitative criteria for that purpose.

Colored Contact Lens Dangers

Medline Plus

Full Text Available ... One Use Facts About Colored Contacts and Halloween Safety Colored Contact Lens Facts Over-the-Counter Costume ... use of colored contact lenses , from the U.S. Food and Drug Administration (FDA). Are the colored lenses ...

Structural, Functional, and Metabolic Brain Markers Differentiate Collision versus Contact and Non-Contact Athletes.

Science.gov (United States)

Churchill, Nathan W; Hutchison, Michael G; Di Battista, Alex P; Graham, Simon J; Schweizer, Tom A

2017-01-01

There is growing concern about how participation in contact sports affects the brain. Retrospective evidence suggests that contact sports are associated with long-term negative health outcomes. However, much of the research to date has focused on former athletes with significant health problems. Less is known about the health of current athletes in contact and collision sports who have not reported significant medical issues. In this cross-sectional study, advanced magnetic resonance imaging (MRI) was used to evaluate multiple aspects of brain physiology in three groups of athletes participating in non-contact sports ( N  = 20), contact sports ( N  = 22), and collision sports ( N  = 23). Diffusion tensor imaging was used to assess white matter microstructure based on measures of fractional anisotropy (FA) and mean diffusivity (MD); resting-state functional MRI was used to evaluate global functional connectivity; single-voxel spectroscopy was used to compare ratios of neural metabolites, including N -acetyl aspartate (NAA), creatine (Cr), choline, and myo-inositol. Multivariate analysis revealed structural, functional, and metabolic measures that reliably differentiated between sport groups. The collision group had significantly elevated FA and reduced MD in white matter, compared to both contact and non-contact groups. In contrast, the collision group showed significant reductions in functional connectivity and the NAA/Cr metabolite ratio, relative to only the non-contact group, while the contact group overlapped with both non-contact and collision groups. For brain regions associated with contact sport participation, athletes with a history of concussion also showed greater alterations in FA and functional connectivity, indicating a potential cumulative effect of both contact exposure and concussion history on brain physiology. These findings indicate persistent differences in brain physiology for athletes participating in contact and collision sports

Evaluation of contact sensitivity to topical drugs in patients with contact dermatitis

Directory of Open Access Journals (Sweden)

Bilge Bülbül Şen

2013-03-01

Full Text Available Background and Design: Topical drugs are an important group of contact allergens. The present study aimed to evaluate contact sensitivity to topical drugs in patients with contact dermatitis. Materials and Methods: Between 2003 and 2008, 129 patients were followed up at the Department of Dermatology at Ankara University School of Medicine with clinically suspected contact sensitivity to topical drugs. In this study, the patch test reactions to the European Standard Battery and topical drugs used by the patients and medicament patch test results were evaluated. Results: Positive patch test reaction to one or more allergens was found in 80 (62.0% of 129 patients included in the study. Sixty-one of the 80 patients (61/129, 47.3% had positive patch test reaction to medicaments. Medicament sensitivity was detected in 37.9% (49/129 of subjects. Nitrofurazone was found to be the most common allergen (18.6%. Discussion: The present study showed that topical drugs are a frequent cause of allergic contact dermatitis. Therefore, the probability of contact sensitivity to topical drugs should also be considered in patients with the clinical diagnosis of allergic contact dermatitis and, suspected cases should be evaluated further with patch testing in order to find the responsible allergens.

Synchrotron X-ray measurement of residual strain within the nose of a worn manganese steel railway crossing

Science.gov (United States)

Dhar, S.; Zhang, Y.; Xu, R.; Danielsen, HK; Jensen, D. Juul

2017-07-01

Switches and crossings are an integral part of any railway network. Plastic deformation associated with wear and rolling contact fatigue due to repeated passage of trains cause severe damage leading to the formation of surface and sub-surface cracks which ultimately may result in rail failure. Knowledge of the internal stress distribution adds to the understanding of crack propagation and may thus help to prevent catastrophic rail failures. In this work, the residual strains inside the bulk of a damaged nose of a manganese railway crossing that was in service for five years has been investigated by using differential aperture synchrotron X-ray diffraction. The main purpose of this paper is to describe how this method allows non-destructive measurement of residual strains in selected local volumes in the bulk of the rail. Measurements were conducted on the transverse surface at a position about 6.5 mm from the rail running surface of a crossing nose. The results revealed the presence of significant compressive residual strains along the running direction of the rail.

Influence of the temperature, volume and type of solution in the mercury vaporization of dental amalgam residue

Energy Technology Data Exchange (ETDEWEB)

Costa, Raquel dalla [Department of Chemical Engineering, State University of Maringa, Maringa - PR (Brazil)], E-mail: raqueldc_eng@yahoo.com.br; Cossich, Eneida Sala; Tavares, Celia Regina Granhen [Department of Chemical Engineering, State University of Maringa, Maringa - PR (Brazil)

2008-12-15

One of the qualitative methods for the identification of mercury vapor is what it occurs as a way of chemical reaction between palladium chloride and metallic mercury. Palladium chloride ribbons with yellowish coloration put in contact with the vaporized mercury of dental amalgam residue, liberates palladium and forms mercury chloride in your surface, and starts to have black coloration; this form identify the presence of the mercury vapor in the system. This work studies the influence of temperature, volume and type of barrier-solution in the vaporization of mercury during the period of storage of dental amalgam residues, aiming to establish the best conditions for storage of these residues. It was found that for all tested solutions, the longest storage times without any occurrence of mercury vaporization were obtained in the lowest temperatures tested and the largest solution volumes of barrier-solution. The radiographic effluent presented bigger efficacy in the reduction of the volatilization, increasing the period when the residue was stored, however the analysis of this solution after the vaporization test showed the presence of organic mercury. These results show that water is the most efficient barrier against the vaporization of mercury, since it did not result in organic mercury formation in the effluent solution from the storage process.

Influence of the temperature, volume and type of solution in the mercury vaporization of dental amalgam residue

International Nuclear Information System (INIS)

Costa, Raquel dalla; Cossich, Eneida Sala; Tavares, Celia Regina Granhen

2008-01-01

One of the qualitative methods for the identification of mercury vapor is what it occurs as a way of chemical reaction between palladium chloride and metallic mercury. Palladium chloride ribbons with yellowish coloration put in contact with the vaporized mercury of dental amalgam residue, liberates palladium and forms mercury chloride in your surface, and starts to have black coloration; this form identify the presence of the mercury vapor in the system. This work studies the influence of temperature, volume and type of barrier-solution in the vaporization of mercury during the period of storage of dental amalgam residues, aiming to establish the best conditions for storage of these residues. It was found that for all tested solutions, the longest storage times without any occurrence of mercury vaporization were obtained in the lowest temperatures tested and the largest solution volumes of barrier-solution. The radiographic effluent presented bigger efficacy in the reduction of the volatilization, increasing the period when the residue was stored, however the analysis of this solution after the vaporization test showed the presence of organic mercury. These results show that water is the most efficient barrier against the vaporization of mercury, since it did not result in organic mercury formation in the effluent solution from the storage process

Dermatitis, contact (image)

Science.gov (United States)

This picture shows a skin inflammation (dermatitis) caused by contact with a material that causes an allergic reaction in this person. Contact dermatitis is a relatively common condition, and can be caused ...

[News on occupational contact dermatitis].

Science.gov (United States)

Crépy, Marie-Noëlle; Bensefa-Colas, Lynda

2014-03-01

Contact dermatitis--irritant contact dermatitis, allergic contact dermatitis and protein contact dermatitis--are the most common occupational skin diseases, most often localized to the hands. Contact urticaria is rarer The main occupational irritants are wet work, detergents and disinfectants, cutting oils, and solvents. The main occupational allergens are rubber additives, metals (chromium, nickel, cobalt), plastics (epoxy resins, acrylic), biocides and plants. Diagnosis is based on clinical examination, medical history and allergy testing. For a number of irritating or sensitizing agents, irritant or allergic dermatitis can be notified as occupational diseases. The two main prevention measures are reducing skin contact with irritants and complete avoidance of skin contact with offending allergens.

Lettuce contact allergy.

Science.gov (United States)

Paulsen, Evy; Andersen, Klaus E

2016-02-01

Lettuce (Lactuca sativa L.) and its varieties are important vegetable crops worldwide. They are also well-known, rarely reported, causes of contact allergy. As lettuce allergens and extracts are not commercially available, the allergy may be underdiagnosed. The aims of this article are to present new data on lettuce contact allergy and review the literature. Lettuce is weakly allergenic, and occupational cases are mainly reported. Using aimed patch testing in Compositae-allergic patients, two recent Danish studies showed prevalence rates of positive lettuce reactions of 11% and 22%. The majority of cases are non-occupational, and may partly be caused by cross-reactivity. The sesquiterpene lactone mix seems to be a poor screening agent for lettuce contact allergy, as the prevalence of positive reactions is significantly higher in non-occupationally sensitized patients. Because of the easy degradability of lettuce allergens, it is recommended to patch test with freshly cut lettuce stem and supplement this with Compositae mix. As contact urticaria and protein contact dermatitis may present as dermatitis, it is important to perform prick-to-prick tests, and possibly scratch patch tests as well. Any person who is occupationally exposed to lettuce for longer periods, especially atopics, amateur gardeners, and persons keeping lettuce-eating pets, is potentially at risk of developing lettuce contact allergy. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Molybdenum recovery from aqueous residual solutions resulted in uranium ores processing

International Nuclear Information System (INIS)

Stoica, L.; Jitaru, I.; Razvan, A.; Georgescu, D.; Petrescu, S.; Filip, D.

1998-01-01

The paper represents a comparative study regarding the Mo(VI) separation from residual aqueous systems, applying two methods adsorption of Mo(VI) on ferric hydroxide support followed by the flotation of insoluble species in dissolved air flotation variant (DAF); Mo (VI) adsorption on activated carbon. The Mo(VI) ions separation by dissolved air flotation followed the main factors which influence the separation yield such as: the adsorbent nature, pH, the nature and the collector concentration, initial Mo(VI) concentration and the Mo(VI)-adsorbent support-collector interaction The Mo(VI) adsorption on activated carbon was made following the influence of different factors such as: pH, initial Mo(VI), concentration, contact time and specific inflow. (orig.)

Mixed Lubricated Line Contacts

NARCIS (Netherlands)

Faraon, I.C.

2005-01-01

The present work deals with friction in mixed lubricated line contacts. Components in systems are becoming smaller and due to, for instance power transmitted, partial contact may occur. In industrial applications, friction between the moving contacting surfaces cannot be avoided, therefore it is

New Cosmetic Contact Allergens

Directory of Open Access Journals (Sweden)

An Goossens

2015-02-01

Full Text Available Allergic and photo-allergic contact dermatitis, and immunologic contact urticaria are potential immune-mediated adverse effects from cosmetics. Fragrance components and preservatives are certainly the most frequently observed allergens; however, all ingredients must be considered when investigating for contact allergy.

Contact and symplectic topology

CERN Document Server

Colin, Vincent; Stipsicz, András

2014-01-01

Symplectic and contact geometry naturally emerged from the mathematical description of classical physics. The discovery of new rigidity phenomena and properties satisfied by these geometric structures launched a new research field worldwide. The intense activity of many European research groups in this field is reflected by the ESF Research Networking Programme "Contact And Symplectic Topology" (CAST). The lectures of the Summer School in Nantes (June 2011) and of the CAST Summer School in Budapest (July 2012) provide a nice panorama of many aspects of the present status of contact and symplectic topology. The notes of the minicourses offer a gentle introduction to topics which have developed in an amazing speed in the recent past. These topics include 3-dimensional and higher dimensional contact topology, Fukaya categories, asymptotically holomorphic methods in contact topology, bordered Floer homology, embedded contact homology, and flexibility results for Stein manifolds.

Follicular contact dermatitis revisited: A review emphasizing neomycin-associated follicular contact dermatitis

Science.gov (United States)

Cohen, Philip R

2014-01-01

Follicular contact dermatitis clinically presents as individual papules that include a central hair follicle. Pathologic features involve the follicle and the surrounding dermis: spongiosis and vesicle formation of the follicular epithelium associated with perifollicular and perivascular lymphocytic inflammation. Using the PubMed database, an extensive literature search was performed on follicular contact dermatitis and neomycin. Relevant papers were reviewed and the clinical and pathologic features, the associated chemicals (including a more detailed description of neomycin), the hypothesized pathogenesis, and the management of follicular contact dermatitis were described. Several agents-either as allergens or irritants-have been reported to elicit follicular contact dermatitis. Several hypotheses have been suggested for the selective involvement of the follicles in follicular contact dermatitis: patient allergenicity, characteristics of the agent, vehicle containing the agent, application of the agent, and external factors. The differential diagnosis of follicular contact dermatitis includes not only recurrent infundibulofolliculitis, but also drug eruption, mite infestation, viral infection, and dermatoses that affect hair follicles. The primary therapeutic intervention for follicular contact dermatitis is withdrawal of the causative agent; treatment with a topical corticosteroid preparation may also promote resolution of the dermatitis. In conclusion, follicular contact dermatitis may be secondary to allergens or irritants; topical antibiotics, including neomycin, may cause this condition. Several factors may account for the selective involvement of the hair follicle in this condition. Treatment of the dermatitis requires withdrawal of the associated topical agent; in addition, topical corticosteroids may be helpful to promote resolution of lesions. PMID:25516854

Contact materials for nanoelectronics

KAUST Repository

Alshareef, Husam N.

2011-02-01

In this article, we review current research activities in contact material development for electronic and nanoelectronic devices. A fundamental issue in contact materials research is to understand and control interfacial reactions and phenomena that modify the expected device performance. These reactions have become more challenging and more difficult to control as new materials have been introduced and as device sizes have entered the deep nanoscale. To provide an overview of this field of inquiry, this issue of MRS Bulletin includes articles on gate and contact materials for Si-based devices, junction contact materials for Si-based devices, and contact materials for alternate channel substrates (Ge and III-V), nanodevices. © 2011 Materials Research Society.

Simulation of residual stresses and deformations in electron beam-welded copper canisters

International Nuclear Information System (INIS)

Aronen, A.; Leikko, J.; Taskinen, P.; Karvinen, R.

2013-07-01

This report presents the modelling of residual stresses and deformations of an EB-welded copper canister. Two different mock-up lengths are modelled with the Abaqus FEA program, and the similarity of those results is studied. Canister mock-ups of 450 mm and 915 mm were chosen for the test cases. The heat treatment results presented in Taskinen 2009 are used as input data for the mechanical model. For the mechanical analysis some simplifications were made to the model. The contact surface between pipe and lid is assumed to be tied and support from the bottom surface is provided with four support points. Results show that, due to the similarity of 450 mm and 915 mm canisters, the short mock-up can be used to predict the stresses and deformation on a full-length canister (5000 mm). The similarity of the temperature fields has already been shown in the previous reports (Taskinen 2009). The main result in the deformation is the shape of the canister in the residual state. The top of the canister tries to shrink, resulting in the lid buckling inwards. The deformation of the lid of the canister is about 2.2 mm at the centre of the lid. The main results in the stresses are the stress level on the surface, the deviation of stresses over the circle and the stresses near the welding. On the surface there are areas where the circumferential stress is at tension. However, radial and axial stresses are usually in compression on the surface. The deviation of the stress level over the circle is quite small, except in the overlap area and near it. The residual stresses from 0 deg C to 45 deg C change remarkably, but over the rest of the area the stresses are more constant. Near the welding the stresses on the top surface are in compression, but in the centre of the welding the stresses are in tension. In the modelling, the possibility of calculating a mechanical model with the contact surface between pipe and lid, so that they could be separated during the welding, was also tested

Simulation of residual stresses and deformations in electron beam-welded copper canisters

Energy Technology Data Exchange (ETDEWEB)

Aronen, A.; Leikko, J.; Taskinen, P.; Karvinen, R. [Tampere Univ. of Technology (Finland)

2013-07-15

This report presents the modelling of residual stresses and deformations of an EB-welded copper canister. Two different mock-up lengths are modelled with the Abaqus FEA program, and the similarity of those results is studied. Canister mock-ups of 450 mm and 915 mm were chosen for the test cases. The heat treatment results presented in Taskinen 2009 are used as input data for the mechanical model. For the mechanical analysis some simplifications were made to the model. The contact surface between pipe and lid is assumed to be tied and support from the bottom surface is provided with four support points. Results show that, due to the similarity of 450 mm and 915 mm canisters, the short mock-up can be used to predict the stresses and deformation on a full-length canister (5000 mm). The similarity of the temperature fields has already been shown in the previous reports (Taskinen 2009). The main result in the deformation is the shape of the canister in the residual state. The top of the canister tries to shrink, resulting in the lid buckling inwards. The deformation of the lid of the canister is about 2.2 mm at the centre of the lid. The main results in the stresses are the stress level on the surface, the deviation of stresses over the circle and the stresses near the welding. On the surface there are areas where the circumferential stress is at tension. However, radial and axial stresses are usually in compression on the surface. The deviation of the stress level over the circle is quite small, except in the overlap area and near it. The residual stresses from 0 deg C to 45 deg C change remarkably, but over the rest of the area the stresses are more constant. Near the welding the stresses on the top surface are in compression, but in the centre of the welding the stresses are in tension. In the modelling, the possibility of calculating a mechanical model with the contact surface between pipe and lid, so that they could be separated during the welding, was also tested

Contact Lens-Related Eye Infections

Science.gov (United States)

... Español Eye Health / Eye Health A-Z Contact Lens-Related Eye Infections Sections Contact Lens-Related Eye ... Six Steps to Avoid Contact Lens Infections Contact Lens-Related Eye Infections Leer en Español: Infecciones relacionadas ...

Are diverse societies less cohesive? Testing contact and mediated contact theories.

Science.gov (United States)

McKenna, Sarah; Lee, Eunro; Klik, Kathleen A; Markus, Andrew; Hewstone, Miles; Reynolds, Katherine J

2018-01-01

Previous research has demonstrated that there is a negative relationship between ethnic diversity in a local community and social cohesion. Often the way social cohesion is assessed, though, varies across studies and only some aspects of the construct are included (e.g., trust). The current research explores the relationship between diversity and social cohesion across a number of indicators of social cohesion including neighbourhood social capital, safety, belonging, generalized trust, and volunteering. Furthermore, social psychological theories concerning the role of positive contact and its impact on feelings of threat are investigated. Using a sample of 1070 third generation 'majority' Australians and structural equation modelling (SEM), findings suggest ethnic diversity is related to positive intergroup contact, and that contact showed beneficial impacts for some indicators of social cohesion both directly and indirectly through reducing perceived threat. When interethnic contact and perceived threat are included in the model there is no direct negative effect between diversity and social cohesion. The theoretical implications of these findings are outlined including the importance of facilitating opportunities for positive contact in diverse communities.

Handling of Solid Residues

International Nuclear Information System (INIS)

Medina Bermudez, Clara Ines

1999-01-01

The topic of solid residues is specifically of great interest and concern for the authorities, institutions and community that identify in them a true threat against the human health and the atmosphere in the related with the aesthetic deterioration of the urban centers and of the natural landscape; in the proliferation of vectorial transmitters of illnesses and the effect on the biodiversity. Inside the wide spectrum of topics that they keep relationship with the environmental protection, the inadequate handling of solid residues and residues dangerous squatter an important line in the definition of political and practical environmentally sustainable. The industrial development and the population's growth have originated a continuous increase in the production of solid residues; of equal it forms, their composition day after day is more heterogeneous. The base for the good handling includes the appropriate intervention of the different stages of an integral administration of residues, which include the separation in the source, the gathering, the handling, the use, treatment, final disposition and the institutional organization of the administration. The topic of the dangerous residues generates more expectation. These residues understand from those of pathogen type that are generated in the establishments of health that of hospital attention, until those of combustible, inflammable type, explosive, radio-active, volatile, corrosive, reagent or toxic, associated to numerous industrial processes, common in our countries in development

Focusing on Contact Lens Safety

Science.gov (United States)

... their practices. Decorative contacts (also called “costume,” colored,” “fashion,” or “plano” contacts). The FDA has often warned ... Lenses Decorative Contact Lenses Hydrogen Peroxide Solution Related Consumer Updates 'Colored' and Decorative Contact Lenses: A Prescription ...

Contact-impact algorithms on parallel computers

International Nuclear Information System (INIS)

Zhong Zhihua; Nilsson, Larsgunnar

1994-01-01

Contact-impact algorithms on parallel computers are discussed within the context of explicit finite element analysis. The algorithms concerned include a contact searching algorithm and an algorithm for contact force calculations. The contact searching algorithm is based on the territory concept of the general HITA algorithm. However, no distinction is made between different contact bodies, or between different contact surfaces. All contact segments from contact boundaries are taken as a single set. Hierarchy territories and contact territories are expanded. A three-dimensional bucket sort algorithm is used to sort contact nodes. The defence node algorithm is used in the calculation of contact forces. Both the contact searching algorithm and the defence node algorithm are implemented on the connection machine CM-200. The performance of the algorithms is examined under different circumstances, and numerical results are presented. ((orig.))

Direct measurement of graphene contact resistivity to pre-deposited metal in buried contact test structure

KAUST Repository

Qaisi, Ramy M.; Smith, Casey; Ghoneim, Mohamed T.; Yu, Qingkai; Hussain, Muhammad Mustafa

2013-01-01

We demonstrate a buried contact based novel test structure for direct contact resistivity measurement of graphene-metal interfaces. We also observe excellent contact resistivity 1 μO-cm2 without any additional surface modification suggesting that the intrinsic Au-graphene contact is sufficient for achieving devices with low contact resistance. The chemical mechanical polishing less test structure and data described herein highlights an ideal methodology for systematic screening and engineering of graphene-metal contact resistivity to enable low power high speed carbon electronics. © 2013 IEEE.

Direct measurement of graphene contact resistivity to pre-deposited metal in buried contact test structure