The Construct Validity of Higher Order Structure-of-Intellect Factors Reflecting Semantic and Symbolic Content Abilities.

ERIC Educational Resources Information Center

Khattab, Ali-Maher; Michael, William B.

1986-01-01

Based on reanalyses of correlational data obtained from the University of Southern California Aptitudes Research Project, this investigation examined the extent to which two higher order factors of semantic content and symbolic content form Guilford's structure-of-intellect model reflected distinct constructs. (Author/LMO)

Reliability-based econometrics of aerospace structural systems: Design criteria and test options. Ph.D. Thesis - Georgia Inst. of Tech.

NASA Technical Reports Server (NTRS)

Thomas, J. M.; Hanagud, S.

1974-01-01

The design criteria and test options for aerospace structural reliability were investigated. A decision methodology was developed for selecting a combination of structural tests and structural design factors. The decision method involves the use of Bayesian statistics and statistical decision theory. Procedures are discussed for obtaining and updating data-based probabilistic strength distributions for aerospace structures when test information is available and for obtaining subjective distributions when data are not available. The techniques used in developing the distributions are explained.

Relationship between lignin structure and delignification degree in Pinus pinaster kraft pulps.

PubMed

Baptista, C; Robert, D; Duarte, A P

2008-05-01

This study examines the structure of residual and dissolved lignins from Pinus pinaster pulps obtained at different degrees of delignification by laboratory conventional kraft pulping. The cooking H factor was varied from 85 to 8049. The residual and dissolved lignin samples were characterised by elemental analysis, residual carbohydrate content, permanganate oxidation and 13C NMR spectroscopy. The reflectance factor of the pulps was also determined in order to tentatively correlate the delignification degree and residual lignin structure with the pulp colour. The obtained results confirmed that the delignification degree increases the condensation of the lignin structure, which might have an influence upon the observed increased pulp colour. The lack of selectivity of kraft pulping process in the case of more delignified pulps was also shown.

Factor analysis and Mokken scaling of the Organizational Commitment Questionnaire in nurses.

PubMed

Al-Yami, M; Galdas, P; Watson, R

2018-03-22

To generate an Arabic version of the Organizational Commitment Questionnaire that would be easily understood by Arabic speakers and would be sensitive to Arabic culture. The nursing workforce in Saudi Arabia is undergoing a process of Saudization but there is a need to understand the factors that will help to retain this workforce. No organizational commitment tools exist in Arabic that are specifically designed for health organizations. An Arabic version of the organizational commitment tool could aid Arabic speaking employers to understand their employees' perceptions of their organizations. Translation and back-translation followed by factor analysis (principal components analysis and confirmatory factor analysis) to test the factorial validity and item response theory (Mokken scaling). A two-factor structure was obtained for the Organizational Commitment Questionnaire comprising Factor 1: Value commitment; and Factor 2: Commitment to stay with acceptable reliability measured by internal consistency. A Mokken scale was obtained including items from both factors showing a hierarchy of items running from commitment to the organization and commitment to self. This study shows that the Arabic version of the OCQ retained the established two-factor structure of the original English-language version. Although the two factors - 'value commitment' and 'commitment to stay' - repudiate the original developers' single factor claim. A useful insight into the structure of the Organizational Commitment Questionnaire has been obtained with the novel addition of a hierarchical scale. The Organizational Commitment Questionnaire is now ready to be used with nurses in the Arab speaking world and could be used a tool to measure the contemporary commitment of nursing employees and in future interventions aimed at increasing commitment and retention of valuable nursing staff. © 2018 International Council of Nurses.

Correlation between protein sequence similarity and x-ray diffraction quality in the protein data bank.

PubMed

Lu, Hui-Meng; Yin, Da-Chuan; Ye, Ya-Jing; Luo, Hui-Min; Geng, Li-Qiang; Li, Hai-Sheng; Guo, Wei-Hong; Shang, Peng

2009-01-01

As the most widely utilized technique to determine the 3-dimensional structure of protein molecules, X-ray crystallography can provide structure of the highest resolution among the developed techniques. The resolution obtained via X-ray crystallography is known to be influenced by many factors, such as the crystal quality, diffraction techniques, and X-ray sources, etc. In this paper, the authors found that the protein sequence could also be one of the factors. We extracted information of the resolution and the sequence of proteins from the Protein Data Bank (PDB), classified the proteins into different clusters according to the sequence similarity, and statistically analyzed the relationship between the sequence similarity and the best resolution obtained. The results showed that there was a pronounced correlation between the sequence similarity and the obtained resolution. These results indicate that protein structure itself is one variable that may affect resolution when X-ray crystallography is used.

Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries

NASA Astrophysics Data System (ADS)

Yu, Haoyu S.; Fiedler, Lucas J.; Alecu, I. M.; Truhlar, Donald G.

2017-01-01

We present a Python program, FREQ, for calculating the optimal scale factors for calculating harmonic vibrational frequencies, fundamental vibrational frequencies, and zero-point vibrational energies from electronic structure calculations. The program utilizes a previously published scale factor optimization model (Alecu et al., 2010) to efficiently obtain all three scale factors from a set of computed vibrational harmonic frequencies. In order to obtain the three scale factors, the user only needs to provide zero-point energies of 15 or 6 selected molecules. If the user has access to the Gaussian 09 or Gaussian 03 program, we provide the option for the user to run the program by entering the keywords for a certain method and basis set in the Gaussian 09 or Gaussian 03 program. Four other Python programs, input.py, input6, pbs.py, and pbs6.py, are also provided for generating Gaussian 09 or Gaussian 03 input and PBS files. The program can also be used with data from any other electronic structure package. A manual of how to use this program is included in the code package.

Validity Generalization of the WISC-R Factor Structure with 10 1/2-Year-Old Children.

ERIC Educational Resources Information Center

Shiek, David A.; Miller, John E.

1978-01-01

Investigated robustness of the Wechsler Intelligence Scale for Children-Revised (WISC-R) factor structure. Comparisons of the loadings obtained with generalization sample and 10 1/2-year-old national standardization sample suggest high degree of similarity in composition, magnitude, and pattern. Findings highly support robustness of WISC-R's…

Fractal analysis and its impact factors on pore structure of artificial cores based on the images obtained using magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Wang, Heming; Liu, Yu; Song, Yongchen; Zhao, Yuechao; Zhao, Jiafei; Wang, Dayong

2012-11-01

Pore structure is one of important factors affecting the properties of porous media, but it is difficult to describe the complexity of pore structure exactly. Fractal theory is an effective and available method for quantifying the complex and irregular pore structure. In this paper, the fractal dimension calculated by box-counting method based on fractal theory was applied to characterize the pore structure of artificial cores. The microstructure or pore distribution in the porous material was obtained using the nuclear magnetic resonance imaging (MRI). Three classical fractals and one sand packed bed model were selected as the experimental material to investigate the influence of box sizes, threshold value, and the image resolution when performing fractal analysis. To avoid the influence of box sizes, a sequence of divisors of the image was proposed and compared with other two algorithms (geometric sequence and arithmetic sequence) with its performance of partitioning the image completely and bringing the least fitted error. Threshold value selected manually and automatically showed that it plays an important role during the image binary processing and the minimum-error method can be used to obtain an appropriate or reasonable one. Images obtained under different pixel matrices in MRI were used to analyze the influence of image resolution. Higher image resolution can detect more quantity of pore structure and increase its irregularity. With benefits of those influence factors, fractal analysis on four kinds of artificial cores showed the fractal dimension can be used to distinguish the different kinds of artificial cores and the relationship between fractal dimension and porosity or permeability can be expressed by the model of D = a - bln(x + c).

[Dimensions of Empathy in Ex-Combatants of the Colombian Armed Conflict Using a Standardized Scale].

PubMed

Pineda, David A; Aguirre-Acevedo, Daniel Camilo; Trujillo, Natalia; Valencia, Ana María; Pareja, Ángela; Tobón, Carlos; Velilla, Lina; Ibáñez, Agustín

2013-03-01

Empathy is one of the main concepts of in social neurosciences. It is defined as a trait with multiple dimensions allowing individuals to place themselves in the emotional states of others. Colombia has an irregular, internal and long-lasting armed conflict which has been increasing its cruelty levels. to assess the empathy dimensions of 285 ex-combatants from the internal Colombian conflict, using the Interpersonal Reactivity Index(IRI) in Spanish. METHODOLOGY AND SUBJECTS: a sample of 285 male ex-combatants, 241 (84, 6%) males: 85,3% paramilitaries, and 14,7% guerillas. The 28 Item IRI questionnaires were administered. 3 exploratory factor analyses (EFA) were performed. Confirmatory factor analyses (CFA) were developed using structural equation procedures. The first EFA obtained 9 factors (KMO=0,74, variance 54,7% and internal consistency (IC): 0,22 - 0,63). The second EFA produced 20 items with burdens above 0,4 and showed a 6-factor structure (KMO=0,70, variance 50,3%, IC: 0,37 - 0,63). The third EFA forced the 4 original IRI dimensions (KMO=0,74, variance 33,77, IC: 0,44 - 0,77. CFAs showed goodness of adjustment indexes adequate for the three models. The 4-factor model obtained the lowest value, while the 6-factor model obtained the highest. The 4- factor model showed the best IC. The Spanish IRI administered to ex-combatants of the Colombian conflict has possible structures of 4, 6 and 9 factors. The best adjustment was for the 6-fctor. The 4-factor model exhibited the best IC. Copyright © 2013 Asociación Colombiana de Psiquiatría. Publicado por Elsevier España. All rights reserved.

Hierarchical and coupling model of factors influencing vessel traffic flow.

PubMed

Liu, Zhao; Liu, Jingxian; Li, Huanhuan; Li, Zongzhi; Tan, Zhirong; Liu, Ryan Wen; Liu, Yi

2017-01-01

Understanding the characteristics of vessel traffic flow is crucial in maintaining navigation safety, efficiency, and overall waterway transportation management. Factors influencing vessel traffic flow possess diverse features such as hierarchy, uncertainty, nonlinearity, complexity, and interdependency. To reveal the impact mechanism of the factors influencing vessel traffic flow, a hierarchical model and a coupling model are proposed in this study based on the interpretative structural modeling method. The hierarchical model explains the hierarchies and relationships of the factors using a graph. The coupling model provides a quantitative method that explores interaction effects of factors using a coupling coefficient. The coupling coefficient is obtained by determining the quantitative indicators of the factors and their weights. Thereafter, the data obtained from Port of Tianjin is used to verify the proposed coupling model. The results show that the hierarchical model of the factors influencing vessel traffic flow can explain the level, structure, and interaction effect of the factors; the coupling model is efficient in analyzing factors influencing traffic volumes. The proposed method can be used for analyzing increases in vessel traffic flow in waterway transportation system.

Hierarchical and coupling model of factors influencing vessel traffic flow

PubMed Central

Liu, Jingxian; Li, Huanhuan; Li, Zongzhi; Tan, Zhirong; Liu, Ryan Wen; Liu, Yi

2017-01-01

Understanding the characteristics of vessel traffic flow is crucial in maintaining navigation safety, efficiency, and overall waterway transportation management. Factors influencing vessel traffic flow possess diverse features such as hierarchy, uncertainty, nonlinearity, complexity, and interdependency. To reveal the impact mechanism of the factors influencing vessel traffic flow, a hierarchical model and a coupling model are proposed in this study based on the interpretative structural modeling method. The hierarchical model explains the hierarchies and relationships of the factors using a graph. The coupling model provides a quantitative method that explores interaction effects of factors using a coupling coefficient. The coupling coefficient is obtained by determining the quantitative indicators of the factors and their weights. Thereafter, the data obtained from Port of Tianjin is used to verify the proposed coupling model. The results show that the hierarchical model of the factors influencing vessel traffic flow can explain the level, structure, and interaction effect of the factors; the coupling model is efficient in analyzing factors influencing traffic volumes. The proposed method can be used for analyzing increases in vessel traffic flow in waterway transportation system. PMID:28414747

Structure and photochromic properties of molybdenum-containing silica gels obtained by molecular-lamination method

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

Belotserkovskaya, N.G.; Dobychin, D.P.; Pak, V.N.

1992-05-10

The structure and physicochemical properties of molybdenum-containing silica gels obtained by molecular lamination have been studied quite extensively. Up to the present, however, no studies have been made of the influence of the pore structure of the original silica gel on the structure and properties of molybdenum-containing silica gels (MSG). The problem is quite important, since molybdenum silicas obtained by molecular lamination may find applications in catalysis and as sensors of UV radiation. In either case, the structure of the support is not a factor to be ignored. Here, the authors are reporting on an investigation of the structure ofmore » MSG materials with different pore structures and their susceptibility to reduction of the Mo(VI) oxide groupings when exposed to UV radiation. 16 refs., 2 figs., 2 tabs.« less

On the atomic structure of liquid Ni-Si alloys: a neutron diffraction study

NASA Astrophysics Data System (ADS)

Gruner, S.; Marczinke, J.; Hennet, L.; Hoyer, W.; Cuello, G. J.

2009-09-01

The atomic structure of the liquid NiSi and NiSi2 alloys is investigated by means of neutron diffraction experiments with isotopic substitution. From experimental data-sets obtained using four Ni isotopes, partial structure factors and pair correlation functions are obtained by applying a reverse Monte Carlo modelling approach. Both alloys were found to exhibit a strong tendency to hetero-coordination within the first coordination shell. In particular, covalent Si-Si bonds with somewhat greater distances seem to influence the structure of the liquid NiSi alloy.

On the atomic structure of liquid Ni-Si alloys: a neutron diffraction study.

PubMed

Gruner, S; Marczinke, J; Hennet, L; Hoyer, W; Cuello, G J

2009-09-23

The atomic structure of the liquid NiSi and NiSi(2) alloys is investigated by means of neutron diffraction experiments with isotopic substitution. From experimental data-sets obtained using four Ni isotopes, partial structure factors and pair correlation functions are obtained by applying a reverse Monte Carlo modelling approach. Both alloys were found to exhibit a strong tendency to hetero-coordination within the first coordination shell. In particular, covalent Si-Si bonds with somewhat greater distances seem to influence the structure of the liquid NiSi alloy.

A simple and accurate method for calculation of the structure factor of interacting charged spheres.

PubMed

Wu, Chu; Chan, Derek Y C; Tabor, Rico F

2014-07-15

Calculation of the structure factor of a system of interacting charged spheres based on the Ginoza solution of the Ornstein-Zernike equation has been developed and implemented on a stand-alone spreadsheet. This facilitates direct interactive numerical and graphical comparisons between experimental structure factors with the pioneering theoretical model of Hayter-Penfold that uses the Hansen-Hayter renormalisation correction. The method is used to fit example experimental structure factors obtained from the small-angle neutron scattering of a well-characterised charged micelle system, demonstrating that this implementation, available in the supplementary information, gives identical results to the Hayter-Penfold-Hansen approach for the structure factor, S(q) and provides direct access to the pair correlation function, g(r). Additionally, the intermediate calculations and outputs can be readily accessed and modified within the familiar spreadsheet environment, along with information on the normalisation procedure. Copyright © 2014 Elsevier Inc. All rights reserved.

English Validation of the Parental Socialization Scale—ESPA29

PubMed Central

Martínez, Isabel; Cruise, Edie; García, Óscar F.; Murgui, Sergio

2017-01-01

Parenting styles have traditionally been studied following the classical two-dimensional orthogonal model of parental socialization. The Parental Socialization Scale ESPA29 is used to measure the four styles of parental socialization through the acceptance/involvement and strictness/imposition dimensions. The ESPA29 scale is a developmentally appropriate measure of parenting styles, which has been validated in several languages including Spanish, Italian, and Brazilian Portuguese. In this study, the English translation of the ESPA29 was evaluated. The objective of the work is to test the ESPA29’s structure of parenting practices with a United States sample measuring parenting practices using exploratory factor analysis (EFA) and confirmatory factor analysis (CFA). The scores of fathers’ and mothers’ behavioral practices toward their children were obtained for a sample of 911 United States adolescents between 14 and 18 years of age. First, the total sample was split and a principal components analysis with varimax rotation was carried out with one of the two halves. EFA showed a two-factor structure fully congruent with the theoretical model for mothers’ and fathers’ scores. Next, a CFA was calculated on the second half by using the factor structure obtained in the previous EFA. The CFA replicated the two-factor structure with appropriate fit index. The seven parenting practices that were measured loaded appropriately on the acceptance/involvement and strictness/imposition dimensions. Then, the multigroup analysis between girls and boys showed equal loading in the factors and equal covariation between the acceptance/involvement and the strictness/imposition dimensions. Additionally, the two dimensions of the ESPA29 scale were related to self-esteem in order to obtain an external validity index. The findings confirm the invariant structure of the ESPA29 was in the United States and their equivalence in both fathers’ and mothers’ scores. These findings validate the instrument and confirm its applicability in cross-cultural research on parenting practices and child adjustment. PMID:28611711

English Validation of the Parental Socialization Scale-ESPA29.

PubMed

Martínez, Isabel; Cruise, Edie; García, Óscar F; Murgui, Sergio

2017-01-01

Parenting styles have traditionally been studied following the classical two-dimensional orthogonal model of parental socialization. The Parental Socialization Scale ESPA29 is used to measure the four styles of parental socialization through the acceptance/involvement and strictness/imposition dimensions. The ESPA29 scale is a developmentally appropriate measure of parenting styles, which has been validated in several languages including Spanish, Italian, and Brazilian Portuguese. In this study, the English translation of the ESPA29 was evaluated. The objective of the work is to test the ESPA29's structure of parenting practices with a United States sample measuring parenting practices using exploratory factor analysis (EFA) and confirmatory factor analysis (CFA). The scores of fathers' and mothers' behavioral practices toward their children were obtained for a sample of 911 United States adolescents between 14 and 18 years of age. First, the total sample was split and a principal components analysis with varimax rotation was carried out with one of the two halves. EFA showed a two-factor structure fully congruent with the theoretical model for mothers' and fathers' scores. Next, a CFA was calculated on the second half by using the factor structure obtained in the previous EFA. The CFA replicated the two-factor structure with appropriate fit index. The seven parenting practices that were measured loaded appropriately on the acceptance/involvement and strictness/imposition dimensions. Then, the multigroup analysis between girls and boys showed equal loading in the factors and equal covariation between the acceptance/involvement and the strictness/imposition dimensions. Additionally, the two dimensions of the ESPA29 scale were related to self-esteem in order to obtain an external validity index. The findings confirm the invariant structure of the ESPA29 was in the United States and their equivalence in both fathers' and mothers' scores. These findings validate the instrument and confirm its applicability in cross-cultural research on parenting practices and child adjustment.

A 3D puzzle approach to building protein-DNA structures.

PubMed

Hinton, Deborah M

2017-03-15

Despite recent advances in structural analysis, it is still challenging to obtain a high-resolution structure for a complex of RNA polymerase, transcriptional factors, and DNA. However, using biochemical constraints, 3D printed models of available structures, and computer modeling, one can build biologically relevant models of such supramolecular complexes.

Fire resistance of structural composite lumber products

Treesearch

Robert H. White

2006-01-01

Use of structural composite lumber products is increasing. In applications requiring a fire resistance rating, calculation procedures are used to obtain the fire resistance rating of exposed structural wood products. A critical factor in the calculation procedures is char rate for ASTM E 119 fire exposure. In this study, we tested 14 structural composite lumber...

Parent-Reported Predictors of Adolescent Panic Attacks.

ERIC Educational Resources Information Center

Hayward, Chris; Wilson, Kimberly A.; Lagle, Kristy; Killen, Joel D.; Taylor, C. Barr

2004-01-01

Objective: To identify parent-reported risk factors for adolescent panic attacks. Method: Structured diagnostic interviews were obtained from 770 parents of participants in a school-based risk factor study for adolescent panic. Parent-reported risk factors assessed included characteristics of the child (negative affect, separation anxiety disorder…

Multi-Conformer Ensemble Docking to Difficult Protein Targets

DOE PAGES

Ellingson, Sally R.; Miao, Yinglong; Baudry, Jerome; ...

2014-09-08

We investigate large-scale ensemble docking using five proteins from the Directory of Useful Decoys (DUD, dud.docking.org) for which docking to crystal structures has proven difficult. Molecular dynamics trajectories are produced for each protein and an ensemble of representative conformational structures extracted from the trajectories. Docking calculations are performed on these selected simulation structures and ensemble-based enrichment factors compared with those obtained using docking in crystal structures of the same protein targets or random selection of compounds. We also found simulation-derived snapshots with improved enrichment factors that increased the chemical diversity of docking hits for four of the five selected proteins.more » A combination of all the docking results obtained from molecular dynamics simulation followed by selection of top-ranking compounds appears to be an effective strategy for increasing the number and diversity of hits when using docking to screen large libraries of chemicals against difficult protein targets.« less

FFMPD scales: Comparisons with the FFM, PID-5, and CAT-PD-SF.

PubMed

Crego, Cristina; Oltmanns, Joshua R; Widiger, Thomas A

2018-01-01

A series of 8 Five Factor Model Personality Disorder (FFMPD) scales have been developed to assess, from the perspective of the Five Factor Model (FFM), the maladaptive traits included within DSM-5 Section II personality disorders. An extensive body of FFMPD research has accumulated. However, for the most part, each study has been confined to the scales within 1 particular FFMPD Inventory. The current study considered 36 FFMPD scales, at least 1 from each of the 8 FFMPD inventories, including 8 scales considered to be from neuroticism, 8 from extraversion, 5 from openness, 8 from agreeableness, and 7 from conscientiousness. Their convergent, discriminant, and structural relationship with the FFM was considered, and compared with the structural relationship with the FFM obtained by the Personality Inventory for DSM-5 (PID-5) and the Computerized Adaptive Test-Personality Disorder-Static Form (CAT-PD-SF). Support for an FFM structure was obtained (albeit with agreeableness defining 1 factor and antagonism a separate factor). Similarities and differences across the FFMPD, PID-5, and CAT-PD-SF scales were highlighted. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

OnTheFly: a database of Drosophila melanogaster transcription factors and their binding sites.

PubMed

Shazman, Shula; Lee, Hunjoong; Socol, Yakov; Mann, Richard S; Honig, Barry

2014-01-01

We present OnTheFly (http://bhapp.c2b2.columbia.edu/OnTheFly/index.php), a database comprising a systematic collection of transcription factors (TFs) of Drosophila melanogaster and their DNA-binding sites. TFs predicted in the Drosophila melanogaster genome are annotated and classified and their structures, obtained via experiment or homology models, are provided. All known preferred TF DNA-binding sites obtained from the B1H, DNase I and SELEX methodologies are presented. DNA shape parameters predicted for these sites are obtained from a high throughput server or from crystal structures of protein-DNA complexes where available. An important feature of the database is that all DNA-binding domains and their binding sites are fully annotated in a eukaryote using structural criteria and evolutionary homology. OnTheFly thus provides a comprehensive view of TFs and their binding sites that will be a valuable resource for deciphering non-coding regulatory DNA.

Magnetoelectric effect in a sandwich structure of gallium arsenide–nickel–tin–nickel

NASA Astrophysics Data System (ADS)

Galichyan, T. A.; Filippov, D. A.; Tihonov, A. A.; Laletin, V. M.; Firsova, T. O.; Manicheva, I. N.

2018-04-01

The results of investigation of the magnetoelectric effect in a nickel-tin-nickel sandwich structure obtained by galvanic deposition of gallium arsenide on a substrate are presented. The technology of constructing such structures is described and the experimental results of the frequency dependence of the effect are presented. It is shown that the use of tin as an intermediate layer reduces the mechanical stresses resulting from the incommensurability of the phases, which permits obtaining qualitative structures with the nickel thickness of about 70 μm. The resulting structures exhibit good adhesion between the layers and have a high quality factor.

Linear and quadratic static response functions and structure functions in Yukawa liquids.

PubMed

Magyar, Péter; Donkó, Zoltán; Kalman, Gabor J; Golden, Kenneth I

2014-08-01

We compute linear and quadratic static density response functions of three-dimensional Yukawa liquids by applying an external perturbation potential in molecular dynamics simulations. The response functions are also obtained from the equilibrium fluctuations (static structure factors) in the system via the fluctuation-dissipation theorems. The good agreement of the quadratic response functions, obtained in the two different ways, confirms the quadratic fluctuation-dissipation theorem. We also find that the three-point structure function may be factorizable into two-point structure functions, leading to a cluster representation of the equilibrium triplet correlation function.

Temperament and the structure of personality disorder symptoms.

PubMed

Mulder, R T; Joyce, P R

1997-01-01

This paper attempts to construct a simplified system for the classification of personality disorders, and relates this system to normally distributed human personality characteristics. One hundred and forty-eight subjects with a variety of psychiatric diagnoses were evaluated using the SCID-II structured clinical interview for personality disorders. A four-factor solution of personality disorder symptoms was obtained and we labelled these factors 'the four As': antisocial, asocial, asthenic and anankastic. The factors related to the four temperament dimensions of the Tridimensional Personality Questionnaire (TPQ), but less closely to Eysenck Personality Questionnaire (EPQ) dimensions. The four factors were similar to those identified in a number of studies using a variety of assessment methods and this lends some credibility to our findings. It suggests that a more parsimonious set of trait descriptors could be used to provide simpler, less overlapping categories that retain links with current clinical practice. In addition, these factors can be seen as extremes of normally distributed behaviours obtained using the TPQ questionnaire.

Psychometric properties of Connor-Davidson Resilience Scale in a Spanish sample of entrepreneurs.

PubMed

Manzano-García, Guadalupe; Ayala Calvo, Juan Carlos

2013-01-01

The literature regarding entrepreneurship suggests that the resilience of entrepreneurs may help to explain entrepreneurial success, but there is no resilience measure widely accepted by researchers. This study analyzes the psychometric properties of the Connor and Davidson Resilience Scale (CD-RISC) in a sample of Spanish entrepreneurs. A telephone survey research method was used. The participants were entrepreneurs operating in the business services sector. Interviewers telephoned a total of 900 entrepreneurs of whom 783 produced usable questionnaires. The CD-RISC was used as data collection instrument. We used principal component analysis factor and confirmatory factor analysis to determine the factor structure of the CD-RISC. Confirmatory factor analysis failed to verify the original five-factor structure of the CD-RISC, whereas principal component analysis factor yielded a 3-factor structure of resilience (hardiness, resourcefulness and optimism). In this research, 47.48% of the total variance was accounted for by three factors, and the obtained factor structure was verified through confirmatory factor analysis. The CD-RISC has been shown to be a reliable and valid tool for measuring entrepreneurs' resilience.

Psychometric properties of the Brief Symptom Inventory-18 in a Spanish breast cancer sample.

PubMed

Galdón, Ma José; Durá, Estrella; Andreu, Yolanda; Ferrando, Maite; Murgui, Sergio; Pérez, Sandra; Ibañez, Elena

2008-12-01

The objective of this work was to study the psychometric and structural properties of the Brief Symptom Inventory-18 (BSI-18) in a sample of breast cancer patients (N=175). Confirmatory factor analyses were conducted. Two models were tested: the theoretical model with the original structure (three-dimensional), and the empirical model (a four-factor structure) obtained through exploratory factor analysis initially performed by the authors of the BSI-18. The eligible structure was the original proposal consisting of three dimensions: somatization, depression, and anxiety scores. These measures also showed good internal consistency. The results of this study support the reliability and structural validity of the BSI-18 as a standardized instrument for screening purposes in breast cancer patients, with the added benefits of simplicity and ease of application.

A Factor Analysis of Need-Fulfillment Items Designed to Measure Maslow Need Categories

ERIC Educational Resources Information Center

Waters, L. K.; Roach, Darrell

1973-01-01

The purpose of the present study was to factor analyze a set of items frequently used to measure Maslow need categories to obtain further information on their structure in relation to the Maslow system. (Author)

Internal quantum efficiency enhancement of GaInN/GaN quantum-well structures using Ag nanoparticles

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

Iida, Daisuke; Department of Photonics Engineering, Technical University of Denmark, 2800 Lyngby; Faculty of Science and Technology, Meijo University, 1-501 Shiogamaguchi Tempaku, 468-8502 Nagoya

2015-09-15

We report internal quantum efficiency enhancement of thin p-GaN green quantum-well structure using self-assembled Ag nanoparticles. Temperature dependent photoluminescence measurements are conducted to determine the internal quantum efficiency. The impact of excitation power density on the enhancement factor is investigated. We obtain an internal quantum efficiency enhancement by a factor of 2.3 at 756 W/cm{sup 2}, and a factor of 8.1 at 1 W/cm{sup 2}. A Purcell enhancement up to a factor of 26 is estimated by fitting the experimental results to a theoretical model for the efficiency enhancement factor.

Exploring the Factor Structure of Neurocognitive Measures in Older Individuals

PubMed Central

Santos, Nadine Correia; Costa, Patrício Soares; Amorim, Liliana; Moreira, Pedro Silva; Cunha, Pedro; Cotter, Jorge; Sousa, Nuno

2015-01-01

Here we focus on factor analysis from a best practices point of view, by investigating the factor structure of neuropsychological tests and using the results obtained to illustrate on choosing a reasonable solution. The sample (n=1051 individuals) was randomly divided into two groups: one for exploratory factor analysis (EFA) and principal component analysis (PCA), to investigate the number of factors underlying the neurocognitive variables; the second to test the “best fit” model via confirmatory factor analysis (CFA). For the exploratory step, three extraction (maximum likelihood, principal axis factoring and principal components) and two rotation (orthogonal and oblique) methods were used. The analysis methodology allowed exploring how different cognitive/psychological tests correlated/discriminated between dimensions, indicating that to capture latent structures in similar sample sizes and measures, with approximately normal data distribution, reflective models with oblimin rotation might prove the most adequate. PMID:25880732

AIR POLLUTION EPIDEMIOLOGY: CAN INFORMATION BE OBTAINED FROM THE VARIATIONS IN SIGNIFICANCE AND RISK AS A FUNCTION OF DAYS AFTER EXPOSURE (LAG STRUCTURE)?

EPA Science Inventory

Determine if analysis of lag structure from time series epidemiology, using gases, particles, and source factor time series, can contribute to understanding the relationships among various air pollution indicators. Methods: Analyze lag structure from an epidemiologic study of ca...

The structure of liquid water by polarized neutron diffraction and reverse Monte Carlo modelling.

PubMed

Temleitner, László; Pusztai, László; Schweika, Werner

2007-08-22

The coherent static structure factor of water has been investigated by polarized neutron diffraction. Polarization analysis allows us to separate the huge incoherent scattering background from hydrogen and to obtain high quality data of the coherent scattering from four different mixtures of liquid H(2)O and D(2)O. The information obtained by the variation of the scattering contrast confines the configurational space of water and is used by the reverse Monte Carlo technique to model the total structure factors. Structural characteristics have been calculated directly from the resulting sets of particle coordinates. Consistency with existing partial pair correlation functions, derived without the application of polarized neutrons, was checked by incorporating them into our reverse Monte Carlo calculations. We also performed Monte Carlo simulations of a hard sphere system, which provides an accurate estimate of the information content of the measured data. It is shown that the present combination of polarized neutron scattering and reverse Monte Carlo structural modelling is a promising approach towards a detailed understanding of the microscopic structure of water.

Confinement factor, near and far field patterns in InGaN MQW laser diodes

NASA Astrophysics Data System (ADS)

Martín, J.; Sánchez, M.

2005-07-01

In this work the influence of the QW number in the active region on spectral characteristics in InGaN multi quamtun well lasers is analyzed. A comparison between the abrupt index step structure (Step) and a graded-index structure (GRIN) is done. The effect of the introduction of a p-AlxGa1-xN electron blocking layer, placed above the last InGaN barrier in the Step structure is also analyzed. Calculations of the confinement factor, near and far field patterns were carried out. We found that with the adequate aluminum content in this layer, the confinement factor, near and far field patterns are improved, and values similar to those obtained with GRIN structure can be reached.

Biomotor structures in elite female handball players.

PubMed

Katić, Ratko; Cavala, Marijana; Srhoj, Vatromir

2007-09-01

In order to identify biomotor structures in elite female handball players, factor structures of morphological characteristics and basic motor abilities of elite female handball players (N = 53) were determined first, followed by determination of relations between the morphological-motor space factors obtained and the set of criterion variables evaluating situation motor abilities in handball. Factor analysis of 14 morphological measures produced three morphological factors, i.e. factor of absolute voluminosity (mesoendomorph), factor of longitudinal skeleton dimensionality, and factor of transverse hand dimensionality. Factor analysis of 15 motor variables yielded five basic motor dimensions, i.e. factor of agility, factor of jumping explosive strength, factor of throwing explosive strength, factor of movement frequency rate, and factor of running explosive strength (sprint). Four significant canonic correlations, i.e. linear combinations, explained the correlation between the set of eight latent variables of the morphological and basic motor space and five variables of situation motoricity. First canonic linear combination is based on the positive effect of the factors of agility/coordination on the ability of fast movement without ball. Second linear combination is based on the effect of jumping explosive strength and transverse hand dimensionality on ball manipulation, throw precision, and speed of movement with ball. Third linear combination is based on the running explosive strength determination by the speed of movement with ball, whereas fourth combination is determined by throwing and jumping explosive strength, and agility on ball pass. The results obtained were consistent with the model of selection in female handball proposed (Srhoj et al., 2006), showing the speed of movement without ball and the ability of ball manipulation to be the predominant specific abilities, as indicated by the first and second linear combination.

Effective spring stiffness for a periodic array of interacting coplanar penny-shaped cracks at an interface between two dissimilar isotropic materials

PubMed Central

Lekesiz, Huseyin; Katsube, Noriko; Rokhlin, Stanislav I.; Seghi, Robert R.

2013-01-01

An effective spring stiffness approximation is proposed for a hexagonal array of coplanar penny shaped cracks located at the interface between two dissimilar solids. The approximation is based on the factorization of the solution on the material dissimilarity factor, the crack interaction factor and the effective spring stiffness solution for non-interacting cracks in a homogeneous material. Such factorization is exact and was validated for 2D collinear cracks between two dissimilar solids. The crack interaction factor is obtained using a recently developed model for stress intensity factors for an array of coplanar penny shaped cracks in a homogeneous material; also the material dissimilarity function recently obtained for non-interacting penny shaped crack at the interface between two dissimilar materials is employed. The obtained solution is useful for an assessment by ultrasonic measurements of the interface stiffness in bonded structures for monitoring the interfacial microdamage growth due to mechanical loading and environmental factors. PMID:27175036

Effective spring stiffness for a periodic array of interacting coplanar penny-shaped cracks at an interface between two dissimilar isotropic materials.

PubMed

Lekesiz, Huseyin; Katsube, Noriko; Rokhlin, Stanislav I; Seghi, Robert R

2013-08-15

An effective spring stiffness approximation is proposed for a hexagonal array of coplanar penny shaped cracks located at the interface between two dissimilar solids. The approximation is based on the factorization of the solution on the material dissimilarity factor, the crack interaction factor and the effective spring stiffness solution for non-interacting cracks in a homogeneous material. Such factorization is exact and was validated for 2D collinear cracks between two dissimilar solids. The crack interaction factor is obtained using a recently developed model for stress intensity factors for an array of coplanar penny shaped cracks in a homogeneous material; also the material dissimilarity function recently obtained for non-interacting penny shaped crack at the interface between two dissimilar materials is employed. The obtained solution is useful for an assessment by ultrasonic measurements of the interface stiffness in bonded structures for monitoring the interfacial microdamage growth due to mechanical loading and environmental factors.

Academic Performance Antecedent Scale: validation with native and recent immigrant children.

PubMed

Wang, Ru-Jer; Kuo, Kung-Bin; Cheng, Chien-Ming; Hsieh, Pei-Jung; Wang, Han-Yu; Chang, Ya-Wen; Shen, Chia-Yi

2013-06-01

This study aims to assess the measurement invariance of the three subscales of the newly developed Academic Performance Antecedent Scale (APAS)--School Factors, Mother's Parenting Style, and Individual Factors--across native and new immigrant children in Taiwan. The study sample comprised 527 Grade 4 students (M age = 10.4 yr., SD = 0.6), 263 boys and 264 girls. The three groups were urban and rural children of Taiwanese natives (n = 343, 65.1%), and 184 children with non-Taiwanese mothers (34.9%). The four-factor structure of the School Factors Subscale, the three-factor structure of the Mother's Parenting Style Subscale, and the five-factor structure of the Individual Factors Subscale all showed at least acceptable fit for the groups. In addition, metric invariance was confirmed for the School Factors and Individual Factors Subscales. Metric invariance was partially obtained for the Mother's Parenting Style Subscale. The findings provide validity evidences for cross-cultural generalizability of the APAS.

Eigentime identities for on weighted polymer networks

NASA Astrophysics Data System (ADS)

Dai, Meifeng; Tang, Hualong; Zou, Jiahui; He, Di; Sun, Yu; Su, Weiyi

2018-01-01

In this paper, we first analytically calculate the eigenvalues of the transition matrix of a structure with very complex architecture and their multiplicities. We call this structure polymer network. Based on the eigenvalues obtained in the iterative manner, we then calculate the eigentime identity. We highlight two scaling behaviors (logarithmic and linear) for this quantity, strongly depending on the value of the weight factor. Finally, by making use of the obtained eigenvalues, we determine the weighted counting of spanning trees.

XAFS Debye-Waller Factors Temperature-Dependent Expressions for Fe+2-Porphyrin Complexes

NASA Astrophysics Data System (ADS)

Dimakis, Nicholas; Bunker, Grant

2007-02-01

We present an efficient and accurate method for directly calculating single and multiple scattering X-ray absorption fine structure (XAFS) thermal Debye-Waller factors for Fe+2 -porphiryn complexes. The number of multiple scattering Debye-Waller factors on metal porphyrin centers exceeds the number of available parameters that XAFS experimental data can support during fitting with simulated spectra. Using the Density Functional Theory (DFT) under the hybrid functional of X3LYP, phonon normal mode spectrum properties are used to express the mean square variation of the half-scattering path length for a Fe+2 -porphiryn complex as a function of temperature for the most important single and multiple scattering paths of the complex thus virtually eliminating them from the fitting procedure. Modeled calculations are compared with corresponding values obtained from DFT-built and optimized Fe+2 -porphyrin bis-histidine structure as well as from experimental XAFS spectra previously reported. An excellent agreement between calculated and reference Debye-Waller factors for Fe+2-porphyrins is obtained.

Maximum Likelihood Dynamic Factor Modeling for Arbitrary "N" and "T" Using SEM

ERIC Educational Resources Information Center

Voelkle, Manuel C.; Oud, Johan H. L.; von Oertzen, Timo; Lindenberger, Ulman

2012-01-01

This article has 3 objectives that build on each other. First, we demonstrate how to obtain maximum likelihood estimates for dynamic factor models (the direct autoregressive factor score model) with arbitrary "T" and "N" by means of structural equation modeling (SEM) and compare the approach to existing methods. Second, we go beyond standard time…

Structural-Vibration-Response Data Analysis

NASA Technical Reports Server (NTRS)

Smith, W. R.; Hechenlaible, R. N.; Perez, R. C.

1983-01-01

Computer program developed as structural-vibration-response data analysis tool for use in dynamic testing of Space Shuttle. Program provides fast and efficient time-domain least-squares curve-fitting procedure for reducing transient response data to obtain structural model frequencies and dampings from free-decay records. Procedure simultaneously identifies frequencies, damping values, and participation factors for noisy multiple-response records.

Probabilistic simulation of the human factor in structural reliability

NASA Technical Reports Server (NTRS)

Chamis, C. C.

1993-01-01

A formal approach is described in an attempt to computationally simulate the probable ranges of uncertainties of the human factor in structural probabilistic assessments. A multi-factor interaction equation (MFIE) model has been adopted for this purpose. Human factors such as marital status, professional status, home life, job satisfaction, work load and health, are considered to demonstrate the concept. Parametric studies in conjunction with judgment are used to select reasonable values for the participating factors (primitive variables). Suitability of the MFIE in the subsequently probabilistic sensitivity studies are performed to assess the validity of the whole approach. Results obtained show that the uncertainties for no error range from five to thirty percent for the most optimistic case.

Structure and effective interactions in three-component hard sphere liquids.

PubMed

König, A; Ashcroft, N W

2001-04-01

Complete and simple analytical expressions for the partial structure factors of the ternary hard sphere mixture are obtained within the Percus-Yevick approximation and presented as functions of relative packing fractions and relative hard sphere diameters. These solutions follow from the Laplace transform method as applied to multicomponent systems by Lebowitz [Phys. Rev. 133, A895 (1964)]. As an important application, we examine effective interactions in hard sphere liquid mixtures using the microscopic information contained in their partial structure factors. Thus the ensuring pair potential for an effective one-component system is obtained from the correlation functions by using an approximate inversion, and examples of effective potentials for three-component hard sphere mixtures are given. These mixtures may be of particular interest for the study of the packing aspects of melts that form glasses or quasicrystals, since noncrystalline solids often emerge from melts with at least three atomic constituents.

Charge Structure and Counterion Distribution in Hexagonal DNA Liquid Crystal

PubMed Central

Dai, Liang; Mu, Yuguang; Nordenskiöld, Lars; Lapp, Alain; van der Maarel, Johan R. C.

2007-01-01

A hexagonal liquid crystal of DNA fragments (double-stranded, 150 basepairs) with tetramethylammonium (TMA) counterions was investigated with small angle neutron scattering (SANS). We obtained the structure factors pertaining to the DNA and counterion density correlations with contrast matching in the water. Molecular dynamics (MD) computer simulation of a hexagonal assembly of nine DNA molecules showed that the inter-DNA distance fluctuates with a correlation time around 2 ns and a standard deviation of 8.5% of the interaxial spacing. The MD simulation also showed a minimal effect of the fluctuations in inter-DNA distance on the radial counterion density profile and significant penetration of the grooves by TMA. The radial density profile of the counterions was also obtained from a Monte Carlo (MC) computer simulation of a hexagonal array of charged rods with fixed interaxial spacing. Strong ordering of the counterions between the DNA molecules and the absence of charge fluctuations at longer wavelengths was shown by the SANS number and charge structure factors. The DNA-counterion and counterion structure factors are interpreted with the correlation functions derived from the Poisson-Boltzmann equation, MD, and MC simulation. Best agreement is observed between the experimental structure factors and the prediction based on the Poisson-Boltzmann equation and/or MC simulation. The SANS results show that TMA is too large to penetrate the grooves to a significant extent, in contrast to what is shown by MD simulation. PMID:17098791

A structural and theoretical study of the alkylammonium nitrates forefather: Liquid methylammonium nitrate

NASA Astrophysics Data System (ADS)

Gontrani, Lorenzo; Caminiti, Ruggero; Salma, Umme; Campetella, Marco

2017-09-01

We present here a structural and vibrational analysis of melted methylammonium nitrate, the simplest compound of the family of alkylammonium nitrates. The static and dynamical features calculated were endorsed by comparing the experimental X-ray data with the theoretical ones. A reliable description cannot be obtained with classical molecular dynamics owing to polarization effects. Contrariwise, the structure factor and the vibrational frequencies obtained from ab initio molecular dynamics trajectories are in very good agreement with the experiment. A careful analysis has provided additional information on the complex hydrogen bonding network that exists in this liquid.

Estimation of the behavior factor of existing RC-MRF buildings

NASA Astrophysics Data System (ADS)

Vona, Marco; Mastroberti, Monica

2018-01-01

In recent years, several research groups have studied a new generation of analysis methods for seismic response assessment of existing buildings. Nevertheless, many important developments are still needed in order to define more reliable and effective assessment procedures. Moreover, regarding existing buildings, it should be highlighted that due to the low knowledge level, the linear elastic analysis is the only analysis method allowed. The same codes (such as NTC2008, EC8) consider the linear dynamic analysis with behavior factor as the reference method for the evaluation of seismic demand. This type of analysis is based on a linear-elastic structural model subject to a design spectrum, obtained by reducing the elastic spectrum through a behavior factor. The behavior factor (reduction factor or q factor in some codes) is used to reduce the elastic spectrum ordinate or the forces obtained from a linear analysis in order to take into account the non-linear structural capacities. The behavior factors should be defined based on several parameters that influence the seismic nonlinear capacity, such as mechanical materials characteristics, structural system, irregularity and design procedures. In practical applications, there is still an evident lack of detailed rules and accurate behavior factor values adequate for existing buildings. In this work, some investigations of the seismic capacity of the main existing RC-MRF building types have been carried out. In order to make a correct evaluation of the seismic force demand, actual behavior factor values coherent with force based seismic safety assessment procedure have been proposed and compared with the values reported in the Italian seismic code, NTC08.

Confirmatory factor analysis of the Revised UCLA Loneliness Scale (UCLA LS-R) in individuals over 65.

PubMed

Ausín, Berta; Muñoz, Manuel; Martín, Teresa; Pérez-Santos, Eloísa; Castellanos, Miguel Ángel

2018-01-08

The UCLA LS-R is the most extensively used scale to assess loneliness. However, few studies examine the scale's use on older individuals. The goal of the study is to analyse the suitability of the scale´s structure for assessing older individuals. The UCLA LS-R scale was administered to a random sample of 409 community-dwelling residents of Madrid (53% women) aged 65-84 years (obtained from the MentDis_ICF65+ study). Confirmatory factor analysis was used to assess the factor structure of the UCLA LS-R. The internal consistency of the scale obtained a Cronbach's alpha of .85. All the analysed models of factor structure of the UCLA LS-R achieved a fairly good fit and RMSEA values over .80. The models that best fit the empirical data are those of Hojat (1982) and Borges et al. (2008). The data suggest an equivalent effectiveness of UCLA LS-R in adults under 65 and over 65, which may indicate a similar structure of the loneliness construct in both populations. This outcome is consistent with the idea that loneliness has two dimensions: emotional loneliness and social loneliness. The use of short measures that are easy to apply and interpret should help primary care professionals identify loneliness problems in older individuals sooner and more accurately.

Multigroup confirmatory factor analysis and structural invariance with age of the Behavior Rating Inventory of Executive Function (BRIEF)--French version.

PubMed

Fournet, Nathalie; Roulin, Jean-Luc; Monnier, Catherine; Atzeni, Thierry; Cosnefroy, Olivier; Le Gall, Didier; Roy, Arnaud

2015-01-01

The parent and teacher forms of the French version of the Behavioral Rating Inventory of Executive Function (BRIEF) were used to evaluate executive function in everyday life in a large sample of healthy children (N = 951) aged between 5 and 18. Several psychometric methods were applied, with a view to providing clinicians with tools for score interpretation. The parent and teacher forms of the BRIEF were acceptably reliable. Demographic variables (such as age and gender) were found to influence the BRIEF scores. Confirmatory factor analysis was then used to test five competing models of the BRIEF's latent structure. Two of these models (a three-factor model and a two-factor model, both based on a nine-scale structure) had a good fit. However, structural invariance with age was only obtained with the two-factor model. The French version of the BRIEF provides a useful measure of everyday executive function and can be recommended for use in clinical research and practice.

A Surrogate for Debye-Waller Factors from Dynamic Stokes Shifts

PubMed Central

Zhong, Qin; Johnson, Jerainne; Aamer, Khaled A.; Tyagi, Madhusudan

2011-01-01

We show that the short-time behavior of time-resolved fluorescence Stokes shifts (TRSS) are similar to that of the intermediate scattering function obtained from neutron scattering at q near the peak in the static structure factor for glycerol. This allows us to extract a Debye-Waller (DW) factor analog from TRSS data at times as short as 1 ps in a relatively simple way. Using the time-domain relaxation data obtained by this method we show that DW factors evaluated at times ≥ 40 ps can be directly influenced by α relaxation and thus should be used with caution when evaluating relationships between fast and slow dynamics in glassforming systems. PMID:21701673

An Empirical Comparison of Competing Factor Structures for the Repeatable Battery for the Assessment of Neuropsychological Status: A Project FRONTIER Study†

PubMed Central

Torrence, Nicole D.; John, Samantha E.; Gavett, Brandon E.; O'Bryant, Sid E.

2016-01-01

The original factor structure of the Repeatable Battery for the Assessment of Neuropsychological Status (RBANS) has received little empirical support, but at least eight alternative factor structures have been identified in the literature. The current study used confirmatory factor analysis to compare the original RBANS model with eight alternatives, which were adjusted to include a general factor. Participant data were obtained from Project FRONTIER, an epidemiological study of rural health, and comprised 341 adults (229 women, 112 men) with mean age of 61.2 years (SD = 12.1) and mean education of 12.4 years (SD = 3.3). A bifactor version of the model proposed by Duff and colleagues provided the best fit to the data (CFI = 0.98; root-mean-squared error of approximation = 0.07), but required further modification to produce appropriate factor loadings. The results support the inclusion of a general factor and provide partial replication of the Duff and colleagues RBANS model. PMID:26429558

Factors Influencing Self-Esteem among Individuals with Severe Mental Illness: Implications for Social Work

ERIC Educational Resources Information Center

Kahng, Sang Kyoung; Mowbray, Carol

2004-01-01

This study analyzed factors affecting self-esteem among individuals with severe mental illness to identify effective targets for social work interventions. Data were obtained from 290 individuals with psychiatric disability recruited from community-based psychosocial rehabilitation agencies. Analyses using structural equation modeling revealed…

Factors Associated with Leisure Activity among Young Adults with Developmental Disabilities

ERIC Educational Resources Information Center

Van Naarden Braun, Kim; Yeargin-Allsopp, Marshalyn; Lollar, Donald

2006-01-01

The framework of the International Classification of Functioning, Disability, and Health (ICF) was applied to examine the factors associated with childhood impairment and leisure activity. Information on leisure activity was obtained using a structured questionnaire from a population-based cohort of young adults with childhood impairment. The…

Factor structure of the General Health Questionnaire-28 (GHQ-28) from infertile women attending the Yazd Research and Clinical Center for Infertility.

PubMed

Shayan, Zahra; Pourmovahed, Zahra; Najafipour, Fatemeh; Abdoli, Ali Mohammad; Mohebpour, Fatemeh; Najafipour, Sedighe

2015-12-01

Nowadays, infertility problems have become a social concern, and are associated with multiple psychological and social problems. Also, it affects the interpersonal communication between the individual, familial, and social characteristics. Since women are exposed to stressors of physical, mental, social factors, and treatment of infertility, providing a psychometric screening tool is necessary for disorders of this group. The aim of this study was to determine the factor structure of the general health questionnaire-28 to discover mental disorders in infertile women. In this study, 220 infertile women undergoing treatment of infertility were selected from the Yazd Research and Clinical Center for Infertility with convenience sampling in 2011. After completing the general health questionnaire by the project manager, validity and, reliability of the questionnaire were calculated by confirmatory factor structure and Cronbach's alpha, respectively. Four factors, including anxiety and insomnia, social dysfunction, depression, and physical symptoms were extracted from the factor structure. 50.12% of the total variance was explained by four factors. The reliability coefficient of the questionnaire was obtained 0.90. Analysis of the factor structure and reliability of General Health Questionnaire-28 showed that it is suitable as a screening instrument for assessing general health of infertile women.

International Postgraduate Students' Cross-Cultural Adaptation in Malaysia: Antecedents and Outcomes

ERIC Educational Resources Information Center

Shafaei, Azadeh; Razak, Nordin Abd

2016-01-01

This study develops and empirically tests a conceptual model capturing the factors impacting students' cross-cultural adaptation and the outcomes resulting from such adaption. Data were obtained from a sample of international postgraduate students from six Malaysian public universities using a structured questionnaire. Structural equation…

Exploring the hierarchical structure of the MMPI-2-RF Personality Psychopathology Five in psychiatric patient and university student samples.

PubMed

Bagby, R Michael; Sellbom, Martin; Ayearst, Lindsay E; Chmielewski, Michael S; Anderson, Jaime L; Quilty, Lena C

2014-01-01

In this study our goal was to examine the hierarchical structure of personality pathology as conceptualized by Harkness and McNulty's (1994) Personality Psychopathology Five (PSY-5) model, as recently operationalized by the MMPI-2-RF (Ben-Porath & Tellegen, 2011) PSY-5r scales. We used Goldberg's (2006) "bass-ackwards" method to obtain factor structure using PSY-5r item data, successively extracting from 1 to 5 factors in a sample of psychiatric patients (n = 1,000) and a sample of university undergraduate students (n = 1,331). Participants from these samples had completed either the MMPI-2 or the MMPI-2-RF. The results were mostly consistent across the 2 samples, with some differences at the 3-factor level. In the patient sample a factor structure representing 3 broad psychopathology domains (internalizing, externalizing, and psychoticism) emerged; in the student sample the 3-factor level represented what is more commonly observed in "normal-range" personality models (negative emotionality, introversion, and disconstraint). At the 5-factor level the basic structure was similar across the 2 samples and represented well the PSY-5r domains.

Confirmatory factor analysis of posttraumatic stress symptoms in sexually harassed women.

PubMed

Palmieri, Patrick A; Fitzgerald, Louise F

2005-12-01

Posttraumatic stress disorder (PTSD) factor analytic research to date has not provided a clear consensus on the structure of posttraumatic stress symptoms. Seven hypothesized factor structures were evaluated using confirmatory factor analysis of the Posttraumatic Stress Disorder Checklist, a paper-and-pencil measure of posttraumatic stress symptom severity, in a sample of 1,218 women who experienced a broad range of workplace sexual harassment. The model specifying correlated re-experiencing, effortful avoidance, emotional numbing, and hyperarousal factors provided the best fit to the data. Virtually no support was obtained for the Diagnostic and Statistical Manual of Mental Disorders, fourth edition (DSM-IV; American Psychiatric Association, 1994) three-factor model of re-experiencing, avoidance, and hyperarousal factors. Different patterns of correlations with external variables were found for the avoidance and emotional numbing factors, providing further validation of the supported model.

Relations for lipid bilayers. Connection of electron density profiles to other structural quantities.

PubMed Central

Nagle, J F; Wiener, M C

1989-01-01

Three relations are derived that connect low angle diffraction/scattering results obtained from lipid bilayers to other structural quantities of interest. The first relates the area along the surface of the bilayer, the measured specific volume, and the zeroth order structure factor, F(0). The second relates the size of the trough in the center of the electron density profile, the volume of the terminal methyl groups, and the volume of the methylene groups in the fatty acid chains. The third relates the size of the headgroup electron density peak, the volume of the headgroup, and the volumes of water and hydrocarbon in the headgroup region. These relations, which are easily modified for neutron diffraction, are useful for obtaining structural quantities from electron density profiles obtained by fitting model profiles to measured low angle x-ray intensities. PMID:2713444

Dependence of structure factor and correlation energy on the width of electron wires

NASA Astrophysics Data System (ADS)

Ashokan, Vinod; Bala, Renu; Morawetz, Klaus; Pathak, Kare Narain

2018-02-01

The structure factor and correlation energy of a quantum wire of thickness b ≪ a B are studied in random phase approximation (RPA) and for the less investigated region r s < 1. Using the single-loop approximation, analytical expressions of the structure factor are obtained. The exact expressions for the exchange energy are also derived for a cylindrical and harmonic wire. The correlation energy in RPA is found to be represented by ɛ c ( b, r s ) = α( r s )/ b + β( r s ) ln( b) + η( r s ), for small b and high densities. For a pragmatic width of the wire, the correlation energy is in agreement with the quantum Monte Carlo simulation data.

Cell Division and Evolution of Biological Tissues

NASA Astrophysics Data System (ADS)

Rivier, Nicolas; Arcenegui-Siemens, Xavier; Schliecker, Gudrun

A tissue is a geometrical, space-filling, random cellular network; it remains in this steady state while individual cells divide. Cell division (fragmentation) is a local, elementary topological transformation which establishes statistical equilibrium of the structure. Statistical equilibrium is characterized by observable relations (Lewis, Aboav) between cell shapes, sizes and those of their neighbours, obtained through maximum entropy and topological correlation extending to nearest neighbours only, i.e. maximal randomness. For a two-dimensional tissue (epithelium), the distribution of cell shapes and that of mother and daughter cells can be obtained from elementary geometrical and physical arguments, except for an exponential factor favouring division of larger cells, and exponential and combinatorial factors encouraging a most symmetric division. The resulting distributions are very narrow, and stationarity severely restricts the range of an adjustable structural parameter

Examination of enterotoxigenic Escherichia coli H10407 (colonization factor antigen I+) by scanning electron microscopy with conductive staining.

PubMed Central

Sherburne, R; Armstrong, G D

1989-01-01

We have used the scanning electron microscope to examine enterotoxigenic Escherichia coli H10407, which expresses colonization factor antigen I pili. The use of low accelerating voltages and conductive staining procedures allowed us to obtain images of colonization factor antigen I pili and other structural details which were obscured by conventional gold-coating techniques. Images PMID:2570062

Assessing Management Support for Worksite Health Promotion: Psychometric Analysis of the Leading by Example (LBE) Instrument

PubMed Central

Della, Lindsay J.; DeJoy, David M.; Goetzel, Ron Z.; Ozminkowski, Ronald J.; Wilson, Mark G.

2009-01-01

Objective This paper describes the development of the Leading by Example (LBE) instrument. Methods Exploratory factor analysis was used to obtain an initial factor structure. Factor validity was evaluated using confirmatory factor analysis methods. Cronbach’s alpha and item-total correlations provided information on the reliability of the factor subscales. Results Four subscales were identified: business alignment with health promotion objectives; awareness of the health-productivity link; worksite support for health promotion; leadership support for health promotion. Factor by group comparisons revealed that the initial factor structure is effective in detecting differences in organizational support for health promotion across different employee groups Conclusions Management support for health promotion can be assessed using the LBE, a brief, self-report questionnaire. Researchers can use the LBE to diagnose, track, and evaluate worksite health promotion programs. PMID:18517097

Scale Development for Measuring and Predicting Adolescents’ Leisure Time Physical Activity Behavior

PubMed Central

Ries, Francis; Romero Granados, Santiago; Arribas Galarraga, Silvia

2009-01-01

The aim of this study was to develop a scale for assessing and predicting adolescents’ physical activity behavior in Spain and Luxembourg using the Theory of Planned Behavior as a framework. The sample was comprised of 613 Spanish (boys = 309, girls = 304; M age =15.28, SD =1.127) and 752 Luxembourgish adolescents (boys = 343, girls = 409; M age = 14.92, SD = 1.198), selected from students of two secondary schools in both countries, with a similar socio-economic status. The initial 43-items were all scored on a 4-point response format using the structured alternative format and translated into Spanish, French and German. In order to ensure the accuracy of the translation, standardized parallel back-translation techniques were employed. Following two pilot tests and subsequent revisions, a second order exploratory factor analysis with oblimin direct rotation was used for factor extraction. Internal consistency and test-retest reliabilities were also tested. The 4-week test-retest correlations confirmed the items’ time stability. The same five factors were obtained, explaining 63.76% and 63.64% of the total variance in both samples. Internal consistency for the five factors ranged from α = 0.759 to α = 0. 949 in the Spanish sample and from α = 0.735 to α = 0.952 in the Luxembourgish sample. For both samples, inter-factor correlations were all reported significant and positive, except for Factor 5 where they were significant but negative. The high internal consistency of the subscales, the reported item test-retest reliabilities and the identical factor structure confirm the adequacy of the elaborated questionnaire for assessing the TPB-based constructs when used with a population of adolescents in Spain and Luxembourg. The results give some indication that they may have value in measuring the hypothesized TPB constructs for PA behavior in a cross-cultural context. Key points When using the structured alternative format, weak internal consistency was obtained. Rephrasing the items and scoring items on a Likert-type scale enhanced greatly the subscales reliability. Identical factorial structure was extracted for both culturally different samples. The obtained factors, namely perceived physical competence, parents’ physical activity, perceived resources support, attitude toward physical activity and perceived parental support were hypothesized as for the original TPB constructs. PMID:24149606

Scale development for measuring and predicting adolescents' leisure time physical activity behavior.

PubMed

Ries, Francis; Romero Granados, Santiago; Arribas Galarraga, Silvia

2009-01-01

The aim of this study was to develop a scale for assessing and predicting adolescents' physical activity behavior in Spain and Luxembourg using the Theory of Planned Behavior as a framework. The sample was comprised of 613 Spanish (boys = 309, girls = 304; M age =15.28, SD =1.127) and 752 Luxembourgish adolescents (boys = 343, girls = 409; M age = 14.92, SD = 1.198), selected from students of two secondary schools in both countries, with a similar socio-economic status. The initial 43-items were all scored on a 4-point response format using the structured alternative format and translated into Spanish, French and German. In order to ensure the accuracy of the translation, standardized parallel back-translation techniques were employed. Following two pilot tests and subsequent revisions, a second order exploratory factor analysis with oblimin direct rotation was used for factor extraction. Internal consistency and test-retest reliabilities were also tested. The 4-week test-retest correlations confirmed the items' time stability. The same five factors were obtained, explaining 63.76% and 63.64% of the total variance in both samples. Internal consistency for the five factors ranged from α = 0.759 to α = 0. 949 in the Spanish sample and from α = 0.735 to α = 0.952 in the Luxembourgish sample. For both samples, inter-factor correlations were all reported significant and positive, except for Factor 5 where they were significant but negative. The high internal consistency of the subscales, the reported item test-retest reliabilities and the identical factor structure confirm the adequacy of the elaborated questionnaire for assessing the TPB-based constructs when used with a population of adolescents in Spain and Luxembourg. The results give some indication that they may have value in measuring the hypothesized TPB constructs for PA behavior in a cross-cultural context. Key pointsWhen using the structured alternative format, weak internal consistency was obtained. Rephrasing the items and scoring items on a Likert-type scale enhanced greatly the subscales reliability.Identical factorial structure was extracted for both culturally different samples.The obtained factors, namely perceived physical competence, parents' physical activity, perceived resources support, attitude toward physical activity and perceived parental support were hypothesized as for the original TPB constructs.

Analyses of Digman's child-personality data: derivation of Big-Five factor scores from each of six samples.

PubMed

Goldberg, L R

2001-10-01

One of the world's richest collections of teacher descriptions of elementary-school children was obtained by John M. Digman from 1959 to 1967 in schools on two Hawaiian islands. In six phases of data collection, 88 teachers described 2,572 of their students, using one of five different sets of personality variables. The present report provides findings from new analyses of these important data, which have never before been analyzed in a comprehensive manner. When factors developed from carefully selected markers of the Big-Five factor structure were compared to those based on the total set of variables in each sample, the congruence between both types of factors was quite high. Attempts to extend the structure to 6 and 7 factors revealed no other broad factors beyond the Big Five in any of the 6 samples. These robust findings provide significant new evidence for the structure of teacher-based assessments of child personality attributes.

Transport properties of liquid metal hydrogen under high pressures

NASA Technical Reports Server (NTRS)

Brown, R. C.; March, N. H.

1972-01-01

A theory is developed for the compressibility and transport properties of liquid metallic hydrogen, near to its melting point and under high pressure. The interionic force law is assumed to be of the screened Coulomb type, because hydrogen has no core electrons. The random phase approximation is used to obtain the structure factor S(k) of the system in terms of the Fourier transform of this force law. The long wavelenth limit of the structure factor S(o) is related to the compressibility, which is much lower than that of alkali metals at their melting points. The diffusion constant at the melting point is obtained in terms of the Debye frequency, using a frequency spectrum analogous with the phonon spectrum of a solid. A similar argument is used to obtain the combined shear and bulk viscosities, but these depend also on S(o). The transport coefficients are found to be about the same size as those of alkali metals at their melting points.

Job satisfaction of Slovenian hospital nursing workforce.

PubMed

Prosen, Mirko; Piskar, Franka

2015-03-01

To test the psychometric properties of the McCloskey-Mueller Satisfaction Scale and to assess which of the McCloskey-Mueller Satisfaction Scale dimensionalities have a considerable impact on job satisfaction of nursing employees in three public Slovenian hospitals. Job satisfaction of nurses is linked to productivity, turnover, absenteeism and patient outcomes. Little is known about the factors contributing to job satisfaction among Slovenian hospital nurses. Understanding the contributing factors could help nurse managers to take appropriate measures. A cross-sectional survey study was used to obtain a sample of 169 registered nursing assistants and 74 registered nurses working in three public hospitals in Slovenia, from which data was obtained using the McCloskey-Mueller Satisfaction Scale. Dimensionality was tested using exploratory factor analysis. A seven-factor structure of 29 items was obtained, which accounted for 54.3% of the total variance in job satisfaction, and was internally consistent (Cronbach's alpha coefficient of the instrument was 0.78). The first factor 'Satisfaction with Interaction Opportunities', which is a component of the social rewards dimension in the McCloskey-Mueller Satisfaction Scale, explained 30.6% of the variation. The registered nursing assistants' job dissatisfaction was higher than that of the registered nurses. Both were mostly dissatisfied with professional opportunities. Using the factor analysis, a seven-factor structure was found instead of the originally introduced eight-factor model, which suggests a need for further redevelopment of the McCloskey-Mueller Satisfaction Scale. The results suggest that operational management needs to revitalize the work environment by ensuring proactive leadership and allowing participation in the decision-making process, while health-care organisations need to support the professional development of registered nursing assistants and registered nurses in order to achieve sustainable effects in job satisfaction. © 2013 John Wiley & Sons Ltd.

Evaluation of Colorado Learning Attitudes about Science Survey

NASA Astrophysics Data System (ADS)

Douglas, K. A.; Yale, M. S.; Bennett, D. E.; Haugan, M. P.; Bryan, L. A.

2014-12-01

The Colorado Learning Attitudes about Science Survey (CLASS) is a widely used instrument designed to measure student attitudes toward physics and learning physics. Previous research revealed a fairly complex factor structure. In this study, exploratory and confirmatory factor analyses were conducted on data from an undergraduate introductory physics course (n =3844 ) to determine whether a more parsimonious factor structure exists. Exploratory factor analysis results indicate that many of the items from the original CLASS have poor psychometric properties and could not be used in a revised factor structure. The cross validation showed acceptable fit statistics for a three factor model found in the exploratory factor analysis. This research suggests that a more optimum measurement of students' attitudes about physics and learning physics is obtained with a 15-item instrument, which describes the factors of personal application, personal effort, and problem solving. The proposed revised version of the CLASS offers researchers the opportunity to test a shortened version of the instrument that may be able to provide information about students' attitudes in the areas of personal application of physics, personal effort in a physics course, and approaches to problem solving.

Thermoelastic damping effect of the micro-ring resonator with irregular mass and stiffness

NASA Astrophysics Data System (ADS)

Kim, Jung-Hwan; Kim, Ji-Hwan

2016-05-01

Fundamentally, vibration characteristic is a main factor for the stability of structures. In this regard, the irregularity of mass and stiffness distributions for the structure have been an interesting issue for many years. Recently, the Micro Electro Mechanical Systems (MEMS) are developed for various applications such as gyro sensors. In the present work, in-plane vibration of micro-ring structure with multiple finite-sized imperfections is investigated. Then, the unbalance of the structure is represented using Heaviside Step Function for the inextensional modeling of the ring. Also, thermoelastic damping (TED) due to internal friction is studied based on Fourier's one-dimensional heat conduction equation using Laplace Transform. To obtain the quality-factors (Q-factors) for imperfect micro-ring, analytical solutions are calculated from governing equations of motion with TED. And then, the natural frequencies and the Q-factors are observed to separate into lower and higher modes. Additionally, the vibration mode shapes are presented, and the frequency trimming concept due to attached imperfections is investigated.

Evaluation of damping loss factor of flat laminates by sound transmission

NASA Astrophysics Data System (ADS)

Parrinello, A.; Ghiringhelli, G. L.

2018-06-01

A novel approach to investigate and evaluate the damping loss factor of a planar multilayered structure is presented. A statistical analysis reveals the connection between the damping properties of the structure and the transmission of sound through the thickness of its laterally infinite counterpart. The obtained expression for the panel loss factor involves all the derivatives of the transmission and reflection coefficients of the layered structure with respect each layer damping. The properties of the fluid for which the sound transmission is evaluated are chosen to fulfil the hypotheses on the basis of the statistical formulation. A transfer matrix approach is used to compute the required transmission and reflection coefficients, making it possible to deal with structures having arbitrary stratifications of different layers and also granting high efficiency in a wide frequency range. Comparison with alternative formulations and measurements demonstrates the effectiveness of the proposed methodology.

Validation of the Spanish version of Mackey childbirth satisfaction rating scale.

PubMed

Caballero, Pablo; Delgado-García, Beatriz E; Orts-Cortes, Isabel; Moncho, Joaquin; Pereyra-Zamora, Pamela; Nolasco, Andreu

2016-04-16

The "Mackey Childbirth Satisfaction Rating Scale" (MCSRS) is a complete non-validated scale which includes the most important factors associated with maternal satisfaction. Our primary purpose was to describe the internal structure of the scale and validate the reliability and validity of concept of its Spanish version MCSRS-E. The MCSRS was translated into Spanish, back-translated and adapted to the Spanish population. It was then administered following a pilot test with women who met the study participant requirements. The scale structure was obtained by performing an exploratory factorial analysis using a sample of 304 women. The structures obtained were tested by conducting a confirmatory factorial analysis using a sample of 159 women. To test the validity of concept, the structure factors were correlated with expectations prior to childbirth experiences. McDonald's omegas were calculated for each model to establish the reliability of each factor. The study was carried out at four University Hospitals; Alicante, Elche, Torrevieja and Vinalopo Salud of Elche. The inclusion criteria were women aged 18-45 years old who had just delivered a singleton live baby at 38-42 weeks through vaginal delivery. Women who had difficulty speaking and understanding Spanish were excluded. The process generated 5 different possible internal structures in a nested model more consistent with the theory than other internal structures of the MCSRS applied hitherto. All of them had good levels of validation and reliability. This nested model to explain internal structure of MCSRS-E can accommodate different clinical practice scenarios better than the other structures applied to date, and it is a flexible tool which can be used to identify the aspects that should be changed to improve maternal satisfaction and hence maternal health.

Recombinant expression of Ixolaris, a Kunitz-type inhibitor from the tick salivary gland, for NMR studies.

PubMed

De Paula, V S; Silva, F H S; Francischetti, I M B; Monteiro, R Q; Valente, A P

2017-11-01

Ixolaris is an anticoagulant protein identified in the tick saliva of Ixodes scapularis. Ixolaris contains 2 Kunitz like domains and binds to Factor Xa or Factor X as a scaffold for inhibition of the Tissue Factor (TF)/Factor VIIa (FVIIa). In contrast to tissue factor pathway inhibitor (TFPI), however, Ixolaris does not bind to the active site cleft of FXa. Instead, complex formation is mediated by the FXa heparin-binding exosite. Due to its potent and long-lasting antithrombotic activity, Ixolaris is a promising agent for anticoagulant therapy. Although numerous functional studies of Ixolaris exist, three-dimensional structure of Ixolaris has not been obtained at atomic resolution. Using the pET32 vector, we successfully expressed a TRX-His 6 -Ixolaris fusion protein. By combining Ni-NTA chromatography, enterokinase protease cleavage, and reverse phase HPLC (RP-HPLC), we purified isotopically labeled Ixolaris for NMR studies. 1D 1 H and 2D 15 N- 1 H NMR analysis yielded high quality 2D 15 N- 1 H HSQC spectra revealing that the recombinant protein is folded. These studies represent the first steps in obtaining high-resolution structural information by NMR for Ixolaris enabling the investigation of the molecular basis for Ixolaris-coagulation factors interactions. Copyright © 2017 Elsevier Inc. All rights reserved.

Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood-brain barrier penetration of α-adrenergic/imidazoline receptor ligands, and QSPR analysis.

PubMed

Vucicevic, J; Popovic, M; Nikolic, K; Filipic, S; Obradovic, D; Agbaba, D

2017-03-01

For this study, 31 compounds, including 16 imidazoline/α-adrenergic receptor (IRs/α-ARs) ligands and 15 central nervous system (CNS) drugs, were characterized in terms of the retention factors (k) obtained using biopartitioning micellar and classical reversed phase chromatography (log k BMC and log k wRP , respectively). Based on the retention factor (log k wRP ) and slope of the linear curve (S) the isocratic parameter (φ 0 ) was calculated. Obtained retention factors were correlated with experimental log BB values for the group of examined compounds. High correlations were obtained between logarithm of biopartitioning micellar chromatography (BMC) retention factor and effective permeability (r(log k BMC /log BB): 0.77), while for RP-HPLC system the correlations were lower (r(log k wRP /log BB): 0.58; r(S/log BB): -0.50; r(φ 0 /P e ): 0.61). Based on the log k BMC retention data and calculated molecular parameters of the examined compounds, quantitative structure-permeability relationship (QSPR) models were developed using partial least squares, stepwise multiple linear regression, support vector machine and artificial neural network methodologies. A high degree of structural diversity of the analysed IRs/α-ARs ligands and CNS drugs provides wide applicability domain of the QSPR models for estimation of blood-brain barrier penetration of the related compounds.

The quasi-equilibrium response of MOS structures: Quasi-static factor

NASA Astrophysics Data System (ADS)

Okeke, M.; Balland, B.

1984-07-01

The dynamic response of a MOS structure driven into a non-equilibrium behaviour by a voltage ramp is presented. In contrast to Khun's quasi-static technique it is shown that any ramp-driven MOS structure has some degree of non-equilibrium. A quasi staticity factor μAK which serves as a measure of the degree of quasi-equilibrium, has been introduced for the first time. The mathematical model presented in the paper allows a better explanation of the experimental recordings. It is shown that this model could be used to analyse the various features of the response of the structure and that such physical parameters as the generation-rate, trap activation energy, and the effective capture constants could be obtained.

Pair potentials for liquid sodium near freezing from electron theory and from inversion of the measured structure factor

NASA Astrophysics Data System (ADS)

Perrot, F.; March, N. H.

An effective pair potential for liquid sodium near freezing has been calculated from electron theory using the density-functional method. The main features of the potential extracted by Reatto, Levesque, and Weis [phys. Rev. A 33, 3451 (1986)] by inverting the measured structure factor of Greenfield, Wellendorf, and Wiser [Phys. Rev. A 4, 1607 (1971)] are faithfully reflected by electron theory. To obtain precise agreement between the two methods will evidently require further progress in setting up nonlocal exchange and correlation functionals.

Extending the applicability of the Goldschmidt tolerance factor to arbitrary ionic compounds

PubMed Central

Sato, Toyoto; Takagi, Shigeyuki; Deledda, Stefano; Hauback, Bjørn C.; Orimo, Shin-ichi

2016-01-01

Crystal structure determination is essential for characterizing materials and their properties, and can be facilitated by various tools and indicators. For instance, the Goldschmidt tolerance factor (T) for perovskite compounds is acknowledged for evaluating crystal structures in terms of the ionic packing. However, its applicability is limited to perovskite compounds. Here, we report on extending the applicability of T to ionic compounds with arbitrary ionic arrangements and compositions. By focussing on the occupancy of constituent spherical ions in the crystal structure, we define the ionic filling fraction (IFF), which is obtained from the volumes of crystal structure and constituent ions. Ionic compounds, including perovskites, are arranged linearly by the IFF, providing consistent results with T. The linearity guides towards finding suitable unit cell and composition, thus tackling the main obstacle for determining new crystal structures. We demonstrate the utility of the IFF by solving the structure of three hydrides with new crystal structures. PMID:27032978

Extending the applicability of the Goldschmidt tolerance factor to arbitrary ionic compounds.

PubMed

Sato, Toyoto; Takagi, Shigeyuki; Deledda, Stefano; Hauback, Bjørn C; Orimo, Shin-ichi

2016-04-01

Crystal structure determination is essential for characterizing materials and their properties, and can be facilitated by various tools and indicators. For instance, the Goldschmidt tolerance factor (T) for perovskite compounds is acknowledged for evaluating crystal structures in terms of the ionic packing. However, its applicability is limited to perovskite compounds. Here, we report on extending the applicability of T to ionic compounds with arbitrary ionic arrangements and compositions. By focussing on the occupancy of constituent spherical ions in the crystal structure, we define the ionic filling fraction (IFF), which is obtained from the volumes of crystal structure and constituent ions. Ionic compounds, including perovskites, are arranged linearly by the IFF, providing consistent results with T. The linearity guides towards finding suitable unit cell and composition, thus tackling the main obstacle for determining new crystal structures. We demonstrate the utility of the IFF by solving the structure of three hydrides with new crystal structures.

Wear Resistance of Steels with Surface Nanocrystalline Structure Generated by Mechanical-Pulse Treatment.

PubMed

Nykyforchyn, Hryhoriy; Kyryliv, Volodymyr; Maksymiv, Olha

2017-12-01

The influence of the surface mechanical-pulse treatment based on high-speed friction with a rapid cooling by the technological environment on the wear resistance of medium- and high-carbon steels was considered. The treatment due to a severe plastic deformation enabled obtaining the nanocrystalline structure with a grain size of 14-40 nm. A high positive effect of this treatment was obtained not only because of metal nanocrystallization but also thanks to other factors, namely, structural-phase transformations, carbon saturation of the surface due to decomposition of the coolant and the friction coefficient decrease. Higher carbon content leads to better strengthening of the surface, and its microhardness can reach 12 GPa.

Bayes Factor Covariance Testing in Item Response Models.

PubMed

Fox, Jean-Paul; Mulder, Joris; Sinharay, Sandip

2017-12-01

Two marginal one-parameter item response theory models are introduced, by integrating out the latent variable or random item parameter. It is shown that both marginal response models are multivariate (probit) models with a compound symmetry covariance structure. Several common hypotheses concerning the underlying covariance structure are evaluated using (fractional) Bayes factor tests. The support for a unidimensional factor (i.e., assumption of local independence) and differential item functioning are evaluated by testing the covariance components. The posterior distribution of common covariance components is obtained in closed form by transforming latent responses with an orthogonal (Helmert) matrix. This posterior distribution is defined as a shifted-inverse-gamma, thereby introducing a default prior and a balanced prior distribution. Based on that, an MCMC algorithm is described to estimate all model parameters and to compute (fractional) Bayes factor tests. Simulation studies are used to show that the (fractional) Bayes factor tests have good properties for testing the underlying covariance structure of binary response data. The method is illustrated with two real data studies.

Curriculum Integration in Context: An Exploration of How Structures and Circumstances Affect Design and Implementation.

ERIC Educational Resources Information Center

Johnson, Amy Bell; Charner, Ivan; White, Robin

In order to obtain firsthand information about different approaches and strategies for curriculum integration, case studies of curriculum integration models were conducted in seven sites across the United States. It was concluded that the presence or lack of certain contextual factors related to structure and operations had implications for the…

Are Behavior Problems in Preschool Children Related to Big-Five Markers.

ERIC Educational Resources Information Center

Martin, Roy P.

This study investigated whether the "Big-5" structure (a 5-factor model used to capture variance in adult personality) can be obtained from parental ratings of 4-year-old children using traditional markers of this structure that are derived primarily from research on adult personality. The study also examined whether Big-5 markers can be…

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

Roy, Surajit; Ladpli, Purim; Chang, Fu-Kuo

Accurate interpretation of in-situ piezoelectric sensor signals is a challenging task. This article presents the development of a numerical compensation model based on physical insight to address the influence of structural loads on piezo-sensor signals. The model requires knowledge of in-situ strain and temperature distribution in a structure while acquiring sensor signals. The parameters of the numerical model are obtained using experiments on flat aluminum plate under uniaxial tensile loading. It is shown that the model parameters obtained experimentally can be used for different structures, and sensor layout. Furthermore, the combined effects of load and temperature on the piezo-sensor responsemore » are also investigated and it is observed that both of these factors have a coupled effect on the sensor signals. It is proposed to obtain compensation model parameters under a range of operating temperatures to address this coupling effect. An important outcome of this study is a new load monitoring concept using in-situ piezoelectric sensor signals to track changes in the load paths in a structure.« less

[Kinematics Modeling and Analysis of Central-driven Robot for Upper Limb Rehabilitation after Stroke].

PubMed

Yi, Jinhua; Yu, Hongliu; Zhang, Ying; Hu, Xin; Shi, Ping

2015-12-01

The present paper proposed a central-driven structure of upper limb rehabilitation robot in order to reduce the volume of the robotic arm in the structure, and also to reduce the influence of motor noise, radiation and other adverse factors on upper limb dysfunction patient. The forward and inverse kinematics equations have been obtained with using the Denavit-Hartenberg (D-H) parameter method. The motion simulation has been done to obtain the angle-time curve of each joint and the position-time curve of handle under setting rehabilitation path by using Solid Works software. Experimental results showed that the rationality with the central-driven structure design had been verified by the fact that the handle could move under setting rehabilitation path. The effectiveness of kinematics equations had been proved, and the error was less than 3° by comparing the angle-time curves obtained from calculation with those from motion simulation.

The influence of the structure of the metal load removal from liquid steel in electric arc furnaces

NASA Astrophysics Data System (ADS)

Pǎcurar, Cristina; Hepuť, Teodor; Crisan, Eugen

2016-06-01

One of the main technical and economic indicators in the steel industry and steel respectively the development it is the removal of liquid steel. This indicator depends on several factors, namely technology: the structure and the quality metal load, the degree of preparedness of it, and the content of non-metallic material accompanying the unit of drawing up, the technology for the elaboration, etc. research has been taken into account in drawing up steel electric arc furnace type spring EBT (Electric Bottom taping), seeking to load and removing components of liquid steel. Metal load has been composed of eight metal grades, in some cases with great differences in terms of quality. Data obtained were processed in the EXCEL spreadsheet programs and MATLAB, the results obtained being presented both graphically and analytically. On the basis of the results obtained may opt for a load optimal structure metal.

N* Experiments and Their Impact on Strong QCD Physics

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

Burkert, Volker D.

Here, I give a brief overview of experimental studies of the spectrum and the structure of the excited states of the nucleon and what we learn about their internal structure. The focus is on the effort to obtain a more complete picture of the light-quark baryon excitation spectrum employing electromagnetic beams, and on the study of the transition form factors and helicity amplitudes and their dependence on the size of the four-momentum transfer $Q^2$, especially on some of the most prominent resonances. These were obtained in pion and eta electroproduction experiments off proton targets.

N^* Experiments and Their Impact on Strong QCD Physics

NASA Astrophysics Data System (ADS)

Burkert, Volker D.

2018-07-01

I give a brief report on experimental studies of the spectrum and the structure of the excited states of the nucleon and what we learn about their internal structure. The focus is on the effort to obtain a more complete picture of the light-quark baryon excitation spectrum employing electromagnetic beams, and on the study of the transition form factors and helicity amplitudes an their dependence on the size of the four-momentum transfer Q^2, especially on some of the most prominent resonances. These were obtained in pion and eta electroproduction experiments off proton targets.

N* Experiments and Their Impact on Strong QCD Physics

DOE PAGES

Burkert, Volker D.

2018-04-23

Here, I give a brief overview of experimental studies of the spectrum and the structure of the excited states of the nucleon and what we learn about their internal structure. The focus is on the effort to obtain a more complete picture of the light-quark baryon excitation spectrum employing electromagnetic beams, and on the study of the transition form factors and helicity amplitudes and their dependence on the size of the four-momentum transfer $Q^2$, especially on some of the most prominent resonances. These were obtained in pion and eta electroproduction experiments off proton targets.

Hydrides of intermetallic compounds with a H/M ratio greater than unity obtained at high hydrogen pressures

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

Semenenko, K.N.; Klyamkin, S.N.

1993-11-01

Novel hydride phases with H/M > 1 based on Zr{sub 2}Pd, Hf{sub 2}Pd, and Hf{sub 2}Cu (structures of the MoSi{sub 2} type) have been synthesized at high H{sub 2} pressures. The X-ray diffraction investigations of the resulting hydrides have been carried out. Some factors determining the maximum hydrogen content in the hydrides of intermetallic compounds are discussed. A model structure of the hydrides obtained is proposed, which assumes the possibility of direct H-H interactions when the interatomic distances are less than 1 {angstrom}.

The Factor Structure of the Aggression Questionnaire With Violent Offenders.

PubMed

Pettersen, Cathrine; Nunes, Kevin L; Cortoni, Franca

2018-05-01

The Buss-Perry Aggression Questionnaire (AQ) is a self-report measure of aggressiveness commonly employed in nonforensic and forensic settings and is included in violent offender pre- and posttreatment assessment batteries. The aim of the current study was to assess the fit of the four-factor model of the AQ with violent offenders ( N = 271), a population for which the factor structure of the English version of the AQ has not previously been examined. Confirmatory factor analyses did not yield support for the four-factor model of the original 29-item AQ. Acceptable fit was obtained with the 12-item short form, but careful examination of the relationships between the latent factors revealed that the four subscales of the AQ may not represent distinct aspects of aggressiveness. Our findings call into question whether the AQ optimally measures trait aggressiveness among violent offenders.

Factor structure and sex differences on the Wechsler Preschool and Primary Scale of Intelligence in China, Japan and United States.

PubMed

Liu, Jianghong; Lynn, Richard

2011-08-01

This study presents data on the factor structure of the Wechsler Preschool and Primary Scale of Intelligence (WPPSI) and sex and cultural differences in WPPSI test scores among 5- and 6-year-olds from China, Japan, and the United States. Results show the presence of a verbal and nonverbal factor structure across all three countries. Sex differences on the 10 subtests were generally consistent, with a male advantage on a subtest of spatial abilities (Mazes). Males in the Chinese sample obtained significantly higher Full Scale IQ scores than females and had lower variability in their test scores. These observations were not present in the Japan and United States samples. Mean Full Scale IQ score in the Chinese sample was 104.1, representing a 4-point increase from 1988 to 2004.

Racial bias and the MCMI.

PubMed

Choca, J P; Shanley, L A; Peterson, C A; Van Denburg, E

1990-01-01

We studied the scores obtained on the Millon Clinical Multiaxial Inventory (MCMI) by Black and White male psychiatric inpatients to determine the presence or absence of racial bias. In predicting psychopathology for the two races, comparisons of MCMI performance indicated significant differences for all diagnoses except the personality disorders. The subjects were then matched into two groups of 209 patients each, according to DSM-III psychiatric diagnoses. The data were analyzed at the item, scale, and structural levels. At the item level, application of the Mantel-Haenszel Procedure revealed that 45 of the 175 items of the inventory were answered significantly different by the two racial groups. Because this number was higher than what could be expected by chance, the finding suggested possible deficiencies in terms of the culture-fairness of the items used in the test. At the scale level, an analysis of variance (ANOVA) demonstrated that the scores obtained by the Black and White groups were significantly different in 9 of the 20 scales (Histrionic, Narcissistic, Antisocial, Paraphrenia, Hypomania, Dysthymia, Alcohol Abuse, Drug Abuse, and Psychotic Delusion). With the exception of the Dysthymic scale, all of the differences were in the direction of the Blacks obtaining a higher score than the Whites. At the structural level, however, a principal components factor analysis performed on each group resulted in factor structures that looked identical.

Correlations between brain structure and symptom dimensions of psychosis in schizophrenia, schizoaffective, and psychotic bipolar I disorders.

PubMed

Padmanabhan, Jaya L; Tandon, Neeraj; Haller, Chiara S; Mathew, Ian T; Eack, Shaun M; Clementz, Brett A; Pearlson, Godfrey D; Sweeney, John A; Tamminga, Carol A; Keshavan, Matcheri S

2015-01-01

Structural alterations may correlate with symptom severity in psychotic disorders, but the existing literature on this issue is heterogeneous. In addition, it is not known how cortical thickness and cortical surface area correlate with symptom dimensions of psychosis. Subjects included 455 individuals with schizophrenia, schizoaffective, or bipolar I disorders. Data were obtained as part of the Bipolar Schizophrenia Network for Intermediate Phenotypes study. Diagnosis was made through the Structured Clinical Interview for DSM-IV. Positive and negative symptom subscales were assessed using the Positive and Negative Syndrome Scale. Structural brain measurements were extracted from T1-weight structural MRIs using FreeSurfer v5.1 and were correlated with symptom subscales using partial correlations. Exploratory factor analysis was also used to identify factors among those regions correlating with symptom subscales. The positive symptom subscale correlated inversely with gray matter volume (GMV) and cortical thickness in frontal and temporal regions, whereas the negative symptom subscale correlated inversely with right frontal cortical surface area. Among regions correlating with the positive subscale, factor analysis identified four factors, including a temporal cortical thickness factor and frontal GMV factor. Among regions correlating with the negative subscale, factor analysis identified a frontal GMV-cortical surface area factor. There was no significant diagnosis by structure interactions with symptom severity. Structural measures correlate with positive and negative symptom severity in psychotic disorders. Cortical thickness demonstrated more associations with psychopathology than cortical surface area. © The Author 2014. Published by Oxford University Press on behalf of the Maryland Psychiatric Research Center. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Criteria of Career Success among Chinese Employees: Developing a Multidimensional Scale with Qualitative and Quantitative Approaches

ERIC Educational Resources Information Center

Zhou, Wenxia; Sun, Jianmin; Guan, Yanjun; Li, Yuhui; Pan, Jingzhou

2013-01-01

The current research aimed to develop a multidimensional measure on the criteria of career success in a Chinese context. Items on the criteria of career success were obtained using a qualitative approach among 30 Chinese employees; exploratory factor analysis was conducted to select items and determine the factor structure among a new sample of…

Validity and reliability of bilingual English-Arabic version of Schutte self report emotional intelligence scale in an undergraduate Arab medical student sample.

PubMed

Naeem, Naghma; Muijtjens, Arno

2015-04-01

The psychological construct of emotional intelligence (EI), its theoretical models, measurement instruments and applications have been the subject of several research studies in health professions education. The objective of the current study was to investigate the factorial validity and reliability of a bilingual version of the Schutte Self Report Emotional Intelligence Scale (SSREIS) in an undergraduate Arab medical student population. The study was conducted during April-May 2012. A cross-sectional survey design was employed. A sample (n = 467) was obtained from undergraduate medical students belonging to the male and female medical college of King Saud University, Riyadh, Saudi Arabia. Exploratory and confirmatory factor analysis was performed using SPSS 16.0 and AMOS 4.0 statistical software to determine the factor structure. Reliability was determined using Cronbach's alpha statistics. The results obtained using an undergraduate Arab medical student sample supported a multidimensional; three factor structure of the SSREIS. The three factors are Optimism, Awareness-of-Emotions and Use-of-Emotions. The reliability (Cronbach's alpha) for the three subscales was 0.76, 0.72 and 0.55, respectively. Emotional intelligence is a multifactorial construct (three factors). The bilingual version of the SSREIS is a valid and reliable measure of trait emotional intelligence in an undergraduate Arab medical student population.

A Green's function formulation of the k→ ·p→ theory in the presence of spin-orbit interaction and magnetic field: Application to the electronic structure and related properties of w-GaN

NASA Astrophysics Data System (ADS)

Shadangi, Subrat K.; Mishra, Sambit R.; Tripathi, Gouri S.

2018-01-01

We use a Green's function perturbation formalism in the presence of an applied magnetic field and spin-orbit effects in the effective mass representation (EMR). The lack of lattice translational symmetry of the vector potential in the presence of the magnetic field is considered by redefining the Green's function in terms of the Peierls' phase factor. The equation of motion of the Green's function as a function of a magnetic wave vector was solved using perturbation theory, leading to expressions for the effective mass and the g-factor. We study the electronic structure of wurtzite GaN theoretically using the resulting k→ ·π→ method, where k→ is the electronic wave vector and π→ is the relativistic momentum operator by considering the conduction band edge and three valence bands. The k→ ·π→ Hamiltonians for the conduction band edge and the valence bands are diagonalized, considering the conduction band and one valence band at a time. We obtain electron and hole dispersions. Effects of other bands are considered by using perturbation theory. Resulting dispersions agree with the results of other calculations. In order to study the effective mass and the g-factor, we use the eigenvalues and eigenfunctions obtained after the diagonalization. Our results for the effective masses and the g-factors agree fairly well with available theoretical and experimental results, Temperature dependence of both the electronic effective mass and g-factor is studied and trends obtained agree with the existing experimental data.

Thermal stress cycling of GaAs solar cells

NASA Technical Reports Server (NTRS)

Janousek, B. K.; Francis, R. W.; Wendt, J. P.

1985-01-01

A thermal cycling experiment was performed on GaAs solar cells to establish the electrical and structural integrity of these cells under the temperature conditions of a simulated low-Earth orbit of 3-year duration. Thirty single junction GaAs cells were obtained and tests were performed to establish the beginning-of-life characteristics of these cells. The tests consisted of cell I-V power output curves, from which were obtained short-circuit current, open circuit voltage, fill factor, and cell efficiency, and optical micrographs, spectral response, and ion microprobe mass analysis (IMMA) depth profiles on both the front surfaces and the front metallic contacts of the cells. Following 5,000 thermal cycles, the performance of the cells was reexamined in addition to any factors which might contribute to performance degradation. It is established that, after 5,000 thermal cycles, the cells retain their power output with no loss of structural integrity or change in physical appearance.

[Multifactor Organizational Stress Risk Questionnaire--MOSRQ: a preliminary study of dimensions and structure].

PubMed

Zuffo, Riccardo Giorgio; Ferretti, Maria Santa

2012-01-01

INTRODUCTION. The aim of the present study is to demonstrate the validity of the MOSRQ, a questionnaire for the assessment of work related stress risk. This questionnaire has 38 items: 19 related to organizational stressors and 19 to strains. Firstly, it was performed a critical analysis of instruments reported in scientific literature; then relevant items about sources and consequences of work related stress were selected in order to obtain the questionnaire. Finally MOSRQ was administered to a sample of 2314 subjects mainly employed in private firms belonging to industry and service sectors. MOSRQ obtains a good index of reliability (alpha = .89 for organizational stressor/antecedents and alpha = .92 for strain/outcome). Factor analysis presents a structure with 3 factors both for the antecedents and for the outcomes of work related stress. In conclusion, it is claimed that MOSRQ has the necessary psychometric characteristics for use in research as well as in organizational contexts.

Leadership: validation of a self-report scale.

PubMed

Dussault, Marc; Frenette, Eric; Fernet, Claude

2013-04-01

The aim of this paper was to propose and test the factor structure of a new self-report questionnaire on leadership. A sample of 373 school principals in the Province of Quebec, Canada completed the initial 46-item version of the questionnaire. In order to obtain a questionnaire of minimal length, a four-step procedure was retained. First, items analysis was performed using Classical Test Theory. Second, Rasch analysis was used to identify non-fitting or overlapping items. Third, a confirmatory factor analysis (CFA) using structural equation modelling was performed on the 21 remaining items to verify the factor structure of the scale. Results show that the model with a single third-order dimension (leadership), two second-order dimensions (transactional and transformational leadership), and one first-order dimension (laissez-faire leadership) provides a good fit to the data. Finally, invariance of factor structure was assessed with a second sample of 222 vice-principals in the Province of Quebec, Canada. This model is in agreement with the theoretical model developed by Bass (1985), upon which the questionnaire is based.

School Motivation Questionnaire for the Portuguese population: structure and psychometric studies.

PubMed

Cordeiro, Pedro Miguel Gomes; Figueira, Ana Paula Couceiro; da Silva, José Tomás; Matos, Lennia

2012-11-01

It is presented the structure and psychometric studies of the "School Motivation Questionnaire". The SMQ is a self-report questionnaire with 101 items, organized in sixteen scales that measure the students' goal orientations, the perceived classroom goal structures, the perceived teacher's autonomy support and the use of learning strategies. Twelve scales are adapted from the "Learning Climate Questionnaire", "Perceptions of Instrumentality" and "Cuestionário a Estudiantes". Four scales and five additional items are created new. The psychometric studies rely on a convenience sample consisting of 9th and 12th grade students (N = 485) of Portuguese schools. The factorial and construct validity, verified through several exploratory factorial analyses to the data, presents a final solution of six factors, labelled Strategies (F1), Teacher Extrinsic Goals (F2), Student Extrinsic Goals, Externally Regulated (F3) Teacher Intrinsic Goals (F4), Student Extrinsic Goals, Internally Regulated (F5), and Student Intrinsic Goals (F6). The six-factor solution explains a significant variance of the scale results (53.95%). Good coefficients of internal consistency are obtained for all factors, never below (.858; F6). In sum there is strong evidence to support the multi-dimensionality of SMQ, upholding that the data obtained is exploratory and applies for future validation studies.

Work Engagement among Rescue Workers: Psychometric Properties of the Portuguese UWES

PubMed Central

Sinval, Jorge; Marques-Pinto, Alexandra; Queirós, Cristina; Marôco, João

2018-01-01

Rescue workers have a stressful and risky occupation where being engaged is crucial to face physical and emotional risks in order to help other persons. This study aims to estimate work engagement levels of rescue workers (namely comparing nurses, firefighters, and police officers) and to assess the validity evidence related to the internal structure of the Portuguese versions of the UWES-17 and UWES-9, namely, dimensionality, measurement invariance between occupational groups, and reliability of the scores. To evaluate the dimensionality, we compared the fit of the three-factor model with the fit of a second-order model. A Portuguese version of the instrument was applied to a convenience sample of 3,887 rescue workers (50% nurses, 39% firefighters, and 11% police officers). Work engagement levels were moderate to high, with firefighters being the highest and nurses being the lowest engaged. Psychometric properties were evaluated in the three-factor original structure revealing acceptable fit to the data in the UWES-17, although the UWES-9 had better psychometric properties. Given the observed statistically significant correlations between the three original factors, we proposed a 2nd hierarchal structure that we named work engagement. The UWES-9 first-order model obtained full uniqueness measurement invariance, and the second-order model obtained partial (metric) second-order invariance. PMID:29403403

The thermal structure of Titan's atmosphere

NASA Technical Reports Server (NTRS)

Mckay, Christopher P.; Pollack, James B.; Courtin, Regis

1989-01-01

The present radiative-convective model of the Titan atmosphere thermal structure obtains the solar and IR radiation in a series of spectral intervals with vertical resolution. Haze properties have been determined with a microphysics model encompassing a minimum of free parameters. It is determined that gas and haze opacity alone, using temperatures established by Voyager observations, yields a model that is within a few percent of the radiative convective balance throughout the Titan atmosphere. Model calculations of the surface temperature are generally colder than the observed value by 5-10 K; better agreement is obtained through adjustment of the model parameters. Sunlight absorption by stratospheric haze and pressure-induced gas opacity in the IR are the most important thermal structure-controlling factors.

The effects of gamma irradiation on electrical characteristics of Zn/ZnO/n-Si/Au-Sb structure

NASA Astrophysics Data System (ADS)

Salari, M. Abdolahpour; Güzeldir, B.; Saǧlam, M.

2018-02-01

In this research, we have investigated the electrical characteristics of Zn/ZnO/n-Si/Au-Sb structure before and after 60Co gamma (γ)-ray source irradiation with the total dose range of 0-500 kGy at room temperature. Electrical measurements of this structure have been performed using current-voltage (I-V) and capacitance-voltage (C-V) techniques. Experimental results show that the values of the ideality factor obtained from I-V measurements increased and the values of the barrier height obtained from reverse-bias C-V measurements decreased after gamma-irradiation. The results show that the main effect of the radiation is the generation of laterally inhomogeneous defects near the semiconductor surface.

Computationally efficient modeling and simulation of large scale systems

NASA Technical Reports Server (NTRS)

Jain, Jitesh (Inventor); Cauley, Stephen F. (Inventor); Li, Hong (Inventor); Koh, Cheng-Kok (Inventor); Balakrishnan, Venkataramanan (Inventor)

2010-01-01

A method of simulating operation of a VLSI interconnect structure having capacitive and inductive coupling between nodes thereof. A matrix X and a matrix Y containing different combinations of passive circuit element values for the interconnect structure are obtained where the element values for each matrix include inductance L and inverse capacitance P. An adjacency matrix A associated with the interconnect structure is obtained. Numerical integration is used to solve first and second equations, each including as a factor the product of the inverse matrix X.sup.1 and at least one other matrix, with first equation including X.sup.1Y, X.sup.1A, and X.sup.1P, and the second equation including X.sup.1A and X.sup.1P.

Initial Biochemical Characterization of Cells Derived from Human Periodontium and Their In vitro Response to Platelet-Derived Growth Factor, Epidermal Growth Factor and Transforming Growth Factor-Beta

DTIC Science & Technology

1988-05-01

Periodontal disease is characterized by a loss of connective tissue...obtained for bone cells and fibroblasts. • " S,. O. ipr’ 0 II. LITERATURE REVIEW A . Periodontal Regeneration Periodontal disease is characterized by a ...fracture are felt to involve a similar sequence of cellular events. Since periodontal disease also involves the loss of soft tissue structures, such

A structural model of PpoA derived from SAXS-analysis-implications for substrate conversion.

PubMed

Koch, Christian; Tria, Giancarlo; Fielding, Alistair J; Brodhun, Florian; Valerius, Oliver; Feussner, Kirstin; Braus, Gerhard H; Svergun, Dmitri I; Bennati, Marina; Feussner, Ivo

2013-09-01

In plants and mammals, oxylipins may be synthesized via multi step processes that consist of dioxygenation and isomerization of the intermediately formed hydroperoxy fatty acid. These processes are typically catalyzed by two distinct enzyme classes: dioxygenases and cytochrome P450 enzymes. In ascomycetes biosynthesis of oxylipins may proceed by a similar two-step pathway. An important difference, however, is that both enzymatic activities may be combined in a single bifunctional enzyme. These types of enzymes are named Psi-factor producing oxygenases (Ppo). Here, the spatial organization of the two domains of PpoA from Aspergillus nidulans was analyzed by small-angle X-ray scattering and the obtained data show that the enzyme exhibits a relatively flat trimeric shape. Atomic structures of the single domains were obtained by template-based structure prediction and docked into the enzyme envelope of the low resolution structure obtained by SAXS. EPR-based distance measurements between the tyrosyl radicals formed in the activated dioxygenase domain of the enzyme supported the trimeric structure obtained from SAXS and the previous assignment of Tyr374 as radical-site in PpoA. Furthermore, two phenylalanine residues in the cytochrome P450 domain were shown to modulate the specificity of hydroperoxy fatty acid rearrangement. Copyright © 2013 Elsevier B.V. All rights reserved.

Latent factor structure of a behavioral economic marijuana demand curve.

PubMed

Aston, Elizabeth R; Farris, Samantha G; MacKillop, James; Metrik, Jane

2017-08-01

Drug demand, or relative value, can be assessed via analysis of behavioral economic purchase task performance. Five demand indices are typically obtained from drug purchase tasks. The goal of this research was to determine whether metrics of marijuana reinforcement from a marijuana purchase task (MPT) exhibit a latent factor structure that efficiently characterizes marijuana demand. Participants were regular marijuana users (n = 99; 37.4% female, 71.5% marijuana use days [5 days/week], 15.2% cannabis dependent) who completed study assessments, including the MPT, during a baseline session. Principal component analysis was used to examine the latent structure underlying MPT indices. Concurrent validity was assessed via examination of relationships between latent factors and marijuana use, past quit attempts, and marijuana expectancies. A two-factor solution was confirmed as the best fitting structure, accounting for 88.5% of the overall variance. Factor 1 (65.8% variance) reflected "Persistence," indicating sensitivity to escalating marijuana price, which comprised four MPT indices (elasticity, O max , P max , and breakpoint). Factor 2 (22.7% variance) reflected "Amplitude," indicating the amount consumed at unrestricted price (intensity). Persistence factor scores were associated with fewer past marijuana quit attempts and lower expectancies of negative use outcomes. Amplitude factor scores were associated with more frequent use, dependence symptoms, craving severity, and positive marijuana outcome expectancies. Consistent with research on alcohol and cigarette purchase tasks, the MPT can be characterized with a latent two-factor structure. Thus, demand for marijuana appears to encompass distinct dimensions of price sensitivity and volumetric consumption, with differential relations to other aspects of marijuana motivation.

Electrical resistivity and thermal conductivity of liquid aluminum in the two-temperature state

NASA Astrophysics Data System (ADS)

Petrov, Yu V.; Inogamov, N. A.; Mokshin, A. V.; Galimzyanov, B. N.

2018-01-01

The electrical resistivity and thermal conductivity of liquid aluminum in the two-temperature state is calculated by using the relaxation time approach and structural factor of ions obtained by molecular dynamics simulation. Resistivity witin the Ziman-Evans approach is also considered to be higher than in the approach with previously calculated conductivity via the relaxation time. Calculations based on the construction of the ion structural factor through the classical molecular dynamics and kinetic equation for electrons are more economical in terms of computing resources and give results close to the Kubo-Greenwood with the quantum molecular dynamics calculations.

Extracting the pair distribution function of liquids and liquid-vapor surfaces by grazing incidence x-ray diffraction mode.

PubMed

Vaknin, David; Bu, Wei; Travesset, Alex

2008-07-28

We show that the structure factor S(q) of water can be obtained from x-ray synchrotron experiments at grazing angle of incidence (in reflection mode) by using a liquid surface diffractometer. The corrections used to obtain S(q) self-consistently are described. Applying these corrections to scans at different incident beam angles (above the critical angle) collapses the measured intensities into a single master curve, without fitting parameters, which within a scale factor yields S(q). Performing the measurements below the critical angle for total reflectivity yields the structure factor of the top most layers of the water/vapor interface. Our results indicate water restructuring at the vapor/water interface. We also introduce a new approach to extract g(r), the pair distribution function (PDF), by expressing the PDF as a linear sum of error functions whose parameters are refined by applying a nonlinear least square fit method. This approach enables a straightforward determination of the inherent uncertainties in the PDF. Implications of our results to previously measured and theoretical predictions of the PDF are also discussed.

Hyperfine structure parametrisation in Maple

NASA Astrophysics Data System (ADS)

Gaigalas, G.; Scharf, O.; Fritzsche, S.

2006-02-01

In hyperfine structure examinations, routine high resolution spectroscopy methods have to be combined with exact fine structure calculations. The so-called magnetic A and electric B factor of the fine structure levels allow to check for a correct fine structure analysis, to find errors in the level designation, to find new levels and to probe the electron wavefunctions and its mixing coefficients. This is done by parametrisation of these factors into different contributions of the subshell electrons, which are split further into their radial and spin-angular part. Due to the routine with which hyperfine structure measurements are done, a tool for keeping the necessary information together, performing checks online with the experiment and deriving standard quantities is of great help. MAPLE [Maple is a registered trademark of Waterloo Maple Inc.] is a highly-developed symbolic programming language, often referred to as the pocket calculator of the future. Packages for theoretical atomic calculation exist ( RACAH and JUCYS) and the language meets all the requirements to keep and present information accessible for the user in a fast and practical way. We slightly extended the RACAH package [S. Fritzsche, Comput. Phys. Comm. 103 (1997) 51] and set up an environment for experimental hyperfine structure calculations, the HFS package. Supplying the fine structure and nuclear data, one is in the position to obtain information about the hyperfine spectrum, the different contributions to the splitting and to perform a least square fit of the radial parameters based on the semiempirical method. Experimentalist as well as theoretical physicist can do a complete hyperfine structure analysis using MAPLE. Program summaryTitle of program: H FS Catalogue number: ADXD Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXD Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: none Computers for which the program is designed: All computers with a license of the computer algebra package MAPLE Installations: University of Kassel (Germany) Operating systems under which the program has been tested: Linux 9.0 Program language used:MAPLE, Release 7, 8 and 9 Memory required to execute with typical data: 5 MB No. of lines in distributed program, including test data, etc.: 34 300 No. of bytes in distributed program, including test data, etc.: 954 196 Distribution format: tar.gz Nature of the physical problem: Atomic state functions of an many configuration many electron atom with several open shells are defined by a number of quantum numbers, by their coupling and selection rules such as the Pauli exclusion principal or parity conservation. The matrix elements of any one-particle operator acting on these wavefunctions can be analytically integrated up to the radial part [G. Gaigalas, O. Scharf, S. Fritzsche, Central European J. Phys. 2 (2004) 720]. The decoupling of the interacting electrons is general, the obtained submatrix element holds all the peculiarities of the operator in question. These so-called submatrix elements are the key to do hyperfine structure calculations. The interaction between the electrons and the atomic nucleus leads to an additional splitting of the fine structure lines, the hyperfine structure. The leading components are the magnetic dipole interaction defining the so-called A factor and the electric quadrupole interaction, defining the so-called B factor. They express the energetic splitting of the spectral lines. Moreover, they are obtained directly by experiments and can be calculated theoretically in an ab initio approach. A semiempirical approach allows the fitting of the radial parts of the wavefunction to the experimentally obtained A and B factors. Method of solution: Extending the existing csf_LS() and asf_LS() to several open shells and implementing a data structure level_LS() for the fine structure level, the atomic environment is defined in MAPLE. It is used in a general approach to decouple the interacting shells for any one-particle operator. Further submatrix elements for the magnetic dipole and electric quadrupole interaction are implemented, allowing to calculate the A and B factors up to the radial part. Several procedures for standard quantities of the hyperfine structure are defined, too. The calculations are accelerated by using a hyper-geometric approach for three, six and nine symbols. Restrictions onto the complexity of the problem: Only atomic state functions in nonrelativistic LS-coupling with states having l⩽3 are supported. Typical running time: The program replies promptly on most requests. The least square fit depends heavily on the number of levels and can take a few minutes.

Psychopathological dimensions of depression: a factor study of the 17-item Hamilton depression rating scale in unipolar depressed outpatients.

PubMed

Pancheri, P; Picardi, A; Pasquini, M; Gaetano, P; Biondi, M

2002-02-01

Agreement on the factor structure of the Hamilton Depression Rating Scale (HDRS) has not been consistent among studies, and some investigators argued that the scale's factor structure is not reliable. This study aimed at shedding more light on this debated issue. We studied 186 adults with unipolar depression (Major Depressive Disorder, n=80; Dysthymic Disorder, n=71; Depressive Disorder Not Otherwise Specified, n=25; Adjustment Disorder, n=10). They had no comorbid DSM-IV axis I or axis II disorders, and had received no treatment with antidepressant drugs in the previous 2 months. The factor structure of the scale was studied using the principal factor method, followed by oblique rotation. Factor scores were computed for each subject using the regression method. Using the scree-test criterion for factor extraction, we obtained a four-factor solution, explaining 43.8% of total variance. The four factors extracted were identified as (1) somatic anxiety/somatization factor; (2) a psychic anxiety dimension; (3) a pure depressive dimension; and (4) anorexia factor. Patients with Major Depressive Disorder scored significantly higher than patients with other diagnoses on the pure depressive dimension. These results need to be replicated in different cultures, using analogous factoring techniques. Though not exhibiting factorial invariance in the stricter sense of the term, the 17-item HDRS did exhibit a relatively reliable factor structure. Our analysis provides further evidence that the scale is multidimensional. However, as long as the multidimensional character of the scale is taken into account the scale should be able to play a useful role in clinical research.

Factors related to in-house agricultural animal caseloads in US veterinary teaching hospitals.

PubMed

Tyler, Jeff W; Miller, Robert B; Constable, Peter D; Hostetler, Douglas E; Lakritz, Jeff; Hardin, David K; Angel, Kenneth L; Wolfe, Dwight F

2002-01-01

A retrospective observational study was conducted to determine whether agricultural animal caseloads at veterinary teaching hospitals declined between 1995 and 1998. Thereafter, the effect of organizational and demographic factors on 1998 in-house agricultural animal caseloads was examined. Caseload data were obtained from the American Association of Veterinary Medical Colleges. Demographic and organizational data were obtained by surveys, telephone interviews, and web-based resources. Complete data were available from 25 veterinary colleges, and data from these schools were used in subsequent analyses. In 1998, in-house food animal caseload decreased relative to 1995 in 17 schools and increased relative to 1995 in 8 schools. This trend was not significant (P = .053); however, the power of the test was limited (.50). Mean 1998 caseload was 886 +/- 504. Among schools with a discipline-based organizational structure, annual mean caseload was 464 +/- 220. Among schools with a species-based organizational structure, mean caseload was 1,167 +/- 463. The regression model that best predicted caseload was a forward-stepping model that included only organizational structure as an independent variable. No additional independent variable was significantly associated with caseload.

Ab Initio Calculation of XAFS Debye-Waller Factors for Crystalline Materials

NASA Astrophysics Data System (ADS)

Dimakis, Nicholas

2007-02-01

A direct an accurate technique for calculating the thermal X-ray absorption fine structure (XAFS) Debye-Waller factors (DWF) for materials of crystalline structure is presented. Using the Density Functional Theory (DFT) under the hybrid X3LYP functional, a library of MnO spin—optimized clusters are built and their phonon spectrum properties are calculated; these properties in the form of normal mode eigenfrequencies and eigenvectors are in turn used for calculation of the single and multiple scattering XAFS DWF. DWF obtained via this technique are temperature dependent expressions and can be used to substantially reduce the number of fitting parameters when experimental spectra are fitted with a hypothetical structure without any ad hoc assumptions. Due to the high computational demand a hybrid approach of mixing the DFT calculated DWF with the correlated Debye model for inner and outer shells respectively is presented. DFT obtained DWFs are compared with corresponding values from experimental XAFS spectra on manganosite. The cluster size effect and the spin parameter on the DFT calculated DWFs are discussed.

Methylation of class I translation termination factors: structural and functional aspects.

PubMed

Graille, Marc; Figaro, Sabine; Kervestin, Stéphanie; Buckingham, Richard H; Liger, Dominique; Heurgué-Hamard, Valérie

2012-07-01

During protein synthesis, release of polypeptide from the ribosome occurs when an in frame termination codon is encountered. Contrary to sense codons, which are decoded by tRNAs, stop codons present in the A-site are recognized by proteins named class I release factors, leading to the release of newly synthesized proteins. Structures of these factors bound to termination ribosomal complexes have recently been obtained, and lead to a better understanding of stop codon recognition and its coordination with peptidyl-tRNA hydrolysis in bacteria. Release factors contain a universally conserved GGQ motif which interacts with the peptidyl-transferase centre to allow peptide release. The Gln side chain from this motif is methylated, a feature conserved from bacteria to man, suggesting an important biological role. However, methylation is catalysed by completely unrelated enzymes. The function of this motif and its post-translational modification will be discussed in the context of recent structural and functional studies. Copyright © 2012 Elsevier Masson SAS. All rights reserved.

Equivalent refractive-index structure constant of non-Kolmogorov turbulence.

PubMed

Li, Yujie; Zhu, Wenyue; Wu, Xiaoqing; Rao, Ruizhong

2015-09-07

The relationship between the non-Kolmogorov refractive-index structure constant and the Kolmogorov refractive-index structure constant is derived by using the refractive-index structure function and the variance of refractive-index fluctuations. It shows that the non-Kolmogorov structure constant is proportional to the Kolmogorov structure constant and the scaling factor depends on the outer scale and the spectral power law. For a fixed Kolmogorov structure constant, the non-Kolmogorov structure constant increases with a increasing outer scale for the power law less than 11/3, the trend is opposite for the power law greater than 11/3. This equivalent relation provides a way of obtaining the non-Kolmogorov structure constant by using the Kolmogorov structure constant.

SFCHECK: a unified set of procedures for evaluating the quality of macromolecular structure-factor data and their agreement with the atomic model.

PubMed

Vaguine, A A; Richelle, J; Wodak, S J

1999-01-01

In this paper we present SFCHECK, a stand-alone software package that features a unified set of procedures for evaluating the structure-factor data obtained from X-ray diffraction experiments and for assessing the agreement of the atomic coordinates with these data. The evaluation is performed completely automatically, and produces a concise PostScript pictorial output similar to that of PROCHECK [Laskowski, MacArthur, Moss & Thornton (1993). J. Appl. Cryst. 26, 283-291], greatly facilitating visual inspection of the results. The required inputs are the structure-factor amplitudes and the atomic coordinates. Having those, the program summarizes relevant information on the deposited structure factors and evaluates their quality using criteria such as data completeness, structure-factor uncertainty and the optical resolution computed from the Patterson origin peak. The dependence of various parameters on the nominal resolution (d spacing) is also given. To evaluate the global agreement of the atomic model with the experimental data, the program recomputes the R factor, the correlation coefficient between observed and calculated structure-factor amplitudes and Rfree (when appropriate). In addition, it gives several estimates of the average error in the atomic coordinates. The local agreement between the model and the electron-density map is evaluated on a per-residue basis, considering separately the macromolecule backbone and side-chain atoms, as well as solvent atoms and heterogroups. Among the criteria are the normalized average atomic displacement, the local density correlation coefficient and the polymer chain connectivity. The possibility of computing these criteria using the omit-map procedure is also provided. The described software should be a valuable tool in monitoring the refinement procedure and in assessing structures deposited in databases.

Factor structure of the Positive and Negative Affect Schedule (PANAS) in adult women with fibromyalgia from Southern Spain: the al-Ándalus project.

PubMed

Estévez-López, Fernando; Pulido-Martos, Manuel; Armitage, Christopher J; Wearden, Alison; Álvarez-Gallardo, Inmaculada C; Arrayás-Grajera, Manuel Javier; Girela-Rejón, María J; Carbonell-Baeza, Ana; Aparicio, Virginia A; Geenen, Rinie; Delgado-Fernández, Manuel; Segura-Jiménez, Víctor

2016-01-01

Fibromyalgia is a syndrome characterized by the presence of widespread chronic pain. People with fibromyalgia report lower levels of Positive Affect and higher levels of Negative Affect than non-fibromyalgia peers. The Positive and Negative Affect Schedule (PANAS)-a widely used questionnaire to assess two core domains of affect; namely 'Positive Affect' and 'Negative Affect' -has a controversial factor structure varying across studies. The internal structure of a measurement instrument has an impact on the meaning and validity of its score. Therefore, the aim of the present study was to assess the structural construct validity of the PANAS in adult women with fibromyalgia. This population-based cross-sectional study included 442 adult women with fibromyalgia (age: 51.3 ± 7.4 years old) from Andalusia (Southern Spain). Confirmatory factor analyses were conducted to test the factor structure of the PANAS. A structure with two correlated factors (Positive Affect and Negative Affect) obtained the best fit; S-B χ(2) = 288.49, df = 155, p < .001; RMSEA = .04; 90% CI of RMSEA = (.036, .052); the best fit SRMR = .05; CFI = .96; CAIC = -810.66, respectively. The present study demonstrates that both Positive Affect and Negative Affect are core dimensions of affect in adult women with fibromyalgia. A structure with two correlated factors of the PANAS emerged from our sample of women with fibromyalgia from Andalusia (Southern Spain). In this model, the amount of variance shared by Positive Affect and Negative Affect was small. Therefore, our findings support to use and interpret the Positive Affect and Negative Affect subscales of the PANAS as separate factors that are associated but distinctive as well.

Measuring Prosocial Tendencies in Germany: Sources of Validity and Reliablity of the Revised Prosocial Tendency Measure

PubMed Central

Rodrigues, Johannes; Ulrich, Natalie; Mussel, Patrick; Carlo, Gustavo; Hewig, Johannes

2017-01-01

The prosocial tendencies measure (PTM; Carlo and Randall, 2002) is a widely used measurement for prosocial tendencies in English speaking participants. This instrument distinguishes between six different types of prosocial tendencies that partly share some common basis, but also can be opposed to each other. To examine these constructs in Germany, a study with 1067 participants was conducted. The study investigated the structure of this German version of the PTM-R via exploratory factor analysis, confirmatory factor analysis, correlations with similar constructs in subsamples as well as via measurement invariance test concerning the original English version. The German translation showed a similar factor structure to the English version in exploratory factor analysis and in confirmatory factor analysis. Measurement invariance was found between the English and German language versions of the PTM and support for the proposed six-factor structure (altruistic, anonymous, compliant, dire, emotional and public prosocial behavior) was also found in confirmatory factor analysis. Furthermore, the expected interrelations of these factors of prosocial behavior tendencies were obtained. Finally, correlations of the prosocial behavior tendencies with validating constructs and behaviors were found. Thus, the findings stress the importance of seeing prosocial behavior not as a single dimension construct, but as a factored construct which now can also be assessed in German speaking participants. PMID:29270144

Three Dimensional Modeling of the Attenuation Structure in the Part of the Kumaon Himalaya, India Using Strong Motion Data

NASA Astrophysics Data System (ADS)

Joshi, A.; LAL, S.

2017-12-01

Attenuation property of the medium determines the amplitude of seismic waves at different locations during an earthquake. Attenuation can be defined by the inverse of the parameter known as quality factor `Q' (Knopoff, 1964). It has been observed that the peak ground acceleration in the strong motion accelerogram is associated with arrival of S-waves which is controlled mainly by the shear wave attenuation characteristics of the medium. In the present work attenuation structure is obtained using the modified inversion algorithm given by Joshi et al. (2010). The modified inversion algorithm is designed to provide three dimensional attenuation structure of the region at different frequencies. A strong motion network is installed in the Kumaon Himalaya by the Department of Earth Sciences, Indian Institute of Technology Roorkee under a major research project sponsored by the Ministry of Earth Sciences, Government of India. In this work the detailed three dimensional shear wave quality factor has been determined for the Kumaon Himalaya using strong motion data obtained from this network. In the present work 164 records from 26 events recorded at 15 stations located in an area of 129 km x 62 km has been used. The shear wave attenuation structure for the Kumaon Himalaya has been calculated by dividing the study region into 108 three dimensional rectangular blocks of size 22 km x 11 km x 5 km. The input to the inversion algorithm is the acceleration spectra of S wave identified from each record. A total of 164 spectra from equal number of accelerograms with sampling frequency of .024 Hz is used as an input to the algorithms. A total of 2048 three dimensional attenuation structure is obtained upto frequency of 50 Hz. The obtained structure at various frequencies is compared with the existing geological models in the region and it is seen that the obtained model correlated well with the geological model of the region. References: Joshi, A., Mohanty, M., Bansal, A. R., Dimri, V. P. and Chadha, R. K., 2010, Use of spectral acceleration data for determination of three dimensional attenuation structure in the Pithoragarh region of Kumaon Himalaya, J Seismol., 14, 247-272. Knopoff, L., 1964, Q, Reviews of Geophysics, 2, 625-660.

Preliminary Study of Applied Load Factors in Bumpy Air

NASA Technical Reports Server (NTRS)

Rhode, Richard V; Lundquist, Eugene E

1931-01-01

Theoretical relations involved in the study are reviewed to furnish a basis upon which experimental data can be properly analyzed. The structure of the atmosphere in relation to the load-factor problem is briefly discussed, and the acceleration data obtained on a number of flights with various airplanes are presented and analyzed to the extent that the results are applicable to n=any airplane.

Quantum superintegrable system with a novel chain structure of quadratic algebras

NASA Astrophysics Data System (ADS)

Liao, Yidong; Marquette, Ian; Zhang, Yao-Zhong

2018-06-01

We analyse the n-dimensional superintegrable Kepler–Coulomb system with non-central terms. We find a novel underlying chain structure of quadratic algebras formed by the integrals of motion. We identify the elements for each sub-structure and obtain the algebra relations satisfied by them and the corresponding Casimir operators. These quadratic sub-algebras are realized in terms of a chain of deformed oscillators with factorized structure functions. We construct the finite-dimensional unitary representations of the deformed oscillators, and give an algebraic derivation of the energy spectrum of the superintegrable system.

Essentialist beliefs about homosexuality: structure and implications for prejudice.

PubMed

Haslam, Nick; Levy, Sheri R

2006-04-01

The structure of beliefs about the nature of homosexuality, and their association with antigay attitudes, were examined in three studies (Ns = 309, 487, and 216). Contrary to previous research, three dimensions were obtained: the belief that homosexuality is biologically based, immutable, and fixed early in life; the belief that it is cross-culturally and historically universal; and the belief that it constitutes a discrete, entitative type with defining features. Study 1 supported a three-factor structure for essentialist beliefs about male homosexuality. Study 2 replicated this structure with confirmatory factor analysis, extended it to beliefs about lesbianism, showed that all three dimensions predicted antigay attitudes, and demonstrated that essentialist beliefs mediate associations between prejudice and gender, ethnicity, and religiosity. Study 3 replicated the belief structure and mediation effects in a community sample and showed that essentialist beliefs predict antigay prejudice independently of right-wing authoritarianism, social dominance orientation, and political conservatism.

Overview of refinement procedures within REFMAC5: utilizing data from different sources.

PubMed

Kovalevskiy, Oleg; Nicholls, Robert A; Long, Fei; Carlon, Azzurra; Murshudov, Garib N

2018-03-01

Refinement is a process that involves bringing into agreement the structural model, available prior knowledge and experimental data. To achieve this, the refinement procedure optimizes a posterior conditional probability distribution of model parameters, including atomic coordinates, atomic displacement parameters (B factors), scale factors, parameters of the solvent model and twin fractions in the case of twinned crystals, given observed data such as observed amplitudes or intensities of structure factors. A library of chemical restraints is typically used to ensure consistency between the model and the prior knowledge of stereochemistry. If the observation-to-parameter ratio is small, for example when diffraction data only extend to low resolution, the Bayesian framework implemented in REFMAC5 uses external restraints to inject additional information extracted from structures of homologous proteins, prior knowledge about secondary-structure formation and even data obtained using different experimental methods, for example NMR. The refinement procedure also generates the `best' weighted electron-density maps, which are useful for further model (re)building. Here, the refinement of macromolecular structures using REFMAC5 and related tools distributed as part of the CCP4 suite is discussed.

Protein Structural Information Derived from NMR Chemical Shift with the Neural Network Program TALOS-N

PubMed Central

Shen, Yang; Bax, Ad

2015-01-01

Summary Chemical shifts are obtained at the first stage of any protein structural study by NMR spectroscopy. Chemical shifts are known to be impacted by a wide range of structural factors and the artificial neural network based TALOS-N program has been trained to extract backbone and sidechain torsion angles from 1H, 15N and 13C shifts. The program is quite robust, and typically yields backbone torsion angles for more than 90% of the residues, and sidechain χ1 rotamer information for about half of these, in addition to reliably predicting secondary structure. The use of TALOS-N is illustrated for the protein DinI, and torsion angles obtained by TALOS-N analysis from the measured chemical shifts of its backbone and 13Cβ nuclei are compared to those seen in a prior, experimentally determined structure. The program is also particularly useful for generating torsion angle restraints, which then can be used during standard NMR protein structure calculations. PMID:25502373

Phase Transitions of Thermoelectric TAGS-85.

PubMed

Kumar, Anil; Vermeulen, Paul A; Kooi, Bart J; Rao, Jiancun; van Eijck, Lambert; Schwarzmüller, Stefan; Oeckler, Oliver; Blake, Graeme R

2017-12-18

The alloys (GeTe) x (AgSbTe 2 ) 100-x , commonly known as TAGS-x, are among the best performing p-type thermoelectric materials for the composition range 80 ≤ x ≤ 90 and in the temperature range 200-500 °C. They adopt a rhombohedrally distorted rocksalt structure at room temperature and are reported to undergo a reversible phase transition to a cubic structure at ∼250 °C. However, we show that, for the optimal x = 85 composition (TAGS-85), both the structural and thermoelectric properties are highly sensitive to the initial synthesis method employed. Single-phase rhombohedral samples exhibit the best thermoelectric properties but can only be obtained after an annealing step at 600 °C during initial cooling from the melt. Under faster cooling conditions, the samples obtained are inhomogeneous, containing multiple rhombohedral phases with a range of lattice parameters and exhibiting inferior thermoelectric properties. We also find that when the room-temperature rhombohedral phase is heated, an intermediate trigonal structure containing ordered cation vacancy layers is formed at ∼200 °C, driven by the spontaneous precipitation of argyrodite-type Ag 8 GeTe 6 which alters the stoichiometry of the TAGS-85 matrix. The rhombohedral and trigonal phases of TAGS-85 coexist up to 380 °C, above which a single cubic phase is obtained and the Ag 8 GeTe 6 precipitates redissolve into the matrix. On subsequent cooling a mixture of rhombohedral, trigonal, and Ag 8 GeTe 6 phases is again obtained. Initially single-phase samples exhibit thermoelectric power factors of up to 0.0035 W m -1 K -2 at 500 °C, a value that is maintained on subsequent thermal cycling and which represents the highest power factor yet reported for undoped TAGS-85. Therefore, control over the structural homogeneity of TAGS-85 as demonstrated here is essential in order to optimize the thermoelectric performance.

Influence of local meshing size on stress intensity factor of orthopedic lag screw

NASA Astrophysics Data System (ADS)

Husain, M. N.; Daud, R.; Basaruddin, K. S.; Mat, F.; Bajuri, M. Y.; Arifin, A. K.

2017-09-01

Linear elastic fracture mechanics (LEFM) concept is generally used to study the influence of crack on the performance of structures. In order to study the LEFM concept on damaged structure, the usage of finite element analysis software is implemented to do the simulation of the structure. Mesh generation is one of the most crucial procedures in finite element method. For the structure that crack or damaged, it is very important to determine the accurate local meshing size at the crack tip of the crack itself in order to get the accurate value of stress intensity factor, KI. Pre crack will be introduced to the lag screw based on the von mises' stress result that had been performed in previous research. This paper shows the influence of local mesh arrangement on numerical value of the stress intensity factor, KI obtained by the displacement method. This study aims to simulate the effect of local meshing which is the singularity region on stress intensity factor, KI to the critical point of failure in screw. Five different set of wedges meshing size are introduced during the simulation of finite element analysis. The number of wedges used to simulate this research is 8, 10, 14, 16 and 20. There are three set of numerical equations used to validate the results which are brown and srawley, gross and brown and Tada equation. The result obtained from the finite element software (ANSYS APDL) has a positive agreement with the numerical analysis which is Brown and Srawley compared to other numerical formula. Radius of first row size of 0.014 and singularity element with 14 numbers of wedges is proved to be the best local meshing for this study.

Effect of annealing temperature on the electrical properties of Au/Ta2O5/n-GaN metal-insulator-semiconductor (MIS) structure

NASA Astrophysics Data System (ADS)

Prasanna Lakshmi, B.; Rajagopal Reddy, V.; Janardhanam, V.; Siva Pratap Reddy, M.; Lee, Jung-Hee

2013-11-01

We report on the effect of an annealing temperature on the electrical properties of Au/Ta2O5/n-GaN metal-insulator-semiconductor (MIS) structure by current-voltage ( I- V) and capacitance-voltage ( C- V) measurements. The measured Schottky barrier height ( Φ bo) and ideality factor n values of the as-deposited Au/Ta2O5/n-GaN MIS structure are 0.93 eV ( I- V) and 1.19. The barrier height (BH) increases to 1.03 eV and ideality factor decreases to 1.13 upon annealing at 500 ∘C for 1 min under nitrogen ambient. When the contact is annealed at 600 ∘C, the barrier height decreases and the ideality factor increases to 0.99 eV and 1.15. The barrier heights obtained from the C- V measurements are higher than those obtained from I- V measurements, and this indicates the existence of spatial inhomogeneity at the interface. Cheung’s functions are also used to calculate the barrier height ( Φ bo), ideality factor ( n), and series resistance ( R s ) of the Au/Ta2O5/n-GaN MIS structure. Investigations reveal that the Schottky emission is the dominant mechanism and the Poole-Frenkel emission occurs only in the high voltage region. The energy distribution of interface states is determined from the forward bias I- V characteristics by taking into account the bias dependence of the effective barrier height. It is observed that the density value of interface states for the annealed samples with interfacial layer is lower than that of the density value of interface states of the as-deposited sample.

Standardization of the Hare Psychopathy Checklist-Revised in a Spanish prison sample.

PubMed

Moltó, J; Poy, R; Torrubia, R

2000-01-01

This investigation examined the reliability, validity, and factor structure of the Hare Psychopathy Checklist-Revised (PCL-R) in male adult Spanish prison populations (n = 117). The interrater reliability and internal consistency coefficients were high, and similar to those obtained in other countries. This data provides support for the homogeneity and unidimensionality of the psychopathy construct in Spanish male prison samples. The analysis of factor structure also replicated the two factor solution of previous studies. The two factors showed different patterns of intercorrelations with several self-report measures of personality, demographic, and criminal history variables, which confirmed the construct validity of PCL-R. The results confirm the psychometric properties of the PCL-R as a measure of psychopathy in Spanish male inmates, and suggest that psychopathy is a construct also observed in Southern European countries.

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

Siqueira, M. C.; Maia, R. N. A.; Araujo, R. M. T.

In this article, we investigated structural and thermal properties of an amorphous alloy of the Ga–Se system. The amorphous GaSe{sub 9} alloy was produced by mechanical alloying and it was studied using EXAFS spectroscopy and cumulant expansion method. We also made reverse Monte Carlo simulations using the total structure factor S(K) obtained from x-ray diffraction and the EXAFS χ(k) oscillations on Se and Ga K edges as input data. Several parameters, such as average coordination numbers and interatomic distances, structural and thermal disorders, asymmetry of the partial distribution functions g{sub ij}(r), and Einstein and Debye temperatures, were determined. The g{submore » ij}{sup E}(r) functions were reconstructed from the cumulants C{sub 1}, C{sub 2}, and C{sub 3} obtained from the Einstein model, and they were compared to the g{sub ij}{sup RMC}(r) functions obtained from the simulations. The simulations also furnished the partial bond angle distribution functions Θ{sub ijℓ}(cosθ), which describe the angular distribution of bonds between first neighbors, and give information about the kind of structural units present in the alloy.« less

Evaluating a stage model in predicting monolingual spanish-speaking Latinas' cervical cancer screening practices: the role of psychosocial and cultural predictors.

PubMed

Arredondo, Elva Maria; Pollak, Kathryn; Costanzo, Philip R

2008-12-01

The goals of this study are to evaluate (a) the effectiveness of a stage model in predicting Latinas' self-report of obtaining a Pap test and (b) the unique role of psychosocial/cultural factors in predicting progress toward behavior change. One-on-one structured interviews with monolingual Spanish-speaking Latinas (n=190) were conducted. Most participants (85%) intended to obtain a Pap smear within 1 year; therefore, staging women based on intention was not possible. Moreover, results from the polychotomous hierarchical logistic regression suggest that psychosocial and cultural factors were independent predictors of Pap test history. A stage model may not be appropriate for predicting Pap test screening among Latinas. Results suggest that unique cultural, psychosocial, and demographic factors may inhibit cervical cancer screening practices. Clinicians may need to tailor messages on these cultural and psychosocial factors to increase Pap testing among Latinas.

Extracting factors for interest rate scenarios

NASA Astrophysics Data System (ADS)

Molgedey, L.; Galic, E.

2001-04-01

Factor based interest rate models are widely used for risk managing purposes, for option pricing and for identifying and capturing yield curve anomalies. The movements of a term structure of interest rates are commonly assumed to be driven by a small number of orthogonal factors such as SHIFT, TWIST and BUTTERFLY (BOW). These factors are usually obtained by a Principal Component Analysis (PCA) of historical bond prices (interest rates). Although PCA diagonalizes the covariance matrix of either the interest rates or the interest rate changes, it does not use both covariance matrices simultaneously. Furthermore higher linear and nonlinear correlations are neglected. These correlations as well as the mean reverting properties of the interest rates become crucial, if one is interested in a longer time horizon (infrequent hedging or trading). We will show that Independent Component Analysis (ICA) is a more appropriate tool than PCA, since ICA uses the covariance matrix of the interest rates as well as the covariance matrix of the interest rate changes simultaneously. Additionally higher linear and nonlinear correlations may be easily incorporated. The resulting factors are uncorrelated for various time delays, approximately independent but nonorthogonal. This is in contrast to the factors obtained from the PCA, which are orthogonal and uncorrelated for identical times only. Although factors from the ICA are nonorthogonal, it is sufficient to consider only a few factors in order to explain most of the variation in the original data. Finally we will present examples that ICA based hedges outperforms PCA based hedges specifically if the portfolio is sensitive to structural changes of the yield curve.

A Distribution-Free Description of Fragmentation by Blasting Based on Dimensional Analysis

NASA Astrophysics Data System (ADS)

Sanchidrián, José A.; Ouchterlony, Finn

2017-04-01

A model for fragmentation in bench blasting is developed from dimensional analysis adapted from asteroid collision theory, to which two factors have been added: one describing the discontinuities spacing and orientation and another the delay between successive contiguous shots. The formulae are calibrated by nonlinear fits to 169 bench blasts in different sites and rock types, bench geometries and delay times, for which the blast design data and the size distributions of the muckpile obtained by sieving were available. Percentile sizes of the fragments distribution are obtained as the product of a rock mass structural factor, a rock strength-to-explosive energy ratio, a bench shape factor, a scale factor or characteristic size and a function of the in-row delay. The rock structure is described by means of the joints' mean spacing and orientation with respect to the free face. The strength property chosen is the strain energy at rupture that, together with the explosive energy density, forms a combined rock strength/explosive energy factor. The model is applicable from 5 to 100 percentile sizes, with all parameters determined from the fits significant to a 0.05 level. The expected error of the prediction is below 25% at any percentile. These errors are half to one-third of the errors expected with the best prediction models available to date.

Estimation of Knudsen diffusion coefficients from tracer experiments conducted with a binary gas system and a porous medium.

PubMed

Hibi, Yoshihiko; Kashihara, Ayumi

2018-03-01

A previous study has reported that Knudsen diffusion coefficients obtained by tracer experiments conducted with a binary gas system and a porous medium are consistently smaller than those obtained by permeability experiments conducted with a single-gas system and a porous medium. To date, however, that study is the only one in which tracer experiments have been conducted with a binary gas system. Therefore, to confirm this difference in Knudsen diffusion coefficients, we used a method we had developed previously to conduct tracer experiments with a binary carbon dioxide-nitrogen gas system and five porous media with permeability coefficients ranging from 10 -13 to 10 -11  m 2 . The results showed that the Knudsen diffusion coefficient of N 2 (D N2 ) (cm 2 /s) was related to the effective permeability coefficient k e (m 2 ) as D N2  = 7.39 × 10 7 k e 0.767 . Thus, the Knudsen diffusion coefficients of N 2 obtained by our tracer experiments were consistently 1/27 of those obtained by permeability experiments conducted with many porous media and air by other researchers. By using an inversion simulation to fit the advection-diffusion equation to the distribution of concentrations at observation points calculated by mathematically solving the equation, we confirmed that the method used to obtain the Knudsen diffusion coefficient in this study yielded accurate values. Moreover, because the Knudsen diffusion coefficient did not differ when columns with two different lengths, 900 and 1500 mm, were used, this column property did not influence the flow of gas in the column. The equation of the dusty gas model already includes obstruction factors for Knudsen diffusion and molecular diffusion, which relate to medium heterogeneity and tortuosity and depend only on the structure of the porous medium. Furthermore, there is no need to take account of any additional correction factor for molecular diffusion except the obstruction factor because molecular diffusion is only treated in a multicomponent gas system. Thus, molecular diffusion considers only the obstruction factor related to tortuosity. Therefore, we introduced a correction factor for a multicomponent gas system into the DGM equation, multiplying the Knudsen diffusion coefficient, which includes the obstruction factor related to tortuosity, by this correction factor. From the present experimental results, the value of this correction factor was 1/27, and it depended only on the structure of the gas system in the porous medium. Copyright © 2018 Elsevier B.V. All rights reserved.

Estimation of Knudsen diffusion coefficients from tracer experiments conducted with a binary gas system and a porous medium

NASA Astrophysics Data System (ADS)

Hibi, Yoshihiko; Kashihara, Ayumi

2018-03-01

A previous study has reported that Knudsen diffusion coefficients obtained by tracer experiments conducted with a binary gas system and a porous medium are consistently smaller than those obtained by permeability experiments conducted with a single-gas system and a porous medium. To date, however, that study is the only one in which tracer experiments have been conducted with a binary gas system. Therefore, to confirm this difference in Knudsen diffusion coefficients, we used a method we had developed previously to conduct tracer experiments with a binary carbon dioxide-nitrogen gas system and five porous media with permeability coefficients ranging from 10-13 to 10-11 m2. The results showed that the Knudsen diffusion coefficient of N2 (DN2) (cm2/s) was related to the effective permeability coefficient ke (m2) as DN2 = 7.39 × 107ke0.767. Thus, the Knudsen diffusion coefficients of N2 obtained by our tracer experiments were consistently 1/27 of those obtained by permeability experiments conducted with many porous media and air by other researchers. By using an inversion simulation to fit the advection-diffusion equation to the distribution of concentrations at observation points calculated by mathematically solving the equation, we confirmed that the method used to obtain the Knudsen diffusion coefficient in this study yielded accurate values. Moreover, because the Knudsen diffusion coefficient did not differ when columns with two different lengths, 900 and 1500 mm, were used, this column property did not influence the flow of gas in the column. The equation of the dusty gas model already includes obstruction factors for Knudsen diffusion and molecular diffusion, which relate to medium heterogeneity and tortuosity and depend only on the structure of the porous medium. Furthermore, there is no need to take account of any additional correction factor for molecular diffusion except the obstruction factor because molecular diffusion is only treated in a multicomponent gas system. Thus, molecular diffusion considers only the obstruction factor related to tortuosity. Therefore, we introduced a correction factor for a multicomponent gas system into the DGM equation, multiplying the Knudsen diffusion coefficient, which includes the obstruction factor related to tortuosity, by this correction factor. From the present experimental results, the value of this correction factor was 1/27, and it depended only on the structure of the gas system in the porous medium.

A Survey of Pre-Health Advisors and Black Students in South Carolina. Factors Affecting the Decreasing Number of South Carolina Applicants to the Dental Profession. Final Report.

ERIC Educational Resources Information Center

Hamrick, Fitzbugh N.; Brown, Wilma Sykes

This study investigated factors responsible for the consistently low numbers of black students applying to the College of Dental Medicine of South Carolina. The project was structured to obtain feedback from two entities at the undergraduate level: the pre-health advisors (Phase I); and black students (Phase II). Thirty-four responses were…

The Incremental Multiresolution Matrix Factorization Algorithm

PubMed Central

Ithapu, Vamsi K.; Kondor, Risi; Johnson, Sterling C.; Singh, Vikas

2017-01-01

Multiresolution analysis and matrix factorization are foundational tools in computer vision. In this work, we study the interface between these two distinct topics and obtain techniques to uncover hierarchical block structure in symmetric matrices – an important aspect in the success of many vision problems. Our new algorithm, the incremental multiresolution matrix factorization, uncovers such structure one feature at a time, and hence scales well to large matrices. We describe how this multiscale analysis goes much farther than what a direct “global” factorization of the data can identify. We evaluate the efficacy of the resulting factorizations for relative leveraging within regression tasks using medical imaging data. We also use the factorization on representations learned by popular deep networks, providing evidence of their ability to infer semantic relationships even when they are not explicitly trained to do so. We show that this algorithm can be used as an exploratory tool to improve the network architecture, and within numerous other settings in vision. PMID:29416293

Band gap engineering for poly(p-phenylene) and poly(p-phenylene vinylene) copolymers using the tight-binding approach

NASA Astrophysics Data System (ADS)

Giro, R.; Caldas, M. J.; Galvão, D. S.

The interest in poly(p-phenylene) (PPP) and poly(p-phenylene vinylene) (PPV) copolymers stems from the fact that these homopolymers present interesting optical and electronic properties that allow a great variety of technological applications. Combining different numbers of PPP and PPV units it is possible, in principle, to obtain new structures presenting intermediate gap values (2.8 eV and 2.4 eV for PPP and PPV, respectively). For this study we used a Hückel Hamiltonian tight-binding coupled to the negative factor counting (NFC) technique. We carried out a systematic search to determine optimum relative concentrations for disordered binary polymeric alloys with predefined gap values. Once these structures were obtained, we used the semiempirical methods AM1/PM3 and ZINDO/S-CI for geometrical and optical studies, respectively. Our theoretical results show that it is possible to obtain copolymers of PPP and PPV with intermediate gap values of their parent structures.

DFT-based ab initio MD simulation of the ionic conduction in doped ZrO₂ systems under epitaxial strain.

PubMed

Oka, M; Kamisaka, H; Fukumura, T; Hasegawa, T

2015-11-21

The oxygen ionic conduction in ZrO2 systems under tensile epitaxial strain was investigated by performing ab initio molecular dynamics (MD) calculations based on density functional theory (DFT) to elucidate the essential factors in the colossal ionic conductivity observed in the yttria stabilized ZrO2 (YSZ)/SrTiO3 heterostructure. Three factors were evaluated: lattice strain, oxygen vacancies, and dopants. Phonon calculations based on density functional perturbation theory (DFPT) were used to obtain the most stable structure for nondoped ZrO2 under 7% tensile strain along the a- and b-axes. This structure has the space group Pbcn, which is entirely different from that of cubic ZrO2, suggesting that previous ab initio MD calculations assuming cubic ZrO2 may have overestimated the ionic conductivity due to relaxation from the initial structure to the stable structure (Pbcn). Our MD calculations revealed that the ionic conductivity is enhanced only when tensile strain and oxygen vacancies are incorporated, although the presently obtained diffusion constant is far below the range for the colossal ionic conduction experimentally observed. The enhanced ionic conductivity is due to the combined effects of oxygen sublattice formation induced by strain and deformation of this sublattice by oxygen vacancies.

Molecular Modeling of the Binding Structures in the Interlayer Adsorption of a Tetracycline Antibiotic by Smectite Clays

NASA Astrophysics Data System (ADS)

Aristilde, L.

2009-12-01

A controlling factor in the fate of antibiotics in the environment is their sequestration in soil particles including clay minerals. Of special interest is the interlayer adsorption by smectite clays, which has been shown to influence both the bioavailability and persistence of antibiotics in the soil environment. However, the interlayer structures of the bound antibiotics, essential to an accurate understanding of the adsorption mechanisms, are not well understood. Molecular simulations of oxytetracycline (OTC) with a model montmorillonite (MONT) clay were performed to gain insights into these structures for tetracycline antibiotics. Monte Carlo simulations were used for explorations of the clay layer spacing required for the adsorption of the antibiotic under different hydration states of the clay interlayer; these preliminary results were validated with previous X-ray diffraction patterns obtained following sorption experiments of OTC with MONT. Molecular dynamics relaxation simulations were performed subsequently in order to obtain geometry-optimized structures of the binding conformations of the intercalated antibiotic in the model MONT layers. This study contributes to a mechanistic understanding of the factors controlling the interlayer adsorption of the tetracycline antibiotics by the expandable smectite clay minerals. Figure 1. Optimized Monte Carlo simulation cell of OTC in the interlayer of MONT: perspective side view (top) and bottom view (bottom).

Versatile application of indirect Fourier transformation to structure factor analysis: from X-ray diffraction of molecular liquids to small angle scattering of protein solutions.

PubMed

Fukasawa, Toshiko; Sato, Takaaki

2011-02-28

We highlight versatile applicability of a structure-factor indirect Fourier transformation (IFT) technique, hereafter called SQ-IFT. The original IFT aims at the pair distance distribution function, p(r), of colloidal particles from small angle scattering of X-rays (SAXS) and neutrons (SANS), allowing the conversion of the experimental form factor, P(q), into a more intuitive real-space spatial autocorrelation function. Instead, SQ-IFT is an interaction potential model-free approach to the 'effective' or 'experimental' structure factor to yield the pair correlation functions (PCFs), g(r), of colloidal dispersions like globular protein solutions for small-angle scattering data as well as the radial distribution functions (RDFs) of molecular liquids in liquid diffraction (LD) experiments. We show that SQ-IFT yields accurate RDFs of liquid H(2)O and monohydric alcohol reflecting their local intermolecular structures, in which q-weighted structure function, qH(q), conventionally utilized in many LD studies out of necessity of performing direct Fourier transformation, is no longer required. We also show that SQ-IFT applied to theoretically calculated structure factors for uncharged and charged colloidal dispersions almost perfectly reproduces g(r) obtained as a solution of the Ornstein-Zernike (OZ) equation. We further demonstrate the relevance of SQ-IFT in its practical applications, using SANS effective structure factors of lysozyme solutions reported in recent literatures which revealed the equilibrium cluster formation due to coexisting long range electrostatic repulsion and short range attraction between the proteins. Finally, we present SAXS experiments on human serum albumin (HSA) at different ionic strength and protein concentration, in which we discuss the real space picture of spatial distributions of the proteins via the interaction potential model-free route.

Determination of effective loss factors in reduced SEA models

NASA Astrophysics Data System (ADS)

Chimeno Manguán, M.; Fernández de las Heras, M. J.; Roibás Millán, E.; Simón Hidalgo, F.

2017-01-01

The definition of Statistical Energy Analysis (SEA) models for large complex structures is highly conditioned by the classification of the structure elements into a set of coupled subsystems and the subsequent determination of the loss factors representing both the internal damping and the coupling between subsystems. The accurate definition of the complete system can lead to excessively large models as the size and complexity increases. This fact can also rise practical issues for the experimental determination of the loss factors. This work presents a formulation of reduced SEA models for incomplete systems defined by a set of effective loss factors. This reduced SEA model provides a feasible number of subsystems for the application of the Power Injection Method (PIM). For structures of high complexity, their components accessibility can be restricted, for instance internal equipments or panels. For these cases the use of PIM to carry out an experimental SEA analysis is not possible. New methods are presented for this case in combination with the reduced SEA models. These methods allow defining some of the model loss factors that could not be obtained through PIM. The methods are validated with a numerical analysis case and they are also applied to an actual spacecraft structure with accessibility restrictions: a solar wing in folded configuration.

Purification and crystallization of components of the protein-synthesizing system from Thermus thermophilus

NASA Astrophysics Data System (ADS)

Garber, M. B.; Agalarov, S. Ch.; Eliseikina, I. A.; Sedelnikova, S. E.; Tishchenko, S. V.; Shirokov, V. A.; Yusupov, M. M.; Reshetnikova, L. S.; Trakhanov, S. D.; Tukalo, M. A.; Yaremchuk, A. D.

1991-03-01

An extreme thermophilic bacterium Thermus thermophilus has been chosen as a source for the isolation of components of the protein-synthesizing system to investigate their structures by X-ray crystallographic methods. The scheme of simultaneous isolation of ribosomes, tRNA, three elongation factors, several aminoacyl-tRNA synthetases and several enzymes has been developed. Methods of purification of ribosomes and individual ribosomal proteins without denaturation were elaborated. Crystals of the elongation factor G, the 70S ribosome, the 30S ribosomal subunit, six ribosomal proteins and three aminoacyl-tRNA synthetases have been obtained. Structural investigations of EF-G and the 70S ribosome are underway.

Peculiar atomic dynamics in liquid GeTe with asymmetrical bonding: Observation by inelastic x-ray scattering

NASA Astrophysics Data System (ADS)

Inui, M.; Koura, A.; Kajihara, Y.; Hosokawa, S.; Chiba, A.; Kimura, K.; Shimojo, F.; Tsutsui, S.; Baron, A. Q. R.

2018-05-01

Collective dynamics in liquid GeTe was investigated by inelastic x-ray scattering at 2 ≤Q ≤31 nm-1 . The dynamic structure factor shows clear inelastic excitations. The excitation energies at low Q disperse with increasing Q , consistent with the behavior of a longitudinal-acoustic excitation. The dispersion curve has a flat-topped region around the pseudo-Brillouin-zone boundary, similar to what is observed in liquid Bi [Inui et al., Phys. Rev. B 92, 054206 (2015), 10.1103/PhysRevB.92.054206]. The dynamic structure factor shows a low-frequency excitation, and its coupling with the longitudinal-acoustic mode plays an important role for a flat-topped dispersion. From these results, it is inferred that atomic dynamics in liquid GeTe is strongly affected by a Peierls distortion similar to liquid Bi. By comparing the momentum transfer dependence of the excitation energy and quasielastic linewidth to partial structure factors obtained by our own ab initio molecular dynamics simulation for liquid GeTe, the quasielastic and inelastic components were found to be correlated with Te-Te and Ge-(Ge,Te) partial structure factors, respectively.

A Probabilistic Design Method Applied to Smart Composite Structures

NASA Technical Reports Server (NTRS)

Shiao, Michael C.; Chamis, Christos C.

1995-01-01

A probabilistic design method is described and demonstrated using a smart composite wing. Probabilistic structural design incorporates naturally occurring uncertainties including those in constituent (fiber/matrix) material properties, fabrication variables, structure geometry and control-related parameters. Probabilistic sensitivity factors are computed to identify those parameters that have a great influence on a specific structural reliability. Two performance criteria are used to demonstrate this design methodology. The first criterion requires that the actuated angle at the wing tip be bounded by upper and lower limits at a specified reliability. The second criterion requires that the probability of ply damage due to random impact load be smaller than an assigned value. When the relationship between reliability improvement and the sensitivity factors is assessed, the results show that a reduction in the scatter of the random variable with the largest sensitivity factor (absolute value) provides the lowest failure probability. An increase in the mean of the random variable with a negative sensitivity factor will reduce the failure probability. Therefore, the design can be improved by controlling or selecting distribution parameters associated with random variables. This can be implemented during the manufacturing process to obtain maximum benefit with minimum alterations.

Bayesian structural equation modeling: a more flexible representation of substantive theory.

PubMed

Muthén, Bengt; Asparouhov, Tihomir

2012-09-01

This article proposes a new approach to factor analysis and structural equation modeling using Bayesian analysis. The new approach replaces parameter specifications of exact zeros with approximate zeros based on informative, small-variance priors. It is argued that this produces an analysis that better reflects substantive theories. The proposed Bayesian approach is particularly beneficial in applications where parameters are added to a conventional model such that a nonidentified model is obtained if maximum-likelihood estimation is applied. This approach is useful for measurement aspects of latent variable modeling, such as with confirmatory factor analysis, and the measurement part of structural equation modeling. Two application areas are studied, cross-loadings and residual correlations in confirmatory factor analysis. An example using a full structural equation model is also presented, showing an efficient way to find model misspecification. The approach encompasses 3 elements: model testing using posterior predictive checking, model estimation, and model modification. Monte Carlo simulations and real data are analyzed using Mplus. The real-data analyses use data from Holzinger and Swineford's (1939) classic mental abilities study, Big Five personality factor data from a British survey, and science achievement data from the National Educational Longitudinal Study of 1988.

Components of Mathematics Anxiety: Factor Modeling of the MARS30-Brief

PubMed Central

Pletzer, Belinda; Wood, Guilherme; Scherndl, Thomas; Kerschbaum, Hubert H.; Nuerk, Hans-Christoph

2016-01-01

Mathematics anxiety involves feelings of tension, discomfort, high arousal, and physiological reactivity interfering with number manipulation and mathematical problem solving. Several factor analytic models indicate that mathematics anxiety is rather a multidimensional than unique construct. However, the factor structure of mathematics anxiety has not been fully clarified by now. This issue shall be addressed in the current study. The Mathematics Anxiety Rating Scale (MARS) is a reliable measure of mathematics anxiety (Richardson and Suinn, 1972), for which several reduced forms have been developed. Most recently, a shortened version of the MARS (MARS30-brief) with comparable reliability was published. Different studies suggest that mathematics anxiety involves up to seven different factors. Here we examined the factor structure of the MARS30-brief by means of confirmatory factor analysis. The best model fit was obtained by a six-factor model, dismembering the known two general factors “Mathematical Test Anxiety” (MTA) and “Numerical Anxiety” (NA) in three factors each. However, a more parsimonious 5-factor model with two sub-factors for MTA and three for NA fitted the data comparably well. Factors were differentially susceptible to sex differences and differences between majors. Measurement invariance for sex was established. PMID:26924996

Components of Mathematics Anxiety: Factor Modeling of the MARS30-Brief.

PubMed

Pletzer, Belinda; Wood, Guilherme; Scherndl, Thomas; Kerschbaum, Hubert H; Nuerk, Hans-Christoph

2016-01-01

Mathematics anxiety involves feelings of tension, discomfort, high arousal, and physiological reactivity interfering with number manipulation and mathematical problem solving. Several factor analytic models indicate that mathematics anxiety is rather a multidimensional than unique construct. However, the factor structure of mathematics anxiety has not been fully clarified by now. This issue shall be addressed in the current study. The Mathematics Anxiety Rating Scale (MARS) is a reliable measure of mathematics anxiety (Richardson and Suinn, 1972), for which several reduced forms have been developed. Most recently, a shortened version of the MARS (MARS30-brief) with comparable reliability was published. Different studies suggest that mathematics anxiety involves up to seven different factors. Here we examined the factor structure of the MARS30-brief by means of confirmatory factor analysis. The best model fit was obtained by a six-factor model, dismembering the known two general factors "Mathematical Test Anxiety" (MTA) and "Numerical Anxiety" (NA) in three factors each. However, a more parsimonious 5-factor model with two sub-factors for MTA and three for NA fitted the data comparably well. Factors were differentially susceptible to sex differences and differences between majors. Measurement invariance for sex was established.

Structural relaxation of polydisperse hard spheres: comparison of the mode-coupling theory to a Langevin dynamics simulation.

PubMed

Weysser, F; Puertas, A M; Fuchs, M; Voigtmann, Th

2010-07-01

We analyze the slow glassy structural relaxation as measured through collective and tagged-particle density correlation functions obtained from Brownian dynamics simulations for a polydisperse system of quasi-hard spheres in the framework of the mode-coupling theory (MCT) of the glass transition. Asymptotic analyses show good agreement for the collective dynamics when polydispersity effects are taken into account in a multicomponent calculation, but qualitative disagreement at small q when the system is treated as effectively monodisperse. The origin of the different small-q behavior is attributed to the interplay between interdiffusion processes and structural relaxation. Numerical solutions of the MCT equations are obtained taking properly binned partial static structure factors from the simulations as input. Accounting for a shift in the critical density, the collective density correlation functions are well described by the theory at all densities investigated in the simulations, with quantitative agreement best around the maxima of the static structure factor and worst around its minima. A parameter-free comparison of the tagged-particle dynamics however reveals large quantitative errors for small wave numbers that are connected to the well-known decoupling of self-diffusion from structural relaxation and to dynamical heterogeneities. While deviations from MCT behavior are clearly seen in the tagged-particle quantities for densities close to and on the liquid side of the MCT glass transition, no such deviations are seen in the collective dynamics.

Assessing the factor structure of the Childhood Trauma Questionnaire, and cumulative effect of abuse and neglect on mental health among adolescents in conflict-affected Burundi.

PubMed

Charak, Ruby; de Jong, J T V M; Berckmoes, Lidewyde H; Ndayisaba, Herman; Reis, Ria

2017-10-01

The present study aimed to examine the factor structure of the Childhood Trauma Questionnaire (CTQ; Bernstein & Fink, 1998), highlight rates of abuse and neglect among Burundian adolescents, compare these rates with those found in high-income nations, and examine the cumulative effect of multiple types of abuse and neglect on depression and PTSD symptoms. Participants were 231 adolescents and youth (M=14.9, SD=1.99, 58.4% female) from five provinces of Burundi, a country in Central Africa affected by war and political violence. Translation and back-translation of the CTQ was carried out to obtain an adaptation of CTQ in Kirundi, the native language of Burundi. With the exception of one item on 'molestation' in the factor of sexual abuse, the five-factor structure of CTQ was obtained comprising latent factors, namely emotional, physical, and sexual abuse, and emotional and physical neglect. The rate of abuse and neglect ranged from 14.7-93.5% with more than 37% reporting 4 or more types of abuse and neglect experiences. Emotional abuse and neglect, and physical neglect were 2-3 times higher among Burundian adolescents when compared with studies from high-income countries using the CTQ. A cumulative effect of multiple types of abuse and neglect was found, such that, those with 4 or more types of maltreatment were higher on symptoms of depression and posttraumatic stress. Findings highlight the need for culturally sensitive, standardized, and validated measures and norms for gauging childhood maltreatment in Burundi and related need for preventative interventions on childhood maltreatment. Copyright © 2017 Elsevier Ltd. All rights reserved.

Analysis of factors determining enterprise value of company merger and acquisition: A case study of coal in Kalimantan, Indonesia

NASA Astrophysics Data System (ADS)

Candra, Ade; Pasasa, Linus A.; Simatupang, Parhimpunan

2015-09-01

The main purpose of this paper is looking at the relationship between the factors of technical, financial and legal with enterprise value in mergers and acquisitions of coal companies in Kalimantan, Indonesia over the last 10 years. Data obtained from secondary data sources in the company works and from published data on the internet. The data thus obtained are as many as 46 secondary data with parameters resources, reserves, stripping ratio, calorific value, distance from pit to port, and distance from ports to vessels, production per annum, the cost from pit to port, from port to vessel costs, royalties, coal price and permit status. The data was analysis using structural equation modeling (SEM) to determine the factors that most significant influence enterprise value of coal company in Kalimantan. The result shows that a technical matter is the factor that most affects the value of enterprise in coal merger and acquisition company. Financial aspect is the second factor that affects the enterprise value.

Effective boson g factors in the mass 80 region

NASA Astrophysics Data System (ADS)

Mertzimekis, T. J.; Taylor, M. J.; Kumbartzki, G.; Benczer-Koller, N.; Stuchbery, A. E.

2002-10-01

Recent precision g factors have been obtained by using the transient field technique combined with Coulomb excitation in inverse kinematics in several, near spherical, nuclei around A ˜ 80. The g factors were analyzed in terms of an IBA-II formulation which treats the n and p boson effective g factors as mass-independent free parameters (A.Wolf et al.), Phys. Lett. B190, 19 (1987).. The data yielded more accurate effective boson g factors than obtained in the previous systematics for this region, g_π=0.50(3), g_ν=0.24(5) and g_π=0.45(3), g_ν=0.35(3) for the regions 28 <= N <= 50 and 38 <= N <= 50 respectively, with comparable i^2's. Evidence of shell closure for N=38 (K.-H. Speidel et al.), Phys. Rev. C57, 2181 (1998). prompted the need to examine these two regions separately. The deviations of g_π from unity and g_ν from zero indicate the importance of the underlying fermion structure.

Construction of nanostructures for selective lithium ion conduction using self-assembled molecular arrays in supramolecular solids

NASA Astrophysics Data System (ADS)

Moriya, Makoto

2017-12-01

In the development of innovative molecule-based materials, the identification of the structural features in supramolecular solids and the understanding of the correlation between structure and function are important factors. The author investigated the development of supramolecular solid electrolytes by constructing ion conduction paths using a supramolecular hierarchical structure in molecular crystals because the ion conduction path is an attractive key structure due to its ability to generate solid-state ion diffusivity. The obtained molecular crystals exhibited selective lithium ion diffusion via conduction paths consisting of lithium bis(trifluoromethanesulfonyl)amide (LiTFSA) and small molecules such as ether or amine compounds. In the present review, the correlation between the crystal structure and ion conductivity of the obtained molecular crystals is addressed based on the systematic structural control of the ionic conduction paths through the modification of the component molecules. The relationship between the crystal structure and ion conductivity of the molecular crystals provides a guideline for the development of solid electrolytes based on supramolecular solids exhibiting rapid and selective lithium ion conduction.

Hard diffraction in the QCD dipole picture

NASA Astrophysics Data System (ADS)

Bialas, A.; Peschanski, R.

1996-02-01

Using the QCD dipole picture of the BFKL pomeron, the gluon contribution to the cross-section for single diffractive dissociation in deep-inelastic high-energy scattering is calculated. The resulting contribution to the proton diffractive structure function integrated over t is given in terms of relevant variables, xP, Q2, and β = {x Bj}/{x P}. It factorizes into an explicit x P-dependent Hard Pomeron flux factor and structure function. The lux factor is found to have substantial logarithmic corrections which may account for the recent measurements of the Pomeron intercept in this process. The triple Pomeron coupling is shown to be strongly enhanced by the resummation of leading logs. The obtained pattern of scaling violation at small β is similar to that for F2 at small xBj.

Function Invariant and Parameter Scale-Free Transformation Methods

ERIC Educational Resources Information Center

Bentler, P. M.; Wingard, Joseph A.

1977-01-01

A scale-invariant simple structure function of previously studied function components for principal component analysis and factor analysis is defined. First and second partial derivatives are obtained, and Newton-Raphson iterations are utilized. The resulting solutions are locally optimal and subjectively pleasing. (Author/JKS)

Microholography of Living Organisms.

ERIC Educational Resources Information Center

Solem, Johndale C.; Baldwin, George C.

1982-01-01

By using intense pulsed coherent x-ray sources it will be possible to obtain magnified three-dimensional images of living elementary biological structures at precisely defined instants. Discussed are sources/geometrics for x-ray holography, x-radiation interactions, factors affecting resolution, recording the hologram, high-intensity holography,…

Medium-range structural properties of vitreous germania obtained through first-principles analysis of vibrational spectra.

PubMed

Giacomazzi, Luigi; Umari, P; Pasquarello, Alfredo

2005-08-12

We analyze the principal vibrational spectra of vitreous GeO(2) and derive therefrom structural properties referring to length scales beyond the basic tetrahedral unit. We generate a model structure that yields a neutron structure factor in accord with experiment. The inelastic-neutron, the infrared, and the Raman spectra, calculated within a density-functional approach, also agree with respective experimental spectra. The accord for the Raman spectrum supports a Ge-O-Ge angle distribution centered at 135 degrees. The Raman feature X(2) is found to result from vibrations in three-membered rings, and therefore constitutes a distinctive characteristic of the medium-range structure.

Subunit architecture and functional modular rearrangements of the transcriptional Mediator complex

PubMed Central

Tsai, Kuang-Lei; Tomomori-Sato, Chieri; Sato, Shigeo; Conaway, Ronald C.; Conaway, Joan W.; Asturias, Francisco J.

2014-01-01

SUMMARY The multisubunit Mediator comprising ~30 distinct proteins, plays an essential role in gene expression regulation by acting as a bridge between DNA binding transcription factors and the RNA polymerase II (RNAPII) transcription machinery. Efforts to uncover the Mediator mechanism have been hindered by a poor understanding of its structure, subunit organization, and conformational rearrangements. By overcoming biochemical and image analysis hurdles, we obtained accurate EM structures of yeast and human Mediators. Subunit localization experiments, docking of partial X-ray structures, and biochemical analyses resulted in comprehensive mapping of yeast Mediator subunits and a complete reinterpretation of our previous Mediator organization model. Large-scale Mediator rearrangements depend on changes at the interfaces between previously described Mediator modules, which appear to be facilitated by factors conducive to transcription initiation. Conservation across eukaryotes of Mediator structure, subunit organization, and RNA polymerase II interaction suggest conservation of fundamental aspects of the Mediator mechanism. PMID:24882805

Social Skills Questionnaire for Argentinean College Students (SSQ-U) Development and Validation.

PubMed

Morán, Valeria E; Olaz, Fabián O; Del Prette, Zilda A P

2015-11-27

In this paper we present a new instrument called Social Skills Questionnaire for Argentinean College Students (SSQ-U). Based on the adapted version of the Social Skills Inventory - Del Prette (SSI-Del Prette) (Olaz, Medrano, Greco, & Del Prette, 2009), we wrote new items for the scale, and carried out psychometric analysis to assess the validity and reliability of the instrument. In the first study, we collected evidence based on test content through expert judges who evaluated the quality and the relevance of the items. In the second and third studies, we provided validity evidence based on the internal structure of the instrument using exploratory (n = 1067) and confirmatory (n = 661) factor analysis. Results suggested a five-factor structure consistent with the dimensions of social skills, as proposed by Kelly (2002). The fit indexes corresponding to the obtained model were adequate, and composite reliability coefficients of each factor were excellent (above .75). Finally, in the fourth study, we provided evidence of convergent and discriminant validity. The obtained results allow us to conclude that the SSQ-U is the first valid and reliable instrument for measuring social skills in Argentinean college students.

On a fast calculation of structure factors at a subatomic resolution.

PubMed

Afonine, P V; Urzhumtsev, A

2004-01-01

In the last decade, the progress of protein crystallography allowed several protein structures to be solved at a resolution higher than 0.9 A. Such studies provide researchers with important new information reflecting very fine structural details. The signal from these details is very weak with respect to that corresponding to the whole structure. Its analysis requires high-quality data, which previously were available only for crystals of small molecules, and a high accuracy of calculations. The calculation of structure factors using direct formulae, traditional for 'small-molecule' crystallography, allows a relatively simple accuracy control. For macromolecular crystals, diffraction data sets at a subatomic resolution contain hundreds of thousands of reflections, and the number of parameters used to describe the corresponding models may reach the same order. Therefore, the direct way of calculating structure factors becomes very time expensive when applied to large molecules. These problems of high accuracy and computational efficiency require a re-examination of computer tools and algorithms. The calculation of model structure factors through an intermediate generation of an electron density [Sayre (1951). Acta Cryst. 4, 362-367; Ten Eyck (1977). Acta Cryst. A33, 486-492] may be much more computationally efficient, but contains some parameters (grid step, 'effective' atom radii etc.) whose influence on the accuracy of the calculation is not straightforward. At the same time, the choice of parameters within safety margins that largely ensure a sufficient accuracy may result in a significant loss of the CPU time, making it close to the time for the direct-formulae calculations. The impact of the different parameters on the computer efficiency of structure-factor calculation is studied. It is shown that an appropriate choice of these parameters allows the structure factors to be obtained with a high accuracy and in a significantly shorter time than that required when using the direct formulae. Practical algorithms for the optimal choice of the parameters are suggested.

Condensed-matter research at the Los Alamos pulsed neutron source (WNR)

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

Eckert, J.

1982-01-01

The experimental program at the WNR in condensed matter research at present is aimed principally at utilizing the high epithermal neutron flux available at a spallation neutron source. Interesting new results have been obtained in several areas including hydrogen vibrations in metals, chemical vibrational spectroscopy and the structure of liquids. For example, extensive vibrational spectra were obtained of hydrogen in Nb which could be described in terms of a three-dimensional localized anharmonic oscillator, deuterium substitution methods were used to determine the variation with 0-0 distance of the hydrogen bending mode frequency in extremely short intramolecular hydrogen bonds, and model-independent partialmore » structure factors were determined for liquid water.« less

Interaction in Balanced Cross Nested Designs

NASA Astrophysics Data System (ADS)

Ramos, Paulo; Mexia, João T.; Carvalho, Francisco; Covas, Ricardo

2011-09-01

Commutative Jordan Algebras, CJA, are used in the study of mixed models obtained, through crossing and nesting, from simpler ones. In the study of cross nested models the interaction between nested factors have been systematically discarded. However this can constitutes an artificial simplification of the models. We point out that, when two crossed factors interact, such interaction is symmetric, both factors playing in it equivalent roles, while when two nested factors interact, the interaction is determined by the nesting factor. These interactions will be called interactions with nesting. In this work we present a coherent formulation of the algebraic structure of models enabling the choice of families of interactions between cross and nested factors using binary operations on CJA.

Small angle neutron scattering study of sodium dodecyl sulfate micellar growth driven by addition of a hydrotropic salt.

PubMed

Hassan, P A; Fritz, Gerhard; Kaler, Eric W

2003-01-01

The structures of aggregates formed in aqueous solutions of an anionic surfactant, sodium dodecyl sulfate (SDS), with the addition of a cationic hydrotropic salt, p-toluidine hydrochloride (PTHC), have been investigated by small angle neutron scattering (SANS). The SANS spectra exhibit a pronounced peak at low salt concentration, indicating the presence of repulsive intermicellar interactions. Model-independent real space information about the structure is obtained from a generalized indirect Fourier transformation (GIFT) technique in combination with a suitable model for the interparticle structure factor. The interparticle interaction is captured using the rescaled mean spherical approximation (RMSA) closure relation and a Yukawa form of the interaction potential. Further quantification of the geometrical parameters of the micelles was achieved by a complete fit of the SANS data using a prolate ellipsoidal form factor and the RMSA structure factor. The present study shows that PTHC induces a decrease in the fractional charge of the micelles due to adsorption at the micellar surface and consequent growth of the SDS micelles from nearly globular to rodlike as the concentration of PTHC increases.

Probabilistic Methods for Structural Reliability and Risk

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

2008-01-01

A probabilistic method is used to evaluate the structural reliability and risk of select metallic and composite structures. The method is a multiscale, multifunctional and it is based on the most elemental level. A multi-factor interaction model is used to describe the material properties which are subsequently evaluated probabilistically. The metallic structure is a two rotor aircraft engine, while the composite structures consist of laminated plies (multiscale) and the properties of each ply are the multifunctional representation. The structural component is modeled by finite element. The solution method for structural responses is obtained by an updated simulation scheme. The results show that the risk for the two rotor engine is about 0.0001 and the composite built-up structure is also 0.0001.

Perceived sexual harassment at work: meta-analysis and structural model of antecedents and consequences.

PubMed

Topa Cantisano, Gabriela; Morales Domínguez, J F; Depolo, Marco

2008-05-01

Although sexual harassment has been extensively studied, empirical research has not led to firm conclusions about its antecedents and consequences, both at the personal and organizational level. An extensive literature search yielded 42 empirical studies with 60 samples. The matrix correlation obtained through meta-analytic techniques was used to test a structural equation model. Results supported the hypotheses regarding organizational environmental factors as main predictors of harassment.

Structural Color Tuning: Mixing Melanin-Like Particles with Different Diameters to Create Neutral Colors.

PubMed

Kawamura, Ayaka; Kohri, Michinari; Yoshioka, Shinya; Taniguchi, Tatsuo; Kishikawa, Keiki

2017-04-18

We present the ability to tune structural colors by mixing colloidal particles. To produce high-visibility structural colors, melanin-like core-shell particles composed of a polystyrene (PSt) core and a polydopamine (PDA) shell, were used as components. The results indicated that neutral structural colors could be successfully obtained by simply mixing two differently sized melanin-like PSt@PDA core-shell particles. In addition, the arrangements of the particles, which were important factors when forming structural colors, were investigated by mathematical processing using a 2D Fourier transform technique and Voronoi diagrams. These findings provide new insights for the development of structural color-based ink applications.

Novel Antimicrobial Titanium Dioxide Nanotubes Obtained through a Combination of Atomic Layer Deposition and Electrospinning Technologies.

PubMed

López de Dicastillo, Carol; Patiño, Cristian; Galotto, María Jose; Palma, Juan Luis; Alburquenque, Daniela; Escrig, Juan

2018-02-24

The search for new antimicrobial substances has increased in recent years. Antimicrobial nanostructures are one of the most promising alternatives. In this work, titanium dioxide nanotubes were obtained by an atomic layer deposition (ALD) process over electrospun polyvinyl alcohol nanofibers (PVN) at different temperatures with the purpose of obtaining antimicrobial nanostructures with a high specific area. Electrospinning and ALD parameters were studied in order to obtain PVN with smallest diameter and highest deposition rate, respectively. Chamber temperature was a key factor during ALD process and an appropriate titanium dioxide deposition performance was achieved at 200 °C. Subsequently, thermal and morphological analysis by SEM and TEM microscopies revealed hollow nanotubes were obtained after calcination process at 600 °C. This temperature allowed complete polymer removal and influenced the resulting anatase crystallographic structure of titanium dioxide that positively affected their antimicrobial activities. X-ray analysis confirmed the change of titanium dioxide crystallographic structure from amorphous phase of deposited PVN to anatase crystalline structure of nanotubes. These new nanostructures with very large surface areas resulted in interesting antimicrobial properties against Gram-positive and Gram-negative bacteria. Titanium dioxide nanotubes presented the highest activity against Escherichia coli with 5 log cycles reduction at 200 μg/mL concentration.

Novel Antimicrobial Titanium Dioxide Nanotubes Obtained through a Combination of Atomic Layer Deposition and Electrospinning Technologies

PubMed Central

Patiño, Cristian; Galotto, María Jose; Palma, Juan Luis; Alburquenque, Daniela

2018-01-01

The search for new antimicrobial substances has increased in recent years. Antimicrobial nanostructures are one of the most promising alternatives. In this work, titanium dioxide nanotubes were obtained by an atomic layer deposition (ALD) process over electrospun polyvinyl alcohol nanofibers (PVN) at different temperatures with the purpose of obtaining antimicrobial nanostructures with a high specific area. Electrospinning and ALD parameters were studied in order to obtain PVN with smallest diameter and highest deposition rate, respectively. Chamber temperature was a key factor during ALD process and an appropriate titanium dioxide deposition performance was achieved at 200 °C. Subsequently, thermal and morphological analysis by SEM and TEM microscopies revealed hollow nanotubes were obtained after calcination process at 600 °C. This temperature allowed complete polymer removal and influenced the resulting anatase crystallographic structure of titanium dioxide that positively affected their antimicrobial activities. X-ray analysis confirmed the change of titanium dioxide crystallographic structure from amorphous phase of deposited PVN to anatase crystalline structure of nanotubes. These new nanostructures with very large surface areas resulted in interesting antimicrobial properties against Gram-positive and Gram-negative bacteria. Titanium dioxide nanotubes presented the highest activity against Escherichia coli with 5 log cycles reduction at 200 μg/mL concentration. PMID:29495318

Evaluating the personality structure of semi-captive Asian elephants living in their natural habitat

PubMed Central

Adams, Mark J.; Mar, Khyne U; Lahdenperä, Mirkka

2018-01-01

Data on personality for long-lived, highly social wild mammals with high cognitive abilities are rare. We investigated the personality structure of Asian elephants (Elephas maximus) by using a large sample of semi-captive timber elephants in Myanmar. Data were collected during 2014–2017 using questionnaires, for which elephant riders (mahouts) rated 28 behavioural adjectives of elephants. Repeated questionnaires were obtained for each elephant from several raters whenever possible, resulting in 690 ratings of 150 female and 107 male elephants. We started by performing a confirmatory factor analysis to compare the fit of our data to a previously published captive elephant personality structure. Owing to a poor fit of this model to our data, we proceeded by performing explanatory factor analysis to determine the personality structure in our study population. This model suggested that personality in these elephants was manifested as three factors that we labelled as Attentiveness, Sociability and Aggressiveness. This structure did not differ between the sexes. These results provide the basis for future research on the link between personality and reproductive success in this endangered species and more generally, help to resolve the selective pressures on personalities in long-lived, highly social species. PMID:29515900

Assessing suicide risk among callers to crisis hotlines: a confirmatory factor analysis.

PubMed

Witte, Tracy K; Gould, Madelyn S; Munfakh, Jimmie Lou Harris; Kleinman, Marjorie; Joiner, Thomas E; Kalafat, John

2010-09-01

Our goal was to investigate the factor structure of a risk assessment tool utilized by suicide hotlines and to determine the predictive validity of the obtained factors in predicting subsequent suicidal behavior. We conducted an Exploratory Factor Analysis (EFA), an EFA in a Confirmatory Factor Analysis (EFA/CFA) framework, and a CFA on independent subsamples derived from a total sample of 1,085. Similar to previous studies, we found consistent evidence for a two-factor solution, with one factor representing a more pernicious form of suicide risk (i.e., Resolved Plans and Preparations; RPP) and one factor representing milder suicidal ideation (i.e., Suicidal Desire and Ideation; SDI). The RPP factor trended toward being more predictive of suicidal ideation at follow-up than the SDI factor. (c) 2010 Wiley Periodicals, Inc.

Mechanical behavior and shape optimization of lining structure for subsea tunnel excavated in weathered slot

NASA Astrophysics Data System (ADS)

Li, Peng-fei; Zhou, Xiao-jun

2015-12-01

Subsea tunnel lining structures should be designed to sustain the loads transmitted from surrounding ground and groundwater during excavation. Extremely high pore-water pressure reduces the effective strength of the country rock that surrounds a tunnel, thereby lowering the arching effect and stratum stability of the structure. In this paper, the mechanical behavior and shape optimization of the lining structure for the Xiang'an tunnel excavated in weathered slots are examined. Eight cross sections with different geometric parameters are adopted to study the mechanical behavior and shape optimization of the lining structure. The hyperstatic reaction method is used through finite element analysis software ANSYS. The mechanical behavior of the lining structure is evidently affected by the geometric parameters of crosssectional shape. The minimum safety factor of the lining structure elements is set to be the objective function. The efficient tunnel shape to maximize the minimum safety factor is identified. The minimum safety factor increases significantly after optimization. The optimized cross section significantly improves the mechanical characteristics of the lining structure and effectively reduces its deformation. Force analyses of optimization process and program are conducted parametrically so that the method can be applied to the optimization design of other similar structures. The results obtained from this study enhance our understanding of the mechanical behavior of the lining structure for subsea tunnels. These results are also beneficial to the optimal design of lining structures in general.

Piezoresistive effect in metal-semiconductor-metal structures on p-type GaN

NASA Astrophysics Data System (ADS)

Gaska, R.; Shur, M. S.; Bykhovski, A. D.; Yang, J. W.; Khan, M. A.; Kaminski, V. V.; Soloviov, S. M.

2000-06-01

We report on a strong piezoresistive effect in metal-semiconductor-metal structures fabricated on p-type GaN. The maximum measured gauge factor was 260, which is nearly two times larger than for piezoresistive silicon transducers. We attribute this large sensitivity to applied strain to the combination of two mechanisms: (i) a high piezoresistance of bulk p-GaN and (ii) a strong piezoresistive effect in a Schottky contact on p-GaN. The obtained results demonstrate that GaN-based structures can be suitable for stress/pressure sensor applications.

Organizational Models of Successful Advancement Programs.

ERIC Educational Resources Information Center

Smith, Nanette J.

A study was conducted to determine the organizational factors that were consistent with the success of two-year colleges in obtaining private financial support. Informal telephone surveys were conducted with 15 community colleges with successful endowment and fund-raising programs to gather information about organizational structures and factors…

Scale for positive aspects of caregiving experience: development, reliability, and factor structure.

PubMed

Kate, N; Grover, S; Kulhara, P; Nehra, R

2012-06-01

OBJECTIVE. To develop an instrument (Scale for Positive Aspects of Caregiving Experience [SPACE]) that evaluates positive caregiving experience and assess its psychometric properties. METHODS. Available scales which assess some aspects of positive caregiving experience were reviewed and a 50-item questionnaire with a 5-point rating was constructed. In all, 203 primary caregivers of patients with severe mental disorders were asked to complete the questionnaire. Internal consistency, test-retest reliability, cross-language reliability, split-half reliability, and face validity were evaluated. Principal component factor analysis was run to assess the factorial validity of the scale. RESULTS. The scale developed as part of the study was found to have good internal consistency, test-retest reliability, cross-language reliability, split-half reliability, and face validity. Principal component factor analysis yielded a 4-factor structure, which also had good test-retest reliability and cross-language reliability. There was a strong correlation between the 4 factors obtained. CONCLUSION. The SPACE developed as part of this study has good psychometric properties.

Understanding criminals' thinking: further examination of the Measure of Offender Thinking Styles-Revised.

PubMed

Mandracchia, Jon T; Morgan, Robert D

2011-12-01

The Measure of Offender Thinking Styles (MOTS) was originally developed to examine the structure of dysfunctional thinking exhibited by criminal offenders. In the initial investigation, a three-factor model of criminal thinking was obtained using the MOTS. These factors included dysfunctional thinking characterized as Control, Cognitive Immaturity, and Egocentrism. In the present investigation, the stability of the three-factor model was examined with a confirmatory factor analysis of the revised version of the MOTS (i.e., MOTS-R). In addition, the internal consistency, test-retest reliability, and convergent validity of the MOTS-R were examined. Results indicated that the three-factor model of criminal thinking was supported. In addition, the MOTS-R demonstrated reliability and convergent validity with other measures of criminal thinking and attitudes. Overall, it appears that the MOTS-R may prove to be a valuable tool for use with an offender population, particularly because of the simple, intuitive structure of dysfunctional thinking that it represents.

Examining the factor structure of MUIS-C scale among baby boomers with hepatitis C.

PubMed

Reinoso, Humberto; Türegün, Mehmet

2016-11-01

Baby boomers account for two out of every three cases of hepatitis C infection in the U.S. To conduct an exploratory factor analysis directed at supporting the use of the MUIS-C as a reliable instrument in measuring illness uncertainty among baby boomers with hepatitis C. The steps of conducting a typical principal component analysis (PCA) with an oblique rotation were used on a sample of 146 participants, the sampling adequacy of items was examined via the Kaiser-Meyer-Olkin (KMO) measure, and the Bartlett's sphericity test was used for appropriateness of conducting a factor analysis. A two-factor structure was obtained by using Horn's parallel analysis method. The two factors explained a cumulative total of 45.8% of the variance. The results of the analyses indicated that the MUIS-C was a valid and reliable instrument and potentially suitable for use in baby boomer population diagnosed with hepatitis C. Published by Elsevier Inc.

Solute–solute correlations responsible for the prepeak in structure factors of undercooled Al-rich liquids: A molecular dynamics study

DOE PAGES

Zhang, Feng; Sun, Yang; Ye, Zhuo; ...

2015-05-06

In this study, we have performed molecular dynamics simulations on a typical Al-based alloy Al 90Sm 10. The short-range and medium-range correlations of the system are reliably produced by ab initio calculations, whereas the long-range correlations are obtained with the assistance of a semi-empirical potential well-fitted to ab initio data. Our calculations show that a prepeak in the structure factor of this system emerges well above the melting temperature, and the intensity of the prepeak increases with increasing undercooling of the liquid. These results are in agreement with x-ray diffraction experiments. The interplay between the short-range order of the systemmore » originating from the large affinity between Al and Sm atoms, and the intrinsic repulsion between Sm atoms gives rise to a stronger correlation in the second peak than the first peak in the Sm–Sm partial pair correlation function (PPCF), which in turn produces the prepeak in the structure factor.« less

Narrow titanium oxide nanowires induced by femtosecond laser pulses on a titanium surface

NASA Astrophysics Data System (ADS)

Li, Hui; Li, Xian-Feng; Zhang, Cheng-Yun; Tie, Shao-Long; Lan, Sheng

2017-02-01

The evolution of the nanostructure induced on a titanium (Ti) surface with increasing irradiation pulse number by using a 400-nm femtosecond laser was examined by using scanning electron microscopy. High spatial frequency periodic structures of TiO2 parallel to the laser polarization were initially observed because of the laser-induced oxidation of the Ti surface and the larger efficacy factor of TiO2 in this direction. Periodically aligned TiO2 nanowires with featured width as small as 20 nm were obtained. With increasing pulse number, however, low spatial frequency periodic structures of Ti perpendicular to the laser polarization became dominant because Ti possesses a larger efficacy factor in this direction. The competition between the high- and low-spatial frequency periodic structures is in good agreement with the prediction of the efficacy factor theory and it should also be observed in the femtosecond laser ablation of other metals which are easily oxidized in air.

Modeling of the whispering gallery mode in microdisk and microgear resonators using a Toeplitz matrix formalism for single-photon source

NASA Astrophysics Data System (ADS)

Attia, Moez; Gueddana, Amor; Chatta, Rihab; Morand, Alain

2013-09-01

The work presented in this paper develops a new formalism to design microdisks and microgears structures. The main objective is to study the optics and geometrics parameters influence on the microdisks and microgears structures resonance behavior. This study is conducted to choice a resonance structure with height quality factor Q to be associated with Quantum dot to form a single photon source. This new method aims to design resonant structures that are simpler and requires less computing performances than FDTD and Floquet Block methods. This formalism is based on simplifying Fourier transformed and using toeplitz matrix writing. This new writing allows designing all kind of resonance structures with any defect and any modification. In other study we have design a quantum dot emitting a photon at 1550 nm of the fundamental mode, but the quantum dot emits other photons at other wavelengths. The focus of the resonant structure and the quantum dot association is the resonance of the photon at 1550 nm and the elimination of all other photons with others energies. The quantum dot studied in [1] is an InAs/GaAs quantum dot, we design an GaAS microdisk and microgear and we compare the quality factor Q of this two structures and we conclude that the microgear is more appropriated to be associate to the quantum dot and increase the probability P1 to obtain a single photon source at 1550 nm and promotes the obtaining of single photon. The performance improving of the resonant structure is able to increase the success of quantum applications such as quantum gates based on single photon source.

Evolutionary profiles derived from the QR factorization of multiple structural alignments gives an economy of information.

PubMed

O'Donoghue, Patrick; Luthey-Schulten, Zaida

2005-02-25

We present a new algorithm, based on the multidimensional QR factorization, to remove redundancy from a multiple structural alignment by choosing representative protein structures that best preserve the phylogenetic tree topology of the homologous group. The classical QR factorization with pivoting, developed as a fast numerical solution to eigenvalue and linear least-squares problems of the form Ax=b, was designed to re-order the columns of A by increasing linear dependence. Removing the most linear dependent columns from A leads to the formation of a minimal basis set which well spans the phase space of the problem at hand. By recasting the problem of redundancy in multiple structural alignments into this framework, in which the matrix A now describes the multiple alignment, we adapted the QR factorization to produce a minimal basis set of protein structures which best spans the evolutionary (phase) space. The non-redundant and representative profiles obtained from this procedure, termed evolutionary profiles, are shown in initial results to outperform well-tested profiles in homology detection searches over a large sequence database. A measure of structural similarity between homologous proteins, Q(H), is presented. By properly accounting for the effect and presence of gaps, a phylogenetic tree computed using this metric is shown to be congruent with the maximum-likelihood sequence-based phylogeny. The results indicate that evolutionary information is indeed recoverable from the comparative analysis of protein structure alone. Applications of the QR ordering and this structural similarity metric to analyze the evolution of structure among key, universally distributed proteins involved in translation, and to the selection of representatives from an ensemble of NMR structures are also discussed.

Study on the Effect of Secondary Banded Structure on the Fatigue Property of Non-Quenched and Tempered Micro Alloyed Steel

NASA Astrophysics Data System (ADS)

Yajie, Cheng; Qingliang, Liao; Yue, Zhang

Due to composition segregation and cooling speed, streamline or banded structure were often obtained in the thermal forming parts along the direction of parts forming. Generally speaking, banded structure doesn't decrease the longitudinal mechanical properties, so the secondary banded structure can't get enough attention. The effect of secondary banded structure on the fatigue properties of micro alloyed DG20Mn and 35CrMo steel was investigated using the axial tensile fatigue test of stress ratio of 0.1. The result shows that secondary banded structure was obtained in the center of the steel parts, because of the composition segregation and the lower cooling rate in center part of steel. Secondary banded structure has no significant effect on axial tensile properties of both DG20Mn and 35CrMo, but decreases the axial tensile fatigue performance of DG20Mn steel. This study suggests that under the high cyclic tensile stress, multi-source damage cracks in steel initiated by large strain of pearlite of secondary banded structure, which is larger than damage strain, is the major factor of the decrease of fatigue life of steel.

Systematic analysis of mutation distribution in three dimensional protein structures identifies cancer driver genes.

PubMed

Fujimoto, Akihiro; Okada, Yukinori; Boroevich, Keith A; Tsunoda, Tatsuhiko; Taniguchi, Hiroaki; Nakagawa, Hidewaki

2016-05-26

Protein tertiary structure determines molecular function, interaction, and stability of the protein, therefore distribution of mutation in the tertiary structure can facilitate the identification of new driver genes in cancer. To analyze mutation distribution in protein tertiary structures, we applied a novel three dimensional permutation test to the mutation positions. We analyzed somatic mutation datasets of 21 types of cancers obtained from exome sequencing conducted by the TCGA project. Of the 3,622 genes that had ≥3 mutations in the regions with tertiary structure data, 106 genes showed significant skew in mutation distribution. Known tumor suppressors and oncogenes were significantly enriched in these identified cancer gene sets. Physical distances between mutations in known oncogenes were significantly smaller than those of tumor suppressors. Twenty-three genes were detected in multiple cancers. Candidate genes with significant skew of the 3D mutation distribution included kinases (MAPK1, EPHA5, ERBB3, and ERBB4), an apoptosis related gene (APP), an RNA splicing factor (SF1), a miRNA processing factor (DICER1), an E3 ubiquitin ligase (CUL1) and transcription factors (KLF5 and EEF1B2). Our study suggests that systematic analysis of mutation distribution in the tertiary protein structure can help identify cancer driver genes.

Systematic analysis of mutation distribution in three dimensional protein structures identifies cancer driver genes

PubMed Central

Fujimoto, Akihiro; Okada, Yukinori; Boroevich, Keith A.; Tsunoda, Tatsuhiko; Taniguchi, Hiroaki; Nakagawa, Hidewaki

2016-01-01

Protein tertiary structure determines molecular function, interaction, and stability of the protein, therefore distribution of mutation in the tertiary structure can facilitate the identification of new driver genes in cancer. To analyze mutation distribution in protein tertiary structures, we applied a novel three dimensional permutation test to the mutation positions. We analyzed somatic mutation datasets of 21 types of cancers obtained from exome sequencing conducted by the TCGA project. Of the 3,622 genes that had ≥3 mutations in the regions with tertiary structure data, 106 genes showed significant skew in mutation distribution. Known tumor suppressors and oncogenes were significantly enriched in these identified cancer gene sets. Physical distances between mutations in known oncogenes were significantly smaller than those of tumor suppressors. Twenty-three genes were detected in multiple cancers. Candidate genes with significant skew of the 3D mutation distribution included kinases (MAPK1, EPHA5, ERBB3, and ERBB4), an apoptosis related gene (APP), an RNA splicing factor (SF1), a miRNA processing factor (DICER1), an E3 ubiquitin ligase (CUL1) and transcription factors (KLF5 and EEF1B2). Our study suggests that systematic analysis of mutation distribution in the tertiary protein structure can help identify cancer driver genes. PMID:27225414

Mapping the Structure-Function Relationship in Glaucoma and Healthy Patients Measured with Spectralis OCT and Humphrey Perimetry

PubMed Central

Muñoz–Negrete, Francisco J.; Oblanca, Noelia; Rebolleda, Gema

2018-01-01

Purpose To study the structure-function relationship in glaucoma and healthy patients assessed with Spectralis OCT and Humphrey perimetry using new statistical approaches. Materials and Methods Eighty-five eyes were prospectively selected and divided into 2 groups: glaucoma (44) and healthy patients (41). Three different statistical approaches were carried out: (1) factor analysis of the threshold sensitivities (dB) (automated perimetry) and the macular thickness (μm) (Spectralis OCT), subsequently applying Pearson's correlation to the obtained regions, (2) nonparametric regression analysis relating the values in each pair of regions that showed significant correlation, and (3) nonparametric spatial regressions using three models designed for the purpose of this study. Results In the glaucoma group, a map that relates structural and functional damage was drawn. The strongest correlation with visual fields was observed in the peripheral nasal region of both superior and inferior hemigrids (r = 0.602 and r = 0.458, resp.). The estimated functions obtained with the nonparametric regressions provided the mean sensitivity that corresponds to each given macular thickness. These functions allowed for accurate characterization of the structure-function relationship. Conclusions Both maps and point-to-point functions obtained linking structure and function damage contribute to a better understanding of this relationship and may help in the future to improve glaucoma diagnosis. PMID:29850196

Effect of High Strain-Rate Deformation and Aging Temperature on the Evolution of Structure, Microhardness, and Wear Resistance of Low-Alloyed Cu-Cr-Zr Alloy

NASA Astrophysics Data System (ADS)

Kheifets, A. E.; Khomskaya, I. V.; Korshunov, L. G.; Zel'dovich, V. I.; Frolova, N. Yu.

2018-04-01

The effect of the preliminary high strain-rate deformation, performed via the method of dynamic channel-angular pressing (DCAP), and subsequent annealings on the tribological properties of a dispersionhardened Cu-0.092 wt % Cr-0.086 wt % Zr alloy has been investigated. It has been shown that the surfacelayer material of the alloy with a submicrocrystalline (SMC) structure obtained by the DCAP method can be strengthened using severe plastic deformation by sliding friction at the expense of creating a nanocrystalline structure with crystallites of 15-60 nm in size. It has been shown that the SMC structure obtained by the high strain-rate DCAP deformation decreases the wear rate of the samples upon sliding friction by a factor of 1.4 compared to the initial coarse-grained state. The maximum values of the microhardness and minimum values of the coefficient of friction and shear strength have been obtained in the samples preliminarily subjected to DCAP and aging at 400°C. The attained level of microhardness is 3350 MPa, which exceeds the microhardness of the alloy in the initial coarse-grained state by five times.

Electroplated Fe-Co-Ni films prepared in ammonium-chloride-based plating baths

NASA Astrophysics Data System (ADS)

Yanai, T.; Koda, K.; Kaji, J.; Aramaki, H.; Eguchi, K.; Takashima, K.; Nakano, M.; Fukunaga, H.

2018-05-01

We electroplated Fe-Co-Ni films in ammonium-chloride-based plating baths, and investigated the effect of the Co content on the magnetic properties and the structural ones of the as-plated films. The coercivity increased abruptly when the Co content become more than 60 at.%. As the rough surfaces were observed in the high Co content region, we considered that degradation of the surface is a factor of the abrupt increase in the coercivity. From the XRD analysis, we found that another factor of the abrupt increase is fcc-bcc phase transformation, and concluded that we need to keep the fcc structure to obtain Fe-Co-Ni films with low coercivity.

Dynamical spin structure factors of α-RuCl3

NASA Astrophysics Data System (ADS)

Suzuki, Takafumi; Suga, Sei-ichiro

2018-03-01

Honeycomb-lattice magnet α-RuCl3 is considered to be a potential candidate of realizing Kitaev spin liquid, although this material undergoes a phase transition to the zigzag magnetically ordered state at T N ∼ 7 K. Quite recently, inelastic neutron-scattering experiments using single crystal α-RuCl3 have unveiled characteristic dynamical properties. We calculate dynamical spin structure factors of three ab-initio models for α-RuCl3 with an exact numerical diagonalization method. We also calculate temperature dependences of the specific heat by employing thermal pure quantum states. We compare our numerical results with the experiments and discuss characteristics obtained by using three ab-initio models.

Measuring attachment to life in old age: the Portuguese version of the Positive Valuation of Life Scale (Positive VOL).

PubMed

Araújo, Lia; Ribeiro, Oscar; Teixeira, Laetitia; Azevedo, Maria João; Jopp, Daniela S; Rott, Christoph; Paúl, Constança

2015-10-01

This study aims to present the psychometric properties of the Portuguese version of the Positive Valuation of Life Scale (Lawton et al. in J Aging Ment Healt 13:3-31, 2001). Sample included 207 community-dwelling elders (129 women; M Age = 77.2 years, SD = 7.5). The data collection included the translated and adapted Portuguese version of Positive Valuation of Life Scale, Life Satisfaction Index Z, Meaning in Life Questionnaire and Geriatric Depression Scale. From exploratory factor analysis, two factors emerged, existential beliefs and perceived control, explaining 49 % of the total variance. Both factors were positively related with meaning in life and life satisfaction and negatively related with depression (p < 0.05). The values obtained for internal consistency for the total scale and for each subscale were good (α > 0.75). The Portuguese version of Positive VOL Scale represents a reliable and valid measure to capture the subjective experience of attachment to one's life. The two-factor structure is an update to Lawton's previous work and in line with findings obtained in the USA (Dennis et al. in What is valuation of life for frail community-dwelling older adults: factor structure and criterion validity of the VOL, Thomas Jefferson University, Center for Applied Research on Aging and Health Research, 2005) and Japan (Nakagawa et al. in Shinrigaku Kenkyu 84:37-46, 2013). Future research is required to investigate VOL predictors and the potential changes toward the end of the life span.

Profiles of Asians in Sacramento. Final Report.

ERIC Educational Resources Information Center

Lee, Ivy

This project was undertaken to provide more information on the condition of Asians. More specifically, it sought to: (1) obtain descriptive and demographic data on Asians; (2) determine the extent of usage of existing social services. Structural and attitudinal factors which facilitate or inhibit usage were examined; (3) identify what Asians…

Developing and Validating a Metacognitive Writing Questionnaire for EFL Learners

ERIC Educational Resources Information Center

Farahian, Majid

2017-01-01

In an attempt to develop a metacognitive writing questionnaire, Farahian (2015) conducted a study which was based on the results obtained from a semi-structured interview (Maftoon, Birjandi & Farahian, 2014). After running various exploratory factor analyses (EFA) to validate the questionnaire two general scales of knowledge and regulation of…

Elasto-limited plastic analysis of structures for probabilistic conditions

NASA Astrophysics Data System (ADS)

Movahedi Rad, M.

2018-06-01

With applying plastic analysis and design methods, significant saving in material can be obtained. However, as a result of this benefit excessive plastic deformations and large residual displacements might develop, which in turn might lead to unserviceability and collapse of the structure. In this study, for deterministic problem the residual deformation of structures is limited by considering a constraint on the complementary strain energy of the residual forces. For probabilistic problem the constraint for the complementary strain energy of the residual forces is given randomly and critical stresses updated during the iteration. Limit curves are presented for the plastic limit load factors. The results show that these constraints have significant effects on the load factors. The formulations of the deterministic and probabilistic problems lead to mathematical programming which are solved by the use of nonlinear algorithm.

NRMC - A GPU code for N-Reverse Monte Carlo modeling of fluids in confined media

NASA Astrophysics Data System (ADS)

Sánchez-Gil, Vicente; Noya, Eva G.; Lomba, Enrique

2017-08-01

NRMC is a parallel code for performing N-Reverse Monte Carlo modeling of fluids in confined media [V. Sánchez-Gil, E.G. Noya, E. Lomba, J. Chem. Phys. 140 (2014) 024504]. This method is an extension of the usual Reverse Monte Carlo method to obtain structural models of confined fluids compatible with experimental diffraction patterns, specifically designed to overcome the problem of slow diffusion that can appear under conditions of tight confinement. Most of the computational time in N-Reverse Monte Carlo modeling is spent in the evaluation of the structure factor for each trial configuration, a calculation that can be easily parallelized. Implementation of the structure factor evaluation in NVIDIA® CUDA so that the code can be run on GPUs leads to a speed up of up to two orders of magnitude.

Interfacial layer thickness dependent electrical characteristics of Au/(Zn-doped PVA)/n-4H-SiC (MPS) structures at room temperature

NASA Astrophysics Data System (ADS)

Lapa, Havva Elif; Kökce, Ali; Al-Dharob, Mohammed; Orak, İkram; Özdemir, Ahmet Faruk; Altındal, Semsettin

2017-10-01

Au/(Zn-doped PVA)/n-4H-SiC metal/polymer/semiconductor (MPS) structures with different interfacial layer thickness values (50, 150, 500 nm) were fabricated and their electrical characteristics were compared. Their electrical parameters (i.e. reverse-bias saturation current (Io), ideality factor (n), zero-bias barrier height (BH) (Φbo), series and shunt resistances (Rs, Rsh)) were calculated from the forward bias current-voltage (IF-VF) data whereas other parameters (i.e. Fermi energy level (EF), BH (Vb) and donor concentration (Nd)) were calculated from the linear part of C-2-V characteristics at room temperature. Obtained results confirmed that the values of n, Φbo, Rs and Rsh increase with increasing interlayer thickness, and linear correlation between n and Φbo was observed. The high values of n for three structures can be ascribed to the presence of an interlayer, surface states (Nss) and barrier inhomogeneities. The energy density distribution profile of Nss was obtained from the IF-VF data by taking into account voltage-dependent effective BH (Ve) and n for each structure. The Ri vs V plot for these structures was obtained using both Ohm's law and Nicollian-Brews method. All these experimental results show that the interfacial layer and its thickness play an important role in main electric parameters of these structures.

Ab initio study of several static and dynamic properties of bulk liquid Ni near melting

NASA Astrophysics Data System (ADS)

del Rio, B. G.; González, L. E.; González, D. J.

2017-01-01

Several static and dynamic properties of bulk liquid Ni at a thermodynamic state near its triple point have been evaluated by ab initio molecular dynamics simulations. The calculated static structure shows very good agreement with the available experimental data, including an asymmetric second peak in the static structure factor, which underlines a marked local icosahedral short-range order in the liquid. The dynamical structure reveals propagating density fluctuations, and the calculated dynamic structure factors, S (q ,ω ) , show a good agreement with the inelastic x-ray scattering measurements. The obtained dispersion relation closely follows that obtained from the inelastic x-ray scattering measurements; moreover we analyze the possible reasons behind its discrepancy with respect to the dispersion relation derived from the inelastic neutron scattering data. The dynamical processes behind the S (q ,ω ) have been analyzed by using a model with two decay channels (a fast and a slow) associated with the relaxations of the collective excitations. We have found that the transverse current spectral functions exhibit some features which, so far, had previously been shown by high pressure liquid metals only. Furthermore, the calculated S (q ,ω ) show, within some q-range, the appearance of transverse-like excitation modes, similar to those recently found in other liquid metals. Finally, results are also reported for several transport coefficients.

Dynamics of competitive systems with a single common limiting factor.

PubMed

Kon, Ryusuke

2015-02-01

The concept of limiting factors (or regulating factors) succeeded in formulating the well-known principle of competitive exclusion. This paper shows that the concept of limiting factors is helpful not only to formulate the competitive exclusion principle, but also to obtain other ecological insights. To this end, by focusing on a specific community structure, we study the dynamics of Kolmogorov equations and show that it is possible to derive an ecologically insightful result only from the information about interactions between species and limiting factors. Furthermore, we find that the derived result is a generalization of the preceding work by Shigesada, Kawasaki, and Teramoto (1984), who examined a certain Lotka-Volterra equation in a different context.

Drift Reliability Assessment of a Four Storey Frame Residential Building Under Seismic Loading Considering Multiple Factors

NASA Astrophysics Data System (ADS)

Sil, Arjun; Longmailai, Thaihamdau

2017-09-01

The lateral displacement of Reinforced Concrete (RC) frame building during an earthquake has an important impact on the structural stability and integrity. However, seismic analysis and design of RC building needs more concern due to its complex behavior as the performance of the structure links to the features of the system having many influencing parameters and other inherent uncertainties. The reliability approach takes into account the factors and uncertainty in design influencing the performance or response of the structure in which the safety level or the probability of failure could be ascertained. This present study, aims to assess the reliability of seismic performance of a four storey residential RC building seismically located in Zone-V as per the code provisions given in the Indian Standards IS: 1893-2002. The reliability assessment performed by deriving an explicit expression for maximum roof-lateral displacement as a failure function by regression method. A total of 319, four storey RC buildings were analyzed by linear static method using SAP2000. However, the change in the lateral-roof displacement with the variation of the parameters (column dimension, beam dimension, grade of concrete, floor height and total weight of the structure) was observed. A generalized relation established by regression method which could be used to estimate the expected lateral displacement owing to those selected parameters. A comparison made between the displacements obtained from analysis with that of the equation so formed. However, it shows that the proposed relation could be used directly to determine the expected maximum lateral displacement. The data obtained from the statistical computations was then used to obtain the probability of failure and the reliability.

Probing the triplet correlation function in liquid water by experiments and molecular simulations.

PubMed

Dhabal, Debdas; Wikfeldt, Kjartan Thor; Skinner, Lawrie B; Chakravarty, Charusita; Kashyap, Hemant K

2017-01-25

Despite very significant developments in scattering experiments like X-ray and neutron diffraction, it has been challenging to elucidate the nature of tetrahedral molecular configurations in liquid water. A key question is whether the pair correlation functions, which can be obtained from scattering experiments, are sufficient to describe the tetrahedral ordering of water molecules. In our previous study (Dhabal et al., J. Chem. Phys., 2014, 141, 174504), using data-sets generated from reverse Monte Carlo and molecular dynamics simulations, we showed that the triplet correlation functions contain important information on the tetrahedrality of water in the liquid state. In the present study, X-ray scattering experiments and molecular dynamics (MD) simulations are used to link the isothermal pressure derivative of the structure factor with the triplet correlation functions for water. Triplet functions are determined for water up to 3.3 kbar at 298 K to display the effect of pressure on the water structure. The results suggest that triplet functions (H[combining tilde](q)) obtained using a rigid-body TIP4P/2005 water model are consistent with the experimental results. The triplet functions obtained in experiment as well as in simulations evince that in the case of tetrahedral liquids, exertion of higher pressure leads to a better agreement with the Kirkwood superposition approximation (KSA). We further validate this observation using the triplet correlation functions (g (3) (r,s,t)) calculated directly from simulation trajectory, revealing that both H[combining tilde](q) in q-space and g (3) (r,s,t) in real-space contain similar information on the tetrahedrality of liquids. This study demonstrates that the structure factor, even though it has only pair correlation information of the liquid structure, can shed light on three-body correlations in liquid water through its isothermal pressure derivative term.

Superalgebras for three interacting particles in an external magnetic field

NASA Astrophysics Data System (ADS)

Sadeghi, J.

2006-04-01

In this paper we discuss interacting particles in an external magnetic field. By comparing the Schrödinger equation of three interacting particles with the associated Laguerre differential equation, we obtain the energy spectrum which corresponds to indices ni and mi. Finally by using the so called factorization method we obtain the raising and lowering operators. These operators are supersymmetric structures related to the Hamiltonian partner. Also these operators lead to the realization of Heisenberg Lie superalgebras with two, four and six supercharges.

Factor structure of the happiness-increasing strategies scales (H-ISS): activities and coping strategies in relation to positive and negative affect.

PubMed

Al Nima, Ali; Garcia, Danilo

2015-01-01

Background. Previous research (Tkach & Lyubomirsky, 2006) shows that there are eight general happiness-increasing strategies: social affiliation, partying, mental control, goal pursuit, passive leisure, active leisure, religion, and direct attempts. The present study investigates the factor structure of the happiness-increasing strategies scales (H-ISS) and their relationship to positive and negative affect. Method. The present study used participants' (N = 1,050 and age mean = 34.21 sd = 12.73) responses to the H-ISS in structural equation modeling analyses. Affect was measured using the Positive Affect Negative Affect Schedule. Results. After small modifications we obtained a good model that contains the original eight factors/scales. Moreover, we found that women tend to use social affiliation, mental control, passive leisure, religion, and direct attempts more than men, while men preferred to engage in partying and clubbing more than women. The H-ISS explained significantly the variance of positive affect (R (2) = .41) and the variance of negative affect (R (2) = .27). Conclusions. Our study is an addition to previous research showing that the factor structure of the happiness-increasing strategies is valid and reliable. However, due to the model fitting issues that arise in the present study, we give some suggestions for improving the instrument.

Clustering of leptin and physical activity with components of metabolic syndrome in Iranian population: an exploratory factor analysis.

PubMed

Esteghamati, Alireza; Zandieh, Ali; Khalilzadeh, Omid; Morteza, Afsaneh; Meysamie, Alipasha; Nakhjavani, Manouchehr; Gouya, Mohammad Mehdi

2010-10-01

Metabolic syndrome (MetS), manifested by insulin resistance, dyslipidemia, central obesity, and hypertension, is conceived to be associated with hyperleptinemia and physical activity. The aim of this study was to elucidate the factors underlying components of MetS and also to test the suitability of leptin and physical activity as additional components of this syndrome. Data of the individuals without history of diabetes mellitus, aged 25-64 years, from third national surveillance of risk factors of non-communicable diseases (SuRFNCD-2007), were analyzed. Performing factor analysis on waist circumference, homeostasis model assessment of insulin resistance, systolic blood pressure, triglycerides (TG) and high-density lipoprotein cholesterol (HDL-C) led to extraction of two factors which explained around 59.0% of the total variance in both genders. When TG and HDL-C were replaced by TG to HDL-C ratio, a single factor was obtained. In contrast to physical activity, addition of leptin was consistent with one-factor structure of MetS and improved the ability of suggested models to identify obesity (BMI≥30 kg/m2, P<0.01), using receiver-operator characteristics curve analysis. In general, physical activity loaded on the first identified factor. Our study shows that one underlying factor structure of MetS is also plausible and the inclusion of leptin does not interfere with this structure. Further, this study suggests that physical activity influences MetS components via modulation of the main underlying pathophysiologic pathway of this syndrome.

Pore size distribution effect on rarefied gas transport in porous media

NASA Astrophysics Data System (ADS)

Hori, Takuma; Yoshimoto, Yuta; Takagi, Shu; Kinefuchi, Ikuya

2017-11-01

Gas transport phenomena in porous media are known to strongly influence the performance of devices such as gas separation membranes and fuel cells. Knudsen diffusion is a dominant flow regime in these devices since they have nanoscale pores. Many experiments have shown that these porous media have complex structures and pore size distributions; thus, the diffusion coefficient in these media cannot be easily assessed. Previous studies have reported that the characteristic pore diameter of porous media can be defined in light of the pore size distribution; however, tortuosity factor, which is necessary for the evaluation of diffusion coefficient, is still unknown without gas transport measurements or simulations. Thus, the relation between pore size distributions and tortuosity factors is required to obtain the gas transport properties. We perform numerical simulations to prove the relation between them. Porous media are numerically constructed while satisfying given pore size distributions. Then, the mean-square displacement simulation is performed to obtain the tortuosity factors of the constructed porous media.. This paper is based on results obtained from a project commissioned by the New Energy and Industrial Development Organization (NEDO).

Application of a Probalistic Sizing Methodology for Ceramic Structures

NASA Astrophysics Data System (ADS)

Rancurel, Michael; Behar-Lafenetre, Stephanie; Cornillon, Laurence; Leroy, Francois-Henri; Coe, Graham; Laine, Benoit

2012-07-01

Ceramics are increasingly used in the space industry to take advantage of their stability and high specific stiffness properties. Their brittle behaviour often leads to size them by increasing the safety factors that are applied on the maximum stresses. It induces to oversize the structures. This is inconsistent with the major driver in space architecture, the mass criteria. This paper presents a methodology to size ceramic structures based on their failure probability. Thanks to failure tests on samples, the Weibull law which characterizes the strength distribution of the material is obtained. A-value (Q0.0195%) and B-value (Q0.195%) are then assessed to take into account the limited number of samples. A knocked-down Weibull law that interpolates the A- & B- values is also obtained. Thanks to these two laws, a most-likely and a knocked- down prediction of failure probability are computed for complex ceramic structures. The application of this methodology and its validation by test is reported in the paper.

Phonon and magnetic structure in δ-plutonium from density-functional theory

DOE PAGES

Söderlind, Per; Zhou, F.; Landa, A.; ...

2015-10-30

We present phonon properties of plutonium metal obtained from a combination of density-functional-theory (DFT) electronic structure and the recently developed compressive sensing lattice dynamics (CSLD). The CSLD model is here trained on DFT total energies of several hundreds of quasi-random atomic configurations for best possible accuracy of the phonon properties. The calculated phonon dispersions compare better with experiment than earlier results obtained from dynamical mean-field theory. The density-functional model of the electronic structure consists of disordered magnetic moments with all relativistic effects and explicit orbital-orbital correlations. The magnetic disorder is approximated in two ways: (i) a special quasi-random structure andmore » (ii) the disordered-local-moment (DLM) method within the coherent potential approximation. Magnetism in plutonium has been debated intensely, However, the present magnetic approach for plutonium is validated by the close agreement between the predicted magnetic form factor and that of recent neutron-scattering experiments.« less

A multiple indicator, multiple cause method for representing social capital with an application to psychological distress

NASA Astrophysics Data System (ADS)

Congdon, Peter

2010-03-01

This paper describes a structural equation methodology for obtaining social capital scores for survey subjects from multiple indicators of social support, neighbourhood and trust perceptions, and memberships of organizations. It adjusts for variation that is likely to occur in levels of social capital according to geographic context (e.g. level of area deprivation, geographic region, level of urbanity) and demographic group. Social capital is used as an explanatory factor for psychological distress using data from the 2006 Health Survey for England. A highly significant effect of social capital in reducing the chance of psychiatric caseness is obtained after controlling for other individual and geographic risk factors. Allowing for social capital has considerable effects on the impacts on psychiatric health of other risk factors. In particular, the impact of area deprivation category is much reduced. There is also evidence of significant differentiation in social capital between population categories and geographic contexts.

Factor structure of the Hooper Visual Organization Test: a cross-cultural replication and extension.

PubMed

Merten, Thomas

2005-01-01

To investigate construct validity of the Hooper Visual Organization Test (VOT), a principal-axis analysis was performed on the neuropsychological test results of 200 German-speaking neurological patients who received a comprehensive battery, encompassing tests of visuospatial functions, memory, attention, executive functions, naming ability, and vocabulary. A four-factor solution was obtained with substantial loadings of the VOT only on the first factor, interpreted as a global dimension of non-verbal cognitive functions. This factor loaded significantly on numerous measures of visuospatial processing and attention (with particularly high loadings on WAIS-R Block Design, Trails A and B, and Raven's Standard Progressive Matrices). The remaining three factors were interpreted as memory, verbal abilities (vocabulary), and a separate factor of naming abilities.

Biological and structural analyses of bovine heparin fractions of intermediate and high molecular weight.

PubMed

Nogueira, Alexsandro V; Drehmer, Daiana L; Iacomini, Marcello; Sassaki, Guilherme L; Cipriani, Thales R

2017-02-10

Low molecular weight heparin, which is generally obtained by chemical and enzymatic depolymerization of unfractionated heparin, has high bioavailability and can be subcutaneously injected. The aim of the present investigation was to fractionate bovine heparin using a physical method (ultrafiltration through a 10kDa cut-off membrane), avoiding structural modifications that can be caused by chemical or enzymatic treatments. Two fractions with different molecular weights were obtained: the first had an intermediate molecular weight (B-IMWH; Mn=9587Da) and the other had a high molecular weight (B-HMWH; 22,396Da). B-IMWH and B-HMWH have anticoagulant activity of 103 and 154IU/mg respectively, which could be inhibited by protamine. Both fractions inhibited α-thrombin and factor Xa in vitro and showed antithrombotic effect in vivo. Moreover, ex vivo aPTT assay demonstrated that B-IMWH is absorbed by subcutaneous route. The results showed that ultrafiltration can be used to obtain two bovine heparin fractions, which differ on their molecular weights, structural components, anticoagulant potency, and administration routes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Hydration of Caffeine at High Temperature by Neutron Scattering and Simulation Studies.

PubMed

Tavagnacco, L; Brady, J W; Bruni, F; Callear, S; Ricci, M A; Saboungi, M L; Cesàro, A

2015-10-22

The solvation of caffeine in water is examined with neutron diffraction experiments at 353 K. The experimental data, obtained by taking advantage of isotopic H/D substitution in water, were analyzed by empirical potential structure refinement (EPSR) in order to extract partial structure factors and site-site radial distribution functions. In parallel, molecular dynamics (MD) simulations were carried out to interpret the data and gain insight into the intermolecular interactions in the solutions and the solvation process. The results obtained with the two approaches evidence differences in the individual radial distribution functions, although both confirm the presence of caffeine stacks at this temperature. The two approaches point to different accessibility of water to the caffeine sites due to different stacking configurations.

Prediction study of structural, elastic and electronic properties of FeMP (M = Ti, Zr, Hf) compounds

NASA Astrophysics Data System (ADS)

Tanto, A.; Chihi, T.; Ghebouli, M. A.; Reffas, M.; Fatmi, M.; Ghebouli, B.

2018-06-01

First principles calculations are applied in the study of FeMP (M = Ti, Zr, Hf) compounds. We investigate the structural, elastic, mechanical and electronic properties by combining first-principles calculations with the CASTEP approach. For ideal polycrystalline FeMP (M = Ti, Zr, Hf) the shear modulus, Young's modulus, Poisson's ratio, elastic anisotropy indexes, Pugh's criterion, elastic wave velocities and Debye temperature are also calculated from the single crystal elastic constants. The shear anisotropic factors and anisotropy are obtained from the single crystal elastic constants. The Debye temperature is calculated from the average elastic wave velocity obtained from shear and bulk modulus as well as the integration of elastic wave velocities in different directions of the single crystal.

Cross-cultural adaptation and psychometric properties of the Korean Scale for Internet Addiction (K-Scale) in Japanese high school students.

PubMed

Mak, Kwok-Kei; Nam, JeeEun Karin; Kim, Dongil; Aum, Narae; Choi, Jung-Seok; Cheng, Cecilia; Ko, Huei-Chen; Watanabe, Hiroko

2017-03-01

The Korean Scale for Internet Addiction (K-Scale) was developed in Korea for assessing addictive internet behaviors. This study aims to adopt K-Scale and examine its psychometric properties in Japanese adolescents. In 2014, 589 (36.0% boys) high school students (Grade 10-12) from Japan completed a survey, including items of Japanese versions of K-Scale and Smartphone Scale for Smartphone Addiction (S-Scale). Model fit indices of the original four-factor structure, three-factor structure obtained from exploratory factor analysis, and improved two-factor structure of K-Scale were computed using confirmatory factor analysis, with internal reliability of included items reported. The convergent validity of K-Scale was tested against self-rated internet addiction, and S-Scale using multiple regression models. The results showed that a second-order two-factor 13-item structure was the most parsimonious model (NFI=0.919, NNFI=0.935, CFI=0.949, and RMSEA=0.05) with good internal reliability (Cronbach's alpha=0.87). The two factors revealed were "Disturbance of Adaptation and Life Orientation" and "Withdrawal and Tolerance". Moreover, the correlation between internet user classifications defined by K-Scale and self-rating was significant. K-Scale total score was significantly and positively associated with S-Scale total (adjusted R 2 =0.440) and subscale scores (adjusted R 2 =0.439). In conclusion, K-Scale is a valid and reliable assessment scale of internet addiction for Japanese high school students after modifications. Copyright © 2017. Published by Elsevier B.V.

Effects of C3+ ion irradiation on structural, electrical and magnetic properties of Ni nanotubes

NASA Astrophysics Data System (ADS)

Shlimas, D. I.; Kozlovskiy, A. L.; Zdorovets, M. V.; Kadyrzhanov, K. K.; Uglov, V. V.; Kenzhina, I. E.; Shumskaya, E. E.; Kaniukov, E. Y.

2018-03-01

Ion irradiation is an attractive method for obtaining nanostructures that can be used under extreme conditions. Also, it is possible to control the technological process that allows obtaining nanomaterials with new properties at ion irradiation. In this paper, we study the effect of irradiation with 28 MeV C3+ ions and fluences up to 5 × 1011 cm-2 on the structure and properties of template-synthesized nickel nanotubes with a length of 12 μm, with diameters of 400 nm, and a wall thickness of 100 nm. It is demonstrated that the main factor influencing the degradation of nanostructures under irradiation in PET template is the processes of mixing the material of nanostructures with the surrounding polymer. The influence of irradiation with various fluences on the crystal structure, electrical and magnetic properties of nickel nanotubes is studied.

FTIR study of secondary structure of bovine serum albumin and ovalbumin

NASA Astrophysics Data System (ADS)

Abrosimova, K. V.; Shulenina, O. V.; Paston, S. V.

2016-11-01

Proteins structure is the critical factor for their functioning. Fourier transform infrared spectroscopy provides a possibility to obtain information about secondary structure of proteins in different states and also in a whole biological samples. Infrared spectra of egg white from the untreated and hard-boiled hen's egg, and also of chicken ovalbumin and bovine serum albumin in lyophilic form and in aqueous solution were studied. Lyophilization of investigated globular proteins is accompanied by the decrease of a-helix structures and the increase in amount of intermolecular β-sheets. Analysis of infrared spectrum of egg white allowed to make an estimation of OVA secondary structure and to observe α-to-β structural transformation as a result of the heat denaturation.

[Development of a scale to measure leadership capacity of players in sports teams].

PubMed

Arce, Constantino; Torrado, Julio; Andrade, Elena; Garrido, Javier; de Francisco, Cristina

2008-11-01

This study describes the process of developing a scale to measure the leadership capacity of players in sports teams. Research into sports leadership has focused almost exclusively on the formal leadership of the coach, in which the studies by Chelladurai, with his five-factor model, have become an essential point of reference. Nevertheless, hardly any research has been carried out into the leadership that certain players exercise over the other team members. For this purpose, a sample of 143 male basketball players was used; these participants were asked to evaluate the characteristics of the sports leader over a total of 54 indicators. Firstly, explanatory factor analysis was performed with participants' responses, using principal axis and oblique rotation methods. The factor structure obtained was then subjected to confirmatory factorial analysis, enabling us to propose a Sports Leader Evaluation Scale (EELD, in Spanish) with 18 items grouped into 3 factors, denominated empathy and responsibility, assertiveness, and impulsiveness. Satisfactory fit indices were obtained for the model, for the reliability of items and for the internal consistency of factors.

Attenuation Tomography Based on Strong Motion Data: Case Study of Central Honshu Region, Japan

NASA Astrophysics Data System (ADS)

Kumar, Parveen; Joshi, A.; Verma, O. P.

2013-12-01

Three-dimensional frequency dependent S-wave quality factor (Qβ(f)) value for the central Honshu region of Japan has been determined in this paper using an algorithm based on inversion of strong motion data. The method of inversion for determination of three-dimensional attenuation coefficients is proposed by H ashida and S himazaki (J Phys Earth. 32, 299-316, 1984) and has been used and modified by J oshi (Curr Sci. 90, 581-585, 2006; Nat Hazards. 43, 129-146, 2007) and J oshi et al. (J. Seismol. 14, 247-272, 2010). Twenty-one earthquakes digitally recorded on strong motion stations of Kik-net network have been used in this work. The magnitude of these earthquake ranges from 3.1 to 4.2 and depth ranging from 5 to 20 km, respectively. The borehole data having high signal to noise ratio and minimum site effect is used in the present work. The attenuation structure is determined by dividing the entire area into twenty-five three-dimensional blocks of uniform thickness having different frequency-dependent shear wave quality factor. Shear wave quality factor values have been determined at frequencies of 2.5, 7.0 and 10 Hz from record in a rectangular grid defined by 35.4°N to 36.4°N and 137.2°E to 138.2°E. The obtained attenuation structure is compared with the available geological features in the region and comparison shows that the obtained structure is capable of resolving important tectonic features present in the area. The proposed attenuation structure is compared with the probabilistic seismic hazard map of the region and shows that it bears some remarkable similarity in the patterns seen in seismic hazard map.

Is gravidity 4+ a risk factor for oral clefts? A case-control study in eight South american countries using structural equation modeling.

PubMed

Gili, Juan Antonio; Poletta, Fernando Adrián; Campaña, Hebe; Comas, Belén; Pawluk, Mariela; Rittler, Monica; López-Camelo, Jorge Santiago

2013-09-01

Background : There is disagreement about the association between cleft lip with or without cleft palate and multigravidity, which could be explained by differences of adjusting for maternal age, Amerindian ancestry, and socioeconomic status. Objective : The aim was to evaluate gravidity 4+ (four or more gestations) as a risk factor for cleft lip with or without cleft palate in South America. Design : We used a matched (1:1) case-control study with structural equation modeling for related causes. Data were obtained from 1,371,575 consecutive newborn infants weighing ≥500 g who were born in the hospitals of the Estudio Colaborativo Latinoamericano de Malformaciones Congénitas (ECLAMC) network between 1982 and 1999. There were a total of 1,271 cases with cleft lip with or without cleft palate (excluding midline and atypical cleft lip with or without cleft palate). A total of 1,227 case-control pairs were obtained, matched by maternal age, newborn gender, and year and place of birth. Potential confounders and intermediary variables were analyzed with structural equation modeling. Results : The crude risk of gravidity 4+ was 1.41 and the 95% confidence interval was 1.14 to 1.61. When applying structural equation modeling, the effect of multigravidity on the risk of cleft lip with or without cleft palate was 1.22 and the 95% confidence interval was 0.91 to 1.39. Conclusions : Multigravid mothers (more than four gestations) showed no greater risk of bearing children who had cleft lip with or without cleft palate than mothers with two or three births. Therefore, the often observed and reported association between multigravidity and oral clefts likely reflects the effect of other risk factors related to low socioeconomic status in South American populations.

Structural Studies of Silver Nanoparticles Obtained Through Single-Step Green Synthesis

NASA Astrophysics Data System (ADS)

Prasad Peddi, Siva; Abdallah Sadeh, Bilal

2015-10-01

Green synthesis of silver Nanoparticles (AGNP's) has been the most prominent among the metallic nanoparticles for research for over a decade and half now due to both the simplicity of preparation and the applicability of biological species with extensive applications in medicine and biotechnology to reduce and trap the particles. The current article uses Eclipta Prostrata leaf extract as the biological species to cap the AGNP's through a single step process. The characterization data obtained was used for the analysis of the sample structure. The article emphasizes the disquisition of their shape and size of the lattice parameters and proposes a general scheme and a mathematical model for the analysis of their dependence. The data of the synthesized AGNP's has been used to advantage through the introduction of a structural shape factor for the crystalline nanoparticles. The properties of the structure of the AGNP's proposed and evaluated through a theoretical model was undeviating with the experimental consequences. This modus operandi gives scope for the structural studies of ultrafine particles prepared using biological methods.

Structureborne noise measurements on a small twin-engine aircraft

NASA Technical Reports Server (NTRS)

Cole, J. E., III; Martini, K. F.

1988-01-01

Structureborne noise measurements performed on a twin-engine aircraft (Beechcraft Baron) are reported. There are two overall objectives of the test program. The first is to obtain data to support the development of analytical models of the wing and fuselage, while the second is to evaluate effects of structural parameters on cabin noise. Measurements performed include structural and acoustic responses to impact excitation, structural and acoustic loss factors, and modal parameters of the wing. Path alterations include added mass to simulate fuel, variations in torque of bolts joining wing and fuselage, and increased acoustic absorption. Conclusions drawn regarding these measurements are presented.

Structureborne noise measurements on a small twin-engine aircraft

NASA Astrophysics Data System (ADS)

Cole, J. E., III; Martini, K. F.

1988-06-01

Structureborne noise measurements performed on a twin-engine aircraft (Beechcraft Baron) are reported. There are two overall objectives of the test program. The first is to obtain data to support the development of analytical models of the wing and fuselage, while the second is to evaluate effects of structural parameters on cabin noise. Measurements performed include structural and acoustic responses to impact excitation, structural and acoustic loss factors, and modal parameters of the wing. Path alterations include added mass to simulate fuel, variations in torque of bolts joining wing and fuselage, and increased acoustic absorption. Conclusions drawn regarding these measurements are presented.

[Factorial Structure of the Cardiff Anomalous Perceptions Scale (CAPS) in a Colombian Population Sample].

PubMed

Tamayo-Agudelo, William; Jaén-Moreno, María José; Luque-Luque, Rogelio

2015-01-01

The continuum hypothesis of psychosis assumes that hallucinations are not exclusive of psychotic disorders. A number of psychometric tests have been developed to assess psychosis using a dimensional model. To determine the factorial structure of the Cardiff Anomalous Perceptions Scale (CAPS) for the Colombian population, and to contrast the fit of two factor models previously reported in the literature by conducting a confirmatory factor analysis (CFA). This was a cross-sectional study in which 207 subjects from the general population were assessed using the Cardiff Anomalous Perceptions Scale. A two-factor structure with acceptable ordinal alpha coefficients (α=.88 and α=.87) was found. One factor gathered items related to multimodal perceptual alterations, and a second factor grouped items related with experiences linked to the temporal lobe. The analysis of the first factor indicated that it was dependent on cultural issues for the interpretation of sensations. The second factor appeared almost unchanged on diverse populations, suggesting its transcultural character. When comparing the models proposed by Bell et al. and Jaen-Moreno et al. using the data obtained from the sample, the confirmatory factor analysis conducted indicated inadequate goodness-of-fit indexes (χ(2)). However, some incremental goodness-of-fit indexes (normalized χ(2) [RMSEA]) were acceptable. The Jaén-Moreno et al. model showed the best fit to the data collected from the Colombian sample. The factorial structure of CAPS for the Colombian population appears to be sensitive to cultural issues, especially when describing anomalous sensorial experiences. Copyright © 2015 Asociación Colombiana de Psiquiatría. Publicado por Elsevier España. All rights reserved.

A new approach to approximating the linear quadratic optimal control law for hereditary systems with control delays

NASA Technical Reports Server (NTRS)

Milman, M. H.

1985-01-01

A factorization approach is presented for deriving approximations to the optimal feedback gain for the linear regulator-quadratic cost problem associated with time-varying functional differential equations with control delays. The approach is based on a discretization of the state penalty which leads to a simple structure for the feedback control law. General properties of the Volterra factors of Hilbert-Schmidt operators are then used to obtain convergence results for the feedback kernels.

The engine fuel system fault analysis

NASA Astrophysics Data System (ADS)

Zhang, Yong; Song, Hanqiang; Yang, Changsheng; Zhao, Wei

2017-05-01

For improving the reliability of the engine fuel system, the typical fault factor of the engine fuel system was analyzed from the point view of structure and functional. The fault character was gotten by building the fuel system fault tree. According the utilizing of fault mode effect analysis method (FMEA), several factors of key component fuel regulator was obtained, which include the fault mode, the fault cause, and the fault influences. All of this made foundation for next development of fault diagnosis system.

Influence of social and environmental factors on dust, lead, hand lead, and blood lead levels in young children

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

Bornschein, R.L.; Succop, P.; Dietrich, K.N.

The roles of environmental and behavioral factors in determining blood lead levels were studied in a cohort of young children living in an urban environment. The subjects were observed at 3-month intervals from birth to 24 months of age. Repeated measurements were made of the children's blood lead levels, environmental levels of lead in house dust, and in the dust found on the children's hands. A qualitative rating of the residence and of the socioeconomic status of the family was obtained. Interviews and direct observation of parent and child at home were used to evaluate various aspects of caretaker-child interactions.more » Data analysis consisted of a comparison of results obtained by (a) simple correlational analysis, (b) multiple regression analysis, and (c) structural equations analysis. The results demonstrated that structural equation modeling offers a useful approach to unraveling the complex interactions present in the data set. In this preliminary analysis, the suspected relationship between the levels of lead in house dust and on hands and the blood lead level was clearly demonstrated. Furthermore, the analyses indicated an important interplay between environmental sources and social factors in the determination of hand lead and blood lead levels in very young children.« less

Relativistic effects on x-ray structure factors

NASA Astrophysics Data System (ADS)

Batke, Kilian; Eickerling, Georg

2016-04-01

Today, combined experimental and theoretical charge density studies based on quantum chemical calculations and x-ray diffraction experiments allow for the investigation of the topology of the electron density at subatomic resolution. When studying compounds containing transition metal elements, relativistic effects need to be adequately taken into account not only in quantum chemical calculations of the total electron density ρ ({r}), but also for the atomic scattering factors employed to extract ρ ({r}) from experimental x-ray diffraction data. In the present study, we investigate the magnitude of relativistic effects on x-ray structure factors and for this purpose {F}({{r}}*) have been calculated for the model systems M(C2H2) (M = Ni, Pd, Pt) from four-component molecular wave functions. Relativistic effects are then discussed by a comparison to structure factors obtained from a non-relativistic reference and different quasi-relativistic approximations. We show, that the overall effects of relativity on the structure factors on average amount to 0.81%, 1.51% and 2.78% for the three model systems under investigation, but that for individual reflections or reflection series the effects can be orders of magnitude larger. Employing the quasi-relativistic Douglas-Kroll-Hess second order or the zeroth order regular approximation Hamiltonian takes these effects into account to a large extend, reducing the differences between the (quasi-)relativistic and the non-relativistic result by one order of magnitude. In order to further determine the experimental significance of the results, the magnitude of the relativistic effects is compared to the changes of the model structure factor data when charge transfer and chemical bonding is taken into account by a multipolar expansion of {F}({{r}}*).

The Effects of Warhead-Induced Damage on the Aeroelastic Characteristics of Lifting Surfaces. Volume I. Aeroelastic Effects.

DTIC Science & Technology

1980-07-01

Arnold. Some further insight into the problem is obtained here, however, when it is demonstrated that highly optimized structural designs may...aircraft of this type are normally designed to withstand loads up to 1.5 times the maximum limit load (load factor 8.0 to 8.67), the structure should...on the wing, for example, give rise to concentrated drag and chordwise loadings as does the recoil from firing wing mounted gun systems . The drag on

Calculation of structural dynamic forces and stresses using mode acceleration

NASA Technical Reports Server (NTRS)

Blelloch, Paul

1989-01-01

While the standard mode acceleration formulation in structural dynamics has often been interpreted to suggest that the reason for improved convergence obtainable is that the dynamic correction factor is divided by the modal frequencies-squared, an alternative formulation is presented which clearly indicates that the only difference between mode acceleration and mode displacement data recovery is the addition of a static correction term. Attention is given to the advantages in numerical implementation associated with this alternative, as well as to an illustrative example.

Tau lepton polarization in quasielastic neutrino-nucleon scattering

NASA Astrophysics Data System (ADS)

Kuzmin, Konstantin S.; Lyubushkin, Vladimir V.; Naumov, Vadim A.

2005-02-01

We derive structure functions for the quasielastic production of octet baryons in νn and νp interactions and study the polarization of τ leptons produced in the ΔY=0 reactions. Possible impact of the charged second-class currents is investigated by adopting a simple phenomenological parametrization for the nonstandard scalar and tensor nucleon form factors. Our choice of the unknown parameters is made to satisfy the limits obtained in the (anti)neutrino scattering experiments and rigid restrictions derived from the nuclear structure studies.

Interactions of Indole Derivatives with β-Cyclodextrin: A Quantitative Structure-Property Relationship Study

PubMed Central

Šoškić, Milan; Porobić, Ivana

2016-01-01

Retention factors for 31 indole derivatives, most of them with auxin activity, were determined by high-performance liquid chromatography, using bonded β-cyclodextrin as a stationary phase. A three-parameter QSPR (quantitative structure-property relationship) model, based on physico-chemical and structural descriptors was derived, which accounted for about 98% variations in the retention factors. The model suggests that the indole nucleus occupies the relatively apolar cavity of β-cyclodextrin while the carboxyl group of the indole -3-carboxylic acids makes hydrogen bonds with the hydroxyl groups of β-cyclodextrin. The length and flexibility of the side chain containing carboxyl group strongly affect the binding of these compounds to β-cyclodextrin. Non-acidic derivatives, unlike the indole-3-carboxylic acids, are poorly retained on the column. A reasonably well correlation was found between the retention factors of the indole-3-acetic acids and their relative binding affinities for human serum albumin, a carrier protein in the blood plasma. A less satisfactory correlation was obtained when the retention factors of the indole derivatives were compared with their affinities for auxin-binding protein 1, a plant auxin receptor. PMID:27124734

An exploration of the structure of mentors' behavior in nursing education using exploratory factor analysis and Mokken scale analysis.

PubMed

Chen, Yanhua; Watson, Roger; Hilton, Andrea

2016-05-01

To understand nursing students' expectation from their mentors and assess mentors' performance, a scale of mentors' behavior was developed based on literature review and focus group in China. This study aims to explore the structure of mentors' behavior. A cross-sectional survey. Data were collected from nursing students in three hospitals in southwest China in 2014. A total of 669 pre-registered nursing students in their final year clinical learning participated in this study. Exploratory factor analysis and Mokken scale analysis was employed to explore the structure and hierarchical property of mentors' behavior. Three dimensions (professional development, facilitating learning and psychosocial support) were identified by factor analysis and confirmed by Mokken scaling analysis. The three sub-scales showed internal consistency reliability from 87% to 91%, and moderate to strong precision in ordering students' expectation about mentors' behavior and a small Mokken scale showing hierarchy was identified. Some insight into the structure of mentoring in nursing education has been obtained and a scale which could be used in the study of mentoring and in the preparation of mentors has been developed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Development of Equivalent Material Properties of Microbump for Simulating Chip Stacking Packaging

PubMed Central

Lee, Chang-Chun; Tzeng, Tzai-Liang; Huang, Pei-Chen

2015-01-01

A three-dimensional integrated circuit (3D-IC) structure with a significant scale mismatch causes difficulty in analytic model construction. This paper proposes a simulation technique to introduce an equivalent material composed of microbumps and their surrounding wafer level underfill (WLUF). The mechanical properties of this equivalent material, including Young’s modulus (E), Poisson’s ratio, shear modulus, and coefficient of thermal expansion (CTE), are directly obtained by applying either a tensile load or a constant displacement, and by increasing the temperature during simulations, respectively. Analytic results indicate that at least eight microbumps at the outermost region of the chip stacking structure need to be considered as an accurate stress/strain contour in the concerned region. In addition, a factorial experimental design with analysis of variance is proposed to optimize chip stacking structure reliability with four factors: chip thickness, substrate thickness, CTE, and E-value. Analytic results show that the most significant factor is CTE of WLUF. This factor affects microbump reliability and structural warpage under a temperature cycling load and high-temperature bonding process. WLUF with low CTE and high E-value are recommended to enhance the assembly reliability of the 3D-IC architecture. PMID:28793495

Extending Structural Analyses of the Rosenberg Self-Esteem Scale to Consider Criterion-Related Validity: Can Composite Self-Esteem Scores Be Good Enough?

PubMed

Donnellan, M Brent; Ackerman, Robert A; Brecheen, Courtney

2016-01-01

Although the Rosenberg Self-Esteem Scale (RSES) is the most widely used measure of global self-esteem in the literature, there are ongoing disagreements about its factor structure. This methodological debate informs how the measure should be used in substantive research. Using a sample of 1,127 college students, we test the overall fit of previously specified models for the RSES, including a newly proposed bifactor solution (McKay, Boduszek, & Harvey, 2014 ). We extend previous work by evaluating how various latent factors from these structural models are related to a set of criterion variables frequently studied in the self-esteem literature. A strict unidimensional model poorly fit the data, whereas models that accounted for correlations between negatively and positively keyed items tended to fit better. However, global factors from viable structural models had similar levels of association with criterion variables and with the pattern of results obtained with a composite global self-esteem variable calculated from observed scores. Thus, we did not find compelling evidence that different structural models had substantive implications, thereby reducing (but not eliminating) concerns about the integrity of the self-esteem literature based on overall composite scores for the RSES.

The Views of Teacher Candidates on Using Cloud Technologies in Education

ERIC Educational Resources Information Center

Korucu, Agah Tugrul

2017-01-01

This study aims to describe the views of student IT teachers' and the factors which affect their priorities to use cloud services progressively. The study is conducted by qualitative research approach. The data obtained from the department of Computer Education and Instructional Technology students are collected by "structured form for the…

Structure of Student Time Management Scale (STMS)

ERIC Educational Resources Information Center

Balamurugan, M.

2013-01-01

With the aim of constructing a Student Time Management Scale (STMS), the initial version was administered and data were collected from 523 standard eleventh students. (Mean age = 15.64). The data obtained were subjected to Reliability and Factor analysis using PASW Statistical software version 18. From 42 items 14 were dropped, resulting in the…

Real life is different: a qualitative study of why women delay abortion until the second trimester in Vietnam.

PubMed

Gallo, Maria F; Nghia, Nguyen C

2007-05-01

Although legal and safe-induced abortion services are available on request in Vietnam, second-trimester abortion still occurs. Given the increased risks and higher costs associated with later-term abortions, we conducted a qualitative study to understand the determinants of delaying abortion until the second trimester. We used purposive sampling to conduct semi-structured face-to-face interviews with 60 women aged 14-47 receiving an abortion at 13-24 weeks of gestation in 5 health facilities in 3 provinces in Vietnam. We also interviewed 6 providers from the study facilities. Three broad categories for factors influencing delays in obtaining abortions emerged: most women failed to recognize their pregnancy during the first trimester; women described structural barriers to accessing services earlier; and some women either needed time to make a decision or only decided to abort after other events had transpired. A richer understanding of the factors that prevent women from obtaining an abortion during the first trimester could be useful for informing interventions that support women in receiving care earlier during their pregnancies.

Psychometric evaluation and sex invariance of the Spanish version of the Body and Appearance Self-Conscious Emotions Scale.

PubMed

Alcaraz-Ibáñez, Manuel; Sicilia, Alvaro

2018-06-01

This study examined the psychometric properties of a Spanish translation of the Body and Appearance Self-Conscious Emotions Scale (BASES; Castonguay et al., 2014) in a sample of university Spanish students. A total of 815 participants enrolled in two public universities located in Almería and Elche, Spain, completed the BASES along with measures of social physique anxiety and positive/negative affect. Exploratory and confirmatory factor analyses showed that one item failed to load clearly on the hypothesized factor (guilt). Once it was removed, results supported the hypothesized four-factor structure. Evidence of invariance of the four-factor structure across sex was obtained. Scores on the BASES showed adequate internal consistency and acceptable convergent validity. Compared to men, women reported significantly higher body and appearance-related guilt and shame, and significant lower authentic and hubristic pride. Preliminary evidence supporting the validity and reliability of the Spanish translation of the BASES is provided. Copyright © 2018 Elsevier Ltd. All rights reserved.

Resonant light emission from uniaxially tensile-strained Ge microbridges

NASA Astrophysics Data System (ADS)

Zhou, Peiji; Xu, Xuejun; Matsushita, Sho; Sawano, Kentarou; Maruizumi, Takuya

2018-04-01

A highly strained germanium microbridge is a promising platform for realizing monolithically integrated lasers on a silicon substrate. However, it remains challenging to combine it with optical resonators. Here, we have observed resonant light emission peaks with Q-factors of about 180 in room-temperature photoluminescence spectra from uniaxially tensile-strained germanium microbridges. These peaks are found to correspond to the resonance in Fabry–Perot (FP) cavities formed transversely to the uniaxial stress axis. On the basis of this phenomenon, we design a Fabry–Perot cavity by adding distributed Bragg reflectors (DBRs) laterally to the microbridge. With this design, the optical performance can be optimized without disturbing to the mechanical structure. A Q-factor as high as 1400 is obtained from numerical simulation. Moreover, we prove by theoretical analysis deduction and calculation that the lateral structure will not decrease the strain, unlike the on-pad DBR structure. The structure thus provides a promising solution for the realization of highly strained germanium lasers in the future.

Structural-electrical coupling optimisation for radiating and scattering performances of active phased array antenna

NASA Astrophysics Data System (ADS)

Wang, Congsi; Wang, Yan; Wang, Zhihai; Wang, Meng; Yuan, Shuai; Wang, Weifeng

2018-04-01

It is well known that calculating and reducing of radar cross section (RCS) of the active phased array antenna (APAA) are both difficult and complicated. It remains unresolved to balance the performance of the radiating and scattering when the RCS is reduced. Therefore, this paper develops a structure and scattering array factor coupling model of APAA based on the phase errors of radiated elements generated by structural distortion and installation error of the array. To obtain the optimal radiating and scattering performance, an integrated optimisation model is built to optimise the installation height of all the radiated elements in normal direction of the array, in which the particle swarm optimisation method is adopted and the gain loss and scattering array factor are selected as the fitness function. The simulation indicates that the proposed coupling model and integrated optimisation method can effectively decrease the RCS and that the necessary radiating performance can be simultaneously guaranteed, which demonstrate an important application value in engineering design and structural evaluation of APAA.

Subunit architecture and functional modular rearrangements of the transcriptional mediator complex.

PubMed

Tsai, Kuang-Lei; Tomomori-Sato, Chieri; Sato, Shigeo; Conaway, Ronald C; Conaway, Joan W; Asturias, Francisco J

2014-06-05

The multisubunit Mediator, comprising ∼30 distinct proteins, plays an essential role in gene expression regulation by acting as a bridge between DNA-binding transcription factors and the RNA polymerase II (RNAPII) transcription machinery. Efforts to uncover the Mediator mechanism have been hindered by a poor understanding of its structure, subunit organization, and conformational rearrangements. By overcoming biochemical and image analysis hurdles, we obtained accurate EM structures of yeast and human Mediators. Subunit localization experiments, docking of partial X-ray structures, and biochemical analyses resulted in comprehensive mapping of yeast Mediator subunits and a complete reinterpretation of our previous Mediator organization model. Large-scale Mediator rearrangements depend on changes at the interfaces between previously described Mediator modules, which appear to be facilitated by factors conducive to transcription initiation. Conservation across eukaryotes of Mediator structure, subunit organization, and RNA polymerase II interaction suggest conservation of fundamental aspects of the Mediator mechanism. Copyright © 2014 Elsevier Inc. All rights reserved.

Spirituality as a Scientific Construct: Testing Its Universality across Cultures and Languages

PubMed Central

MacDonald, Douglas A.; Friedman, Harris L.; Brewczynski, Jacek; Holland, Daniel; Salagame, Kiran Kumar K.; Mohan, K. Krishna; Gubrij, Zuzana Ondriasova; Cheong, Hye Wook

2015-01-01

Using data obtained from 4004 participants across eight countries (Canada, India, Japan, Korea, Poland, Slovakia, Uganda, and the U.S.), the factorial reliability, validity and structural/measurement invariance of a 30-item version of Expressions of Spirituality Inventory (ESI-R) was evaluated. The ESI-R measures a five factor model of spirituality developed through the conjoint factor analysis of several extant measures of spiritual constructs. Exploratory factor analyses of pooled data provided evidence that the five ESI-R factors are reliable. Confirmatory analyses comparing four and five factor models revealed that the five dimensional model demonstrates superior goodness-of-fit with all cultural samples and suggest that the ESI-R may be viewed as structurally invariant. Measurement invariance, however, was not supported as manifested in significant differences in item and dimension scores and in significantly poorer fit when factor loadings were constrained to equality across all samples. Exploratory analyses with a second adjective measure of spirituality using American, Indian, and Ugandan samples identified three replicable factors which correlated with ESI-R dimensions in a manner supportive of convergent validity. The paper concludes with a discussion of the meaning of the findings and directions needed for future research. PMID:25734921

Off-forward gluonic structure of vector mesons

NASA Astrophysics Data System (ADS)

Detmold, W.; Pefkou, D.; Shanahan, P. E.

2017-06-01

The spin-independent and transversity generalized form factors (GFFs) of the ϕ meson are studied using lattice QCD calculations with light quark masses corresponding to a pion mass mπ˜450 (5 ) MeV . One transversity and three spin-independent GFFs related to the lowest moments of leading-twist spin-independent and transversity gluon distributions are obtained at six nonzero values of the momentum transfer up to 1.2 GeV 2 . These quantities are compared with the analogous spin-independent quark GFFs and the electromagnetic form factors determined on the same lattice ensemble. The results show quantitative distinction between the spatial distribution of transversely polarized gluons, unpolarized gluons, and quarks and point the way towards further investigations of the gluon structure of nucleons and nuclei.

Response Surface Methodology for Design of Porous Hollow Sphere Thermal Insulator

NASA Astrophysics Data System (ADS)

Shohani, Nazanin; Pourmahdian, Saeed; Shirkavand Hadavand, Behzad

2017-11-01

In this study, response surface method is used for synthesizing polystyrene (PS) as sacrificial templates and optimizing the particle size. Three factors of initiator, stabilizer concentration and also stirring rate were selected as variable factors. Then, three different concentration of tetraethyl orthosilicate (TEOS) added to reaction media and core-shell structure with PS core and silica shell was developed. Finally, core-shell structure was changed to hollow silica sphere for using as thermal insulator. We observed that increased initiator concentration caused to larger PS particles, increase the stirring rate caused the smaller PS and also with increased the stabilizer concentration obtained that particle size decrease then after 2.5% began to increase. Also the optimum amount of TEOS was found.

Electronic and thermoelectric analysis of phases in the In 2O 3(ZnO) k system

DOE PAGES

Hopper, E. Mitchell; Zhu, Qimin; Song, Jung-Hwan; ...

2011-01-01

The high-temperature electrical conductivity and thermopower of several compounds in the In 2O 3(ZnO) k system (k = 3, 5, 7, and 9) were measured, and the band structures of the k = 1, 2, and 3 structures were predicted based on first-principles calculations. These phases exhibit highly dispersed conduction bands consistent with transparent conducting oxide behavior. Jonker plots (Seebeck coefficient vs. natural logarithm of conductivity) were used to obtain the product of the density of states and mobility for these phases, which were related to the maximum achievable power factor (thermopower squared times conductivity) for each phase by Ioffemore » analysis (maximum power factor vs. Jonker plot intercept). With the exception of the k = 9 phase, all other phases were found to have maximum predicted power factors comparable to other thermoelectric oxides if suitably doped.« less

Spanish version of the Thought-Action Fusion Questionnaire and its application in eating disorders.

PubMed

Jáuregui-Lobera, I; Santed-Germán, Ma; Bolaños-Ríos, P; Garrido-Casals, O

2013-01-01

The aims of the study were to analyze the psychometric properties of the Spanish version of the Thought-Action Fusion Questionnaire (TAF-SP), as well as to determine its validity by evaluating the relationship of the TAF-SP to different instruments. TWO GROUPS WERE STUDIED: one comprising 146 patients with eating disorders; and another a group of 200 students. THREE FACTORS WERE OBTAINED: TAF-Moral; TAF-Likelihood-others; and TAF-Likelihood-oneself. The internal consistency of the TAF-SP was determined by means of Cronbach's α coefficient, with values ranging between 0.84-0.95. The correlations with other instruments refected adequate validity. The three-factor structure was tested by means of a linear structural equation model, and the structure fit satisfactorily. Differences in TAF-SP scores between the diagnostic subgroups were also analyzed. The TAF-SP meets the psychometric requirements for measuring thought-action fusion and shows adequate internal consistency and validity.

Structure-mechanism-based engineering of chemical regulators targeting distinct pathological factors in Alzheimer's disease

NASA Astrophysics Data System (ADS)

Beck, Michael W.; Derrick, Jeffrey S.; Kerr, Richard A.; Oh, Shin Bi; Cho, Woo Jong; Lee, Shin Jung C.; Ji, Yonghwan; Han, Jiyeon; Tehrani, Zahra Aliakbar; Suh, Nayoung; Kim, Sujeong; Larsen, Scott D.; Kim, Kwang S.; Lee, Joo-Yong; Ruotolo, Brandon T.; Lim, Mi Hee

2016-10-01

The absence of effective therapeutics against Alzheimer's disease (AD) is a result of the limited understanding of its multifaceted aetiology. Because of the lack of chemical tools to identify pathological factors, investigations into AD pathogenesis have also been insubstantial. Here we report chemical regulators that demonstrate distinct specificity towards targets linked to AD pathology, including metals, amyloid-β (Aβ), metal-Aβ, reactive oxygen species, and free organic radicals. We obtained these chemical regulators through a rational structure-mechanism-based design strategy. We performed structural variations of small molecules for fine-tuning their electronic properties, such as ionization potentials and mechanistic pathways for reactivity towards different targets. We established in vitro and/or in vivo efficacies of the regulators for modulating their targets' reactivities, ameliorating toxicity, reducing amyloid pathology, and improving cognitive deficits. Our chemical tools show promise for deciphering AD pathogenesis and discovering effective drugs.

Person-Centered Care Practices in Long-Term Care in the Deep South: Consideration of Structural, Market, and Administrator Characteristics.

PubMed

Jacobs, M Lindsey; Snow, A Lynn; Parmelee, Patricia A; Davis, Jullet A

2018-03-01

The purpose of this study was to identify structural, market, and administrator factors of nursing homes that are related to the implementation of person-centered care. Administrators of Medicare/Medicaid-certified nursing homes in the Deep South were invited to complete a standardized survey about their facility and their perceptions and attitudes regarding person-centered care practices (PCCPs). Nursing home structural and market factors were obtained from public websites, and these data were matched with administrator data. Consistent with the resource-based theory of competitive advantage, nursing homes with greater resources and more competition were more likely to implement PCCPs. Implementation of person-centered care was also higher in nursing homes with administrators who perceived culture change implementation to be feasible in their facilities. Given that there is a link between resource availability and adoption of person-centered care, future research should investigate the cost of such innovations.

Structure-mechanism-based engineering of chemical regulators targeting distinct pathological factors in Alzheimer's disease.

PubMed

Beck, Michael W; Derrick, Jeffrey S; Kerr, Richard A; Oh, Shin Bi; Cho, Woo Jong; Lee, Shin Jung C; Ji, Yonghwan; Han, Jiyeon; Tehrani, Zahra Aliakbar; Suh, Nayoung; Kim, Sujeong; Larsen, Scott D; Kim, Kwang S; Lee, Joo-Yong; Ruotolo, Brandon T; Lim, Mi Hee

2016-10-13

The absence of effective therapeutics against Alzheimer's disease (AD) is a result of the limited understanding of its multifaceted aetiology. Because of the lack of chemical tools to identify pathological factors, investigations into AD pathogenesis have also been insubstantial. Here we report chemical regulators that demonstrate distinct specificity towards targets linked to AD pathology, including metals, amyloid-β (Aβ), metal-Aβ, reactive oxygen species, and free organic radicals. We obtained these chemical regulators through a rational structure-mechanism-based design strategy. We performed structural variations of small molecules for fine-tuning their electronic properties, such as ionization potentials and mechanistic pathways for reactivity towards different targets. We established in vitro and/or in vivo efficacies of the regulators for modulating their targets' reactivities, ameliorating toxicity, reducing amyloid pathology, and improving cognitive deficits. Our chemical tools show promise for deciphering AD pathogenesis and discovering effective drugs.

Organic/Inorganic Hybrid p-n Junction with PEDOT Nanoparticles for Light-Emitting Diode

NASA Astrophysics Data System (ADS)

Kim, M. S.; Jin, S. M.; Cho, M. Y.; Choi, H. Y.; Kim, G. S.; Jeon, S. M.; Yim, K. G.; Kim, H. G.; Shim, K. B.; Kang, B. K.; Kim, Y.; Lee, D. Y.; Kim, J. S.; Kim, J. S.; Leem, J. Y.

2011-12-01

A heavily Si-doped GaN/polymer hybrid structure with p-type poly(3,4-ethylene-dioxythiophene):beta-1,3-glucan (PEDOT nanoparticle) interface layer has been fabricated. The Si-doped GaN thin film with carrier concentration of 1×1019 cm-3 was grown by metal-organic chemical vapor deposition (MOCVD). The PEDOT nanoparticle with various sizes ranging from 60 to 120 nm was synthesized via a miniemulsion polymerization process. The electrical conductivity of the PEDOT nanoparticle is less than 1.2 S/cm. The current-voltage (I-V) characteristic of the hybrid structure shows diode-like behavior. The I-V characteristic was examined in the framework of the thermionic emission model. The ideality factor and barrier height of the hybrid structure were obtained as 5.6 and 0.41 eV, respectively. The value of ideality factor is decreased by inserting the PEDOT nanoparticle interface layer.

Coordination number constraint models for hydrogenated amorphous Si deposited by catalytic chemical vapour deposition

NASA Astrophysics Data System (ADS)

Kawahara, Toshio; Tabuchi, Norikazu; Arai, Takashi; Sato, Yoshikazu; Morimoto, Jun; Matsumura, Hideki

2005-02-01

We measured structure factors of hydrogenated amorphous Si by x-ray diffraction and analysed the obtained structures using a reverse Monte Carlo (RMC) technique. A small shoulder in the measured structure factor S(Q) was observed on the larger Q side of the first peak. The RMC results with an unconstrained model did not clearly show the small shoulder. Adding constraints for coordination numbers 2 and 3, the small shoulder was reproduced and the agreement with the experimental data became better. The ratio of the constrained coordination numbers was consistent with the ratio of Si-H and Si-H2 bonds which was estimated by the Fourier transformed infrared spectra of the same sample. This shoulder and the oscillation of the corresponding pair distribution function g(r) at large r seem to be related to the low randomness of cat-CVD deposited a-Si:H.

Structural fabrication quality as a factor of industrial facilities safety

NASA Astrophysics Data System (ADS)

Tishkov, E. V.; Kardaev, E. M.; Stolbova, S. Yu; Shishova, O. S.

2018-04-01

In the conditions of industrial facilities high wear degree, it is very important to ensure the possibility of their safe operation in order to avoid various kinds of accidents and catastrophes. As practice shows, industrial plant collapses can occur suddenly under normal operating conditions. Usually, such accidents can take place at different stages of structures life cycle. One of the reasons for this is the initially low quality of reinforced concrete structures fabrication. The article considers the factors contributing to the collapse of reinforced concrete structures of water purification tanks located on the territory of the Omsk Region. The main surveys results on tank structures after collapse with the use of ultrasonic and physical methods of investigation are presented. On the basis of the obtained data analysis, it was found that the main cause of the accidents was the insufficient load-bearing capacity of typical reinforced concrete structures, caused by defects in their fabrication in the factory conditions because of exceeding the standard displacement from the design position of the working reinforcement. Recommendations are given on the identification of defective structures and the prevention of similar accidents when operating similar tanks at manufacturing plants constructed from standard designs.

Solution structure of a DNA mimicking motif of an RNA aptamer against transcription factor AML1 Runt domain.

PubMed

Nomura, Yusuke; Tanaka, Yoichiro; Fukunaga, Jun-ichi; Fujiwara, Kazuya; Chiba, Manabu; Iibuchi, Hiroaki; Tanaka, Taku; Nakamura, Yoshikazu; Kawai, Gota; Kozu, Tomoko; Sakamoto, Taiichi

2013-12-01

AML1/RUNX1 is an essential transcription factor involved in the differentiation of hematopoietic cells. AML1 binds to the Runt-binding double-stranded DNA element (RDE) of target genes through its N-terminal Runt domain. In a previous study, we obtained RNA aptamers against the AML1 Runt domain by systematic evolution of ligands by exponential enrichment and revealed that RNA aptamers exhibit higher affinity for the Runt domain than that for RDE and possess the 5'-GCGMGNN-3' and 5'-N'N'CCAC-3' conserved motif (M: A or C; N and N' form Watson-Crick base pairs) that is important for Runt domain binding. In this study, to understand the structural basis of recognition of the Runt domain by the aptamer motif, the solution structure of a 22-mer RNA was determined using nuclear magnetic resonance. The motif contains the AH(+)-C mismatch and base triple and adopts an unusual backbone structure. Structural analysis of the aptamer motif indicated that the aptamer binds to the Runt domain by mimicking the RDE sequence and structure. Our data should enhance the understanding of the structural basis of DNA mimicry by RNA molecules.

What are the Dominant Factors of Students’ Productive Skills in Construction Services?

NASA Astrophysics Data System (ADS)

Oroh, R. R.; S, Haris A.; Sugandi, R. M.; Isnandar

2018-02-01

The purpose of this study to determine the dominant factors of students’ productive skills in doing the work of concrete structures that fit the needs of construction services. Sample of the respondents is vocational high school students from several districts and cities in North Sulawesi, Indonesia. Data are obtained through the performance test instruments of student. Whereas, data analysis is performed using factor analysis. The result of this research show the dominant factors of the students’ productive skills in doing the work of concrete structures that is according to the need of construction services, namely: (a) factor the working of concrete casting consists of making scaffolding from good materials and conducting concrete casting according to working method; and (b) factor the working of concrete reinforcing consists of read the working drawings for concrete reinforcement and make the concrete formwork from good material. Some of the respondent’s students in doing some concrete structure work have done well, but not yet according to working drawings, working methods and technical specifications of the work. The learning is done in accordance with the competency-oriented school curriculum but the teaching materials given have not been maximized in accordance with the needs of productive skills required construction services industry. The results have an impact on the low absorption of graduates in the implementation of the construction services industry.

Intelligent seismic risk mitigation system on structure building

NASA Astrophysics Data System (ADS)

Suryanita, R.; Maizir, H.; Yuniorto, E.; Jingga, H.

2018-01-01

Indonesia located on the Pacific Ring of Fire, is one of the highest-risk seismic zone in the world. The strong ground motion might cause catastrophic collapse of the building which leads to casualties and property damages. Therefore, it is imperative to properly design the structural response of building against seismic hazard. Seismic-resistant building design process requires structural analysis to be performed to obtain the necessary building responses. However, the structural analysis could be very difficult and time consuming. This study aims to predict the structural response includes displacement, velocity, and acceleration of multi-storey building with the fixed floor plan using Artificial Neural Network (ANN) method based on the 2010 Indonesian seismic hazard map. By varying the building height, soil condition, and seismic location in 47 cities in Indonesia, 6345 data sets were obtained and fed into the ANN model for the learning process. The trained ANN can predict the displacement, velocity, and acceleration responses with up to 96% of predicted rate. The trained ANN architecture and weight factors were later used to build a simple tool in Visual Basic program which possesses the features for prediction of structural response as mentioned previously.

A perspective on the complexity of dietary fiber structures and their potential effect on the gut microbiota.

PubMed

Hamaker, Bruce R; Tuncil, Yunus E

2014-11-25

Even though there are many factors that determine the human colon microbiota composition, diet is an important one because most microorganisms in the colon obtain energy for their growth by degrading complex dietary compounds, particularly dietary fibers. While fiber carbohydrates that escape digestion in the upper gastrointestinal tract are recognized to have a range of structures, the vastness in number of chemical structures from the perspective of the bacteria is not well appreciated. In this article, we introduce the concept of "discrete structure" that is defined as a unique chemical structure, often within a fiber molecule, which aligns with encoded gene clusters in bacterial genomes. The multitude of discrete structures originates from the array of different fiber types coupled with structural variations within types due to genotype and growing environment, anatomical parts of the grain or plant, discrete regions within polymers, and size of oligosaccharides and small polysaccharides. These thousands of discrete structures conceivably could be used to favor bacteria in the competitive colon environment. A global framework needs to be developed to better understand how dietary fibers can be used to obtain predicted changes in microbiota composition for improved health. This will require a multi-disciplinary effort that includes biological scientists, clinicians, and carbohydrate specialists. Copyright © 2014 Elsevier Ltd. All rights reserved.

Factor structure of parent and teacher ratings of the ODD symptoms for Malaysian primary school children.

PubMed

Gomez, Rapson

2017-02-01

This present study used confirmatory factor analysis (CFA) to examine the applicability of one-, two- three- and second order Oppositional Defiant Disorder (ODD) factor models, proposed in previous studies, in a group of Malaysian primary school children. These models were primarily based on parent reports. In the current study, parent and teacher ratings of the ODD symptoms were obtained for 934 children. For both groups of respondents, the findings showing some support for all models examined, with most support for a second order model with Burke et al. (2010) three factors (oppositional, antagonistic, and negative affect) as the primary factors. The diagnostic implications of the findings are discussed. Copyright © 2016 Elsevier B.V. All rights reserved.

Risk Factors for Incident Chronic Insomnia: A General Population Prospective Study

PubMed Central

Singareddy, Ravi; Vgontzas, Alexandros N.; Fernandez-Mendoza, Julio; Liao, Duanping; Calhoun, Susan; Shaffer, Michele L.; Bixler, Edward O.

2012-01-01

Objective The few population-based, prospective studies that have examined risk factors of incident insomnia were limited by small sample size, short follow-up, and lack of data on medical disorders or polysomnography. We prospectively examined the associations between demographics, behavioral factors, psychiatric and medical disorders, and polysomnography with incident chronic insomnia. Methods From a random, general population sample of 1741 individuals of the adult Penn State Sleep Cohort, 1395 were followed-up after 7.5 years. Only subjects without chronic insomnia at baseline (n=1246) were included in this study. Structured medical and psychiatric history, personality testing, and 8-hour polysomnography were obtained at baseline. Structured sleep history was obtained at baseline and follow-up. Results Incidence of chronic insomnia was 9.3%, with a higher incidence in women (12.9%) than in men (6.2%). Younger age (20–35 years), non-white ethnicity, and obesity increased the risk of chronic insomnia. Poor sleep and mental health were stronger predictors of incident chronic insomnia compared to physical health. Higher scores in MMPI-2, indicating maladaptive personality traits, and excessive use of coffee at baseline predicted incident chronic insomnia. Polysomnographic variables, such as short sleep duration or sleep apnea, did not predict incident chronic insomnia. Conclusion Mental health, poor sleep, and obesity, but not sleep apnea, are significant risk factors for incident chronic insomnia. Focusing on these more vulnerable groups and addressing the modifiable risk factors may help reduce the incident of chronic insomnia, a common and chronic sleep disorder associated with significant medical and psychiatric morbidity and mortality. PMID:22425576

The PROMIS fatigue item bank has good measurement properties in patients with fibromyalgia and severe fatigue.

PubMed

Yost, Kathleen J; Waller, Niels G; Lee, Minji K; Vincent, Ann

2017-06-01

Efficient management of fibromyalgia (FM) requires precise measurement of FM-specific symptoms. Our objective was to assess the measurement properties of the Patient-Reported Outcome Measurement Information System (PROMIS) fatigue item bank (FIB) in people with FM. We applied classical psychometric and item response theory methods to cross-sectional PROMIS-FIB data from two samples. Data on the clinical FM sample were obtained at a tertiary medical center. Data for the U.S. general population sample were obtained from the PROMIS network. The full 95-item bank was administered to both samples. We investigated dimensionality of the item bank in both samples by separately fitting a bifactor model with two group factors; experience and impact. We assessed measurement invariance between samples, and we explored an alternate factor structure with the normative sample and subsequently confirmed that structure in the clinical sample. Finally, we assessed whether reporting FM subdomain scores added value over reporting a single total score. The item bank was dominated by a general fatigue factor. The fit of the initial bifactor model and evidence of measurement invariance indicated that the same constructs were measured across the samples. An alternative bifactor model with three group factors demonstrated slightly improved fit. Subdomain scores add value over a total score. We demonstrated that the PROMIS-FIB is appropriate for measuring fatigue in clinical samples of FM patients. The construct can be presented by a single score; however, subdomain scores for the three group factors identified in the alternative model may also be reported.

What predicts nurse faculty members' intent to stay in the academic organization? A structural equation model of a national survey of nursing faculty.

PubMed

Candela, Lori; Gutierrez, Antonio P; Keating, Sarah

2015-04-01

To investigate the relations among several factors regarding the academic context within a nationally representative sample of U.S. nursing faculty. Correlational design using structural equation modeling to explore the predictive nature of several factors related to the academic organization and the work life of nursing faculty. A survey was used to evaluate several aspects of the work life of U.S. nursing faculty members. Nursing faculty members in academic organizations across the U.S. serving at either CCNE- or NLNAC-accredited institutions of higher education. Standard confirmatory factor analysis was used to assess the validity of a proposed measurement model, and structural equation modeling was used to evaluate the validity of a structural/latent variable model. Several direct and indirect effects were observed among the factors under investigation. Of special importance, perceptions of nurse administration's support and perceived teaching expertise positively predicted U.S. nursing faculty members' intent to stay in the academic organization. Understanding the way that nursing faculty members' perceptions of the various factors common to the academic context interact with intent to stay in the academic organization is essential for faculty and nursing administrators. This information can assist administrators in obtaining more resources for faculty development to lobby for additional faculty in order to meet the teaching, research, and service missions of the organization; and to personalize relationships with individual faculty members to understand their needs and acknowledge their efforts. Published by Elsevier Ltd.

Low-Dimensional Network Formation in Molten Sodium Carbonate

PubMed Central

Wilding, Martin C.; Wilson, Mark; Alderman, Oliver L. G.; Benmore, Chris; Weber, J. K. R.; Parise, John B.; Tamalonis, Anthony; Skinner, Lawrie

2016-01-01

Molten carbonates are highly inviscid liquids characterized by low melting points and high solubility of rare earth elements and volatile molecules. An understanding of the structure and related properties of these intriguing liquids has been limited to date. We report the results of a study of molten sodium carbonate (Na2CO3) which combines high energy X-ray diffraction, containerless techniques and computer simulation to provide insight into the liquid structure. Total structure factors (Fx(Q)) are collected on the laser-heated carbonate spheres suspended in flowing gases of varying composition in an aerodynamic levitation furnace. The respective partial structure factor contributions to Fx(Q) are obtained by performing molecular dynamics simulations treating the carbonate anions as flexible entities. The carbonate liquid structure is found to be heavily temperature-dependent. At low temperatures a low-dimensional carbonate chain network forms, at T = 1100 K for example ~55% of the C atoms form part of a chain. The mean chain lengths decrease as temperature is increased and as the chains become shorter the rotation of the carbonate anions becomes more rapid enhancing the diffusion of Na+ ions. PMID:27080401

Medial temporal lobe structure and cognition in individuals with schizophrenia and in their non-psychotic siblings.

PubMed

Karnik-Henry, Meghana S; Wang, Lei; Barch, Deanna M; Harms, Michael P; Campanella, Carolina; Csernansky, John G

2012-07-01

Medial temporal lobe (MTL) structures play a central role in episodic memory. Prior studies suggest that individuals with schizophrenia have deficits in episodic memory as well as structural abnormalities of the medial temporal lobe (MTL). While correlations have been reported between MTL volume loss and episodic memory deficits in such individuals, it is not clear whether such correlations reflect the influence of the disease state or of underlying genetic influences that might contribute to risk. We used high resolution magnetic resonance imaging and probabilistic algorithms for image analysis to determine whether MTL structure, episodic memory performance and the relationship between the two differed among groups of 47 healthy control subjects, 50 control siblings, 39 schizophrenia subjects, and 33 siblings of schizophrenia subjects. High-dimensional large deformation brain mapping was used to obtain volume measures of the hippocampus. Cortical distance mapping was used to obtain volume and thickness measures of the parahippocampal gyrus (PHG) and its substructures: the entorhinal cortex (ERC), the perirhinal cortex (PRC), and the parahippocampal cortex (PHC). Neuropsychological data was used to establish an episodic memory domain score for each subject. Both schizophrenia subjects and their siblings displayed abnormalities in episodic memory performance. Siblings of individuals with schizophrenia, and to a lesser extent, individuals with schizophrenia themselves, displayed abnormalities in measures of MTL structure (volume loss or cortical thinning) as compared to control groups. Further, we observed correlations between structural measures and memory performance in both schizophrenia subjects and their siblings, but not in their respective control groups. These findings suggest that disease-specific genetic factors present in both patients and their relatives may be responsible for correlated abnormalities of MTL structure and memory impairment. The observed attenuated effect of such factors on MTL structure in individuals with schizophrenia may be due to non-genetic influences related to the development and progression of the disease on global brain structure and cognitive processing. Copyright © 2012 Elsevier B.V. All rights reserved.

A symptom self-rating scale for schizophrenia (4S): psychometric properties, reliability and validity.

PubMed

Lindström, Eva; Jedenius, Erik; Levander, Sten

2009-01-01

The objective of the study was to validate a self-administrated symptom rating scale for use in patients with schizophrenia spectrum disorders by item analysis, exploration of factor structure, and analyses of reliability and validity. Data on 151 patients, initially treated by risperidone, obtained within the framework of a naturalistic Phase IV longitudinal study, were analysed by comparing patient and clinician ratings of symptoms, side-effects and global indices of illness. The Symptom Self-rating Scale for Schizophrenia (4S) is psychometrically adequate (item analysis, internal consistency, factor structure). Side-effect ratings were reliable. Symptom ratings displayed consistent associations with clinicians' ratings of corresponding symptom dimensions, suggesting construct validity. Patients had most difficulties assessing negative symptom items. Patients were well able to assess their own symptoms and drug side-effects. The factor structure of symptom ratings differs between patients and clinicians as well as how they construe global indices of illness. Clinicians focus on psychotic, patients on affective symptoms. Use of symptom self-ratings is one way to improve communication and thereby strengthen the therapeutic alliance and increase treatment adherence.

Measurement invariance of the strength of motivation for medical school: a multi-group confirmatory factor analysis.

PubMed

An, M; Kusurkar, R A; Li, L; Xiao, Y; Zheng, C; Hu, J; Chen, M

2017-07-11

The Strength of Motivation for Medical School-Revised (SMMS-R) questionnaire measures students' motivation for studying medicine. It includes three subscales: 'willingness to sacrifice', 'readiness to start', and 'persistence'. Measurement invariance is a prerequisite for group comparisons. The objectives of this study were to verify the factorial structure of the SMMS-R questionnaire and to investigate it's measurement invariance. A total of 989 medical students were approached, 930 cases were kept for data analysis. Factorial structure of and measurement invariance of the SMMS-R were tested using single and multiple group confirmatory factor analyses with Mplus. Trational Cronbach's α along with McDonald's ω and glb were used to measure internal consistency for each subscale. Internal consistency for subscales and the full instrument were within the acceptable range. A 3-factor structure of the Chinese version of the SMMS-R was supported. Full configural, metric and partial scalar invariance were obtained. The SMMS-R showed measurement invariance across gender and two independent samples. So it can be used for group and cross-cultural comparisons.

Factor structure of the Childhood Autism Rating Scale as per DSM-5.

PubMed

Park, Eun-Young; Kim, Joungmin

2016-02-01

The DSM-5 recently proposed new diagnostic criteria for autism spectrum disorder (ASD). Although many new or updated tools have been developed since the DSM-IV was published in 1994, the Childhood Autism Rating Scale (CARS) has been used consistently in ASD diagnosis and research due to its technical adequacy, cost-effectiveness, and practicality. Additionally, items in the CARS did not alter following the release of the revised DSM-IV because the CARS factor structure was found to be consistent with the revised criteria after factor analysis. For that reason, in this study confirmatory factor analysis was used to identify the factor structure of the CARS. Participants (n = 150) consisted of children with an ASD diagnosis or who met the criteria for broader autism or emotional/behavior disorder with comorbid disorders such as attention-deficit hyperactivity disorder, bipolar disorder, intellectual or developmental disabilities. Previous studies used one-, two-, and four-factor models, all of which we examined to confirm the best-fit model on confirmatory factor analysis. Appropriate comparative fit indices and root mean square errors were obtained for all four models. The two-factor model, based on DSM-5 criteria, was the most valid and reliable. The inter-item consistency of the CARS was 0.926 and demonstrated adequate reliability, thereby supporting the validity and reliability of the two-factor model of CARS. Although CARS was developed prior to the introduction of DSM-5, its psychometric properties, conceptual relevance, and flexible administration procedures support its continued role as a screening device in the diagnostic decision-making process. © 2015 Japan Pediatric Society.

Investigation of the factor structure of spirituality and religiosity in Iranian Shiite university students.

PubMed

Joshanloo, Mohsen

2012-01-01

One of the important challenges facing psychologists of religion pertains to the definition of religiosity and spirituality. One way of understanding the connection between these two concepts is to suppose that one of them is a subset of the other. Another useful and sensitive way, however, is to view spirituality and religiosity as overlapping constructs, sharing some characteristics but also retaining nonshared features. Empirical studies examining the factor structure of spirituality and religiosity are scant and almost all of them come from Western culture. These factor analytic studies generally confirm that religiosity and spirituality can best be described in terms of two distinct yet correlated factors. To date, no study has investigated the relationship between these two constructs in Islamic cultures. To redress this imbalance, confirmatory factor analysis was used to examine the factor structure of religiosity and spirituality in two Iranian Shiite samples using an extensive set of scales (including Santa Clara Strength of Religious Faith, Spiritual Involvement and Beliefs Scale - Revised, Spiritual Meaning Scale, and Spiritual Transcendence Scale). Two hypothetical models were tested: a model that viewed spirituality and religiosity as correlated but separate constructs and a model that combined the indicators of religiosity and spirituality into a single construct. In keeping with the results obtained in Western cultures, results of confirmatory factor analyses, conducted in Study 1 (N=225) and Study 2 (N=288), revealed that a two-factor model fitted the data better than a single-factor model. Implications of the results are discussed, as are study limitations and directions for further research.

Semi-classical Reissner-Nordstrom model for the structure of charged leptons

NASA Technical Reports Server (NTRS)

Rosen, G.

1980-01-01

The lepton self-mass problem is examined within the framework of the quantum theory of electromagnetism and gravity. Consideration is given to the Reissner-Nordstrom solution to the Einstein-Maxwell classical field equations for an electrically charged mass point, and the WKB theory for a semiclassical system with total energy zero is used to obtain an expression for the Einstein-Maxwell action factor. The condition obtained is found to account for the observed mass values of the three charged leptons, and to be in agreement with the correspondence principle.

Low-momentum dynamic structure factor of a strongly interacting Fermi gas at finite temperature: A two-fluid hydrodynamic description

NASA Astrophysics Data System (ADS)

Hu, Hui; Zou, Peng; Liu, Xia-Ji

2018-02-01

We provide a description of the dynamic structure factor of a homogeneous unitary Fermi gas at low momentum and low frequency, based on the dissipative two-fluid hydrodynamic theory. The viscous relaxation time is estimated and is used to determine the regime where the hydrodynamic theory is applicable and to understand the nature of sound waves in the density response near the superfluid phase transition. By collecting the best knowledge on the shear viscosity and thermal conductivity known so far, we calculate the various diffusion coefficients and obtain the damping width of the (first and second) sounds. We find that the damping width of the first sound is greatly enhanced across the superfluid transition and very close to the transition the second sound might be resolved in the density response for the transferred momentum up to half of Fermi momentum. Our work is motivated by the recent measurement of the local dynamic structure factor at low momentum at Swinburne University of Technology and the ongoing experiment on sound attenuation of a homogeneous unitary Fermi gas at Massachusetts Institute of Technology. We discuss how the measurement of the velocity and damping width of the sound modes in low-momentum dynamic structure factor may lead to an improved determination of the universal superfluid density, shear viscosity, and thermal conductivity of a unitary Fermi gas.

Structure of the protein core of translation initiation factor 2 in apo, GTP-bound and GDP-bound forms

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

Simonetti, Angelita; Marzi, Stefano; Fabbretti, Attilio

2013-06-01

The crystal structures of the eubacterial translation initiation factor 2 in apo form and with bound GDP and GTP reveal conformational changes upon nucleotide binding and hydrolysis, notably of the catalytically important histidine in the switch II region. Translation initiation factor 2 (IF2) is involved in the early steps of bacterial protein synthesis. It promotes the stabilization of the initiator tRNA on the 30S initiation complex (IC) and triggers GTP hydrolysis upon ribosomal subunit joining. While the structure of an archaeal homologue (a/eIF5B) is known, there are significant sequence and functional differences in eubacterial IF2, while the trimeric eukaryotic IF2more » is completely unrelated. Here, the crystal structure of the apo IF2 protein core from Thermus thermophilus has been determined by MAD phasing and the structures of GTP and GDP complexes were also obtained. The IF2–GTP complex was trapped by soaking with GTP in the cryoprotectant. The structures revealed conformational changes of the protein upon nucleotide binding, in particular in the P-loop region, which extend to the functionally relevant switch II region. The latter carries a catalytically important and conserved histidine residue which is observed in different conformations in the GTP and GDP complexes. Overall, this work provides the first crystal structure of a eubacterial IF2 and suggests that activation of GTP hydrolysis may occur by a conformational repositioning of the histidine residue.« less

Factor analysis for delineation of organ structures, creation of in- and output functions, and standardization of multicenter kinetic modeling

NASA Astrophysics Data System (ADS)

Schiepers, Christiaan; Hoh, Carl K.; Dahlbom, Magnus; Wu, Hsiao-Ming; Phelps, Michael E.

1999-05-01

PET imaging can quantify metabolic processes in-vivo; this requires the measurement of an input function which is invasive and labor intensive. A non-invasive, semi-automated, image based method of input function generation would be efficient, patient friendly, and allow quantitative PET to be applied routinely. A fully automated procedure would be ideal for studies across institutions. Factor analysis (FA) was applied as processing tool for definition of temporally changing structures in the field of view. FA has been proposed earlier, but the perceived mathematical difficulty has prevented widespread use. FA was utilized to delineate structures and extract blood and tissue time-activity-curves (TACs). These TACs were used as input and output functions for tracer kinetic modeling, the results of which were compared with those from an input function obtained with serial blood sampling. Dynamic image data of myocardial perfusion studies with N-13 ammonia, O-15 water, or Rb-82, cancer studies with F-18 FDG, and skeletal studies with F-18 fluoride were evaluated. Correlation coefficients of kinetic parameters obtained with factor and plasma input functions were high. Linear regression usually furnished a slope near unity. Processing time was 7 min/patient on an UltraSPARC. Conclusion: FA can non-invasively generate input functions from image data eliminating the need for blood sampling. Output (tissue) functions can be simultaneously generated. The method is simple, requires no sophisticated operator interaction and has little inter-operator variability. FA is well suited for studies across institutions and standardized evaluations.

Understanding Angiography-Based Aneurysm Flow Fields through Comparison with Computational Fluid Dynamics.

PubMed

Cebral, J R; Mut, F; Chung, B J; Spelle, L; Moret, J; van Nijnatten, F; Ruijters, D

2017-06-01

Hemodynamics is thought to be an important factor for aneurysm progression and rupture. Our aim was to evaluate whether flow fields reconstructed from dynamic angiography data can be used to realistically represent the main flow structures in intracranial aneurysms. DSA-based flow reconstructions, obtained during interventional treatment, were compared qualitatively with flow fields obtained from patient-specific computational fluid dynamics models and quantitatively with projections of the computational fluid dynamics fields (by computing a directional similarity of the vector fields) in 15 cerebral aneurysms. The average similarity between the DSA and the projected computational fluid dynamics flow fields was 78% in the parent artery, while it was only 30% in the aneurysm region. Qualitatively, both the DSA and projected computational fluid dynamics flow fields captured the location of the inflow jet, the main vortex structure, the intrasaccular flow split, and the main rotation direction in approximately 60% of the cases. Several factors affect the reconstruction of 2D flow fields from dynamic angiography sequences. The most important factors are the 3-dimensionality of the intrasaccular flow patterns and inflow jets, the alignment of the main vortex structure with the line of sight, the overlapping of surrounding vessels, and possibly frame rate undersampling. Flow visualization with DSA from >1 projection is required for understanding of the 3D intrasaccular flow patterns. Although these DSA-based flow quantification techniques do not capture swirling or secondary flows in the parent artery, they still provide a good representation of the mean axial flow and the corresponding flow rate. © 2017 by American Journal of Neuroradiology.

Characterising the latent structure and organisation of self-reported thoughts, feelings and behaviours in adolescents and young adults

PubMed Central

Neufeld, Sharon; Jones, Peter B.; Fonagy, Peter; Bullmore, Edward T.; Dolan, Raymond J.; Moutoussis, Michael; Toseeb, Umar; Goodyer, Ian M.

2017-01-01

Little is known about the underlying relationships between self-reported mental health items measuring both positive and negative emotional and behavioural symptoms at the population level in young people. Improved measurement of the full range of mental well-being and mental illness may aid in understanding the aetiological substrates underlying the development of both mental wellness as well as specific psychiatric diagnoses. A general population sample aged 14 to 24 years completed self-report questionnaires on anxiety, depression, psychotic-like symptoms, obsessionality and well-being. Exploratory and confirmatory factor models for categorical data and latent profile analyses were used to evaluate the structure of both mental wellness and illness items. First order, second order and bifactor structures were evaluated on 118 self-reported items obtained from 2228 participants. A bifactor solution was the best fitting latent variable model with one general latent factor termed ‘distress’ and five ‘distress independent’ specific factors defined as self-confidence, antisocial behaviour, worry, aberrant thinking, and mood. Next, six distinct subgroups were derived from a person-centred latent profile analysis of the factor scores. Finally, concurrent validity was assessed using information on hazardous behaviours (alcohol use, substance misuse, self-harm) and treatment for mental ill health: both discriminated between the latent traits and latent profile subgroups. The findings suggest a complex, multidimensional mental health structure in the youth population rather than the previously assumed first or second order factor structure. Additionally, the analysis revealed a low hazardous behaviour/low mental illness risk subgroup not previously described. Population sub-groups show greater validity over single variable factors in revealing mental illness risks. In conclusion, our findings indicate that the structure of self reported mental health is multidimensional in nature and uniquely finds improved prediction to mental illness risk within person-centred subgroups derived from the multidimensional latent traits. PMID:28403164

Characterising the latent structure and organisation of self-reported thoughts, feelings and behaviours in adolescents and young adults.

PubMed

St Clair, Michelle C; Neufeld, Sharon; Jones, Peter B; Fonagy, Peter; Bullmore, Edward T; Dolan, Raymond J; Moutoussis, Michael; Toseeb, Umar; Goodyer, Ian M

2017-01-01

Little is known about the underlying relationships between self-reported mental health items measuring both positive and negative emotional and behavioural symptoms at the population level in young people. Improved measurement of the full range of mental well-being and mental illness may aid in understanding the aetiological substrates underlying the development of both mental wellness as well as specific psychiatric diagnoses. A general population sample aged 14 to 24 years completed self-report questionnaires on anxiety, depression, psychotic-like symptoms, obsessionality and well-being. Exploratory and confirmatory factor models for categorical data and latent profile analyses were used to evaluate the structure of both mental wellness and illness items. First order, second order and bifactor structures were evaluated on 118 self-reported items obtained from 2228 participants. A bifactor solution was the best fitting latent variable model with one general latent factor termed 'distress' and five 'distress independent' specific factors defined as self-confidence, antisocial behaviour, worry, aberrant thinking, and mood. Next, six distinct subgroups were derived from a person-centred latent profile analysis of the factor scores. Finally, concurrent validity was assessed using information on hazardous behaviours (alcohol use, substance misuse, self-harm) and treatment for mental ill health: both discriminated between the latent traits and latent profile subgroups. The findings suggest a complex, multidimensional mental health structure in the youth population rather than the previously assumed first or second order factor structure. Additionally, the analysis revealed a low hazardous behaviour/low mental illness risk subgroup not previously described. Population sub-groups show greater validity over single variable factors in revealing mental illness risks. In conclusion, our findings indicate that the structure of self reported mental health is multidimensional in nature and uniquely finds improved prediction to mental illness risk within person-centred subgroups derived from the multidimensional latent traits.

Analysis of vestibular-balance symptoms according to symptom duration: dimensionality of the Vertigo Symptom Scale-short form.

PubMed

Kondo, Masaki; Kiyomizu, Kensuke; Goto, Fumiyuki; Kitahara, Tadashi; Imai, Takao; Hashimoto, Makoto; Shimogori, Hiroaki; Ikezono, Tetsuo; Nakayama, Meiho; Watanabe, Norio; Akechi, Tatsuo

2015-01-22

Dizziness or vertigo is associated with both vestibular-balance and psychological factors. A common assessment tool is the Vertigo Symptom Scale (VSS) -short form, which has two subscales: vestibular-balance and autonomic-anxiety. Despite frequent use, the factor structure of the VSS-short form has yet to be confirmed. Here, we clarified the factor structure of the VSS-short form, and assessed the validity and reliability of the Japanese version of this tool. We conducted a cross-sectional, multicenter, psychometric evaluation of patients with non-central dizziness or vertigo persisting for longer than 1 month. Participants completed the VSS-short form, the Dizziness Handicap Inventory, and the Hospital Anxiety and Depression Scale. They also completed the VSS-short form a second time 1-3 days later. The questionnaire was translated into Japanese and cross-culturally adapted. We conducted a confirmatory factor analysis followed by an exploratory factor analysis. Convergent and discriminant validity, internal consistency, and test-retest reliability were evaluated. The total sample and retest sample consisted of 159 and 79 participants, respectively. Model-fitting for a two-subscale structure in a confirmatory factor analysis was poor. An exploratory factor analysis produced a three-factor structure: long-duration vestibular-balance symptoms, short-duration vestibular-balance symptoms, and autonomic-anxiety symptoms. Regarding convergent and discriminant validity, all hypotheses were clearly supported. We obtained high Cronbach's α coefficients for the total score and subscales, ranging from 0.758 to 0.866. Total score and subscale interclass correlation coefficients for test-retest reliability were acceptable, ranging from 0.867 to 0.897. The VSS-short form has a three-factor structure that was cross-culturally well-matched with previous data from the VSS-long version. Thus, it was suggested that vestibular-balance symptoms can be analyzed separately according to symptom duration, which may reflect pathophysiological factors. The VSS-short form can be used to evaluate vestibular-balance symptoms and autonomic-anxiety symptoms, as well as the duration of vestibular-balance symptoms. Further research using the VSS-short form should be required in other languages and populations.

Reliability and Construct Validity of the Portuguese Version of the Psychological Capital Questionnaire.

PubMed

Antunes, Ana Cristina; Caetano, António; Pina E Cunha, Miguel

2017-06-01

The Psychological Capital Questionnaire (PCQ) is the most commonly used measure for assessing psychological capital in work settings. Although several studies confirmed its factorial validity, most validation studies only examined the four-factor structure preconized by Luthans, Youssef, and Avolio, not attending to empirical evidence on alternative factorial structures. The present study aimed to test the psychometric properties of the Portuguese version of the PCQ, by using two independent samples (NS1 = 542; NS2 = 115) of Portuguese employees. We conducted a series of confirmatory factor analyses and found that, unlike previous findings, a five-factor solution of the PCQ best fitted the data. The evidence obtained also supported the existence of a second-order factor, psychological capital. The coefficients of internal consistency, as measured by Cronbach's alpha, were adequate and test-retest reliability suggested that the PCQ presented a lower stability than personality factors. Convergent validity, assessed with average variance extracted, revealed problems in the optimism subscale. The discriminant validity of the PCQ was confirmed by its correlations with Positive and Negative Affect and Big Five personality factors. Hierarchical regression analyses showed that this measure has incremental validity over personality and affect when predicting job performance.

Response of two identical seven-story structures to the San Fernando earthquake of February 9, 1971

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

Freeman, S.A.; Honda, K.K.

1973-10-01

The results of the structural dynamic investigation of two sevenstory reinforced concrete frame structures are presented here. The structures are both Holiday Inn rnotor hotels that are essentially identical: one is locrted about 13 miles and the other about 26 miles from the epicenter of the February 9, 1971, San Fernando earthquake. Appreciable nonstructural damage as well as some structural damage was observed. Strong-motion seismic records were obtained for the roof, intermediate story, and ground floor of each structure. The analyses are based on data from the structural drawings, architectural drawings, photographs, engineering reports, and seisrnogram records obtained before, during,more » and after the San Fernando earthquake. Both structures experienced motion well beyond the limits of the building code design criteria. A change in fundamental period was observed for each structure after several seconds of response to the earthquake, which indicated nonlinear response. The analyses indicated that the elastic capacity of some structural members was exceeded. Idealized linear models were constructed to approximate response at various time segments. A method for approximating the nonlinear response of each structure is presented. The effects of nonstructural elements, yielding beams, and column capacities are illustrated. Comparisons of the two buildings are made for ductility factors, dynarnic response characteristics, and damage. Conclusions are drawn concerning the effects of the earthquake on the structures and the future capacities of the structures. (auth)« less

Understanding Learner Strengths and Weaknesses: Assessing Performance on an Integrated Writing Task

ERIC Educational Resources Information Center

Sawaki, Yasuyo; Quinlan, Thomas; Lee, Yong-Won

2013-01-01

The present study examined the factor structures across features of 446 examinees' responses to a writing task that integrates reading and listening modalities as well as reading and listening comprehension items of the TOEFL iBT[R] (Internet-based test). Both human and automated scores obtained for the integrated essays were utilized. Based on a…

Markov model of the loan portfolio dynamics considering influence of management and external economic factors

NASA Astrophysics Data System (ADS)

Bozhalkina, Yana; Timofeeva, Galina

2016-12-01

Mathematical model of loan portfolio in the form of a controlled Markov chain with discrete time is considered. It is assumed that coefficients of migration matrix depend on corrective actions and external factors. Corrective actions include process of receiving applications, interaction with existing solvent and insolvent clients. External factors are macroeconomic indicators, such as inflation and unemployment rates, exchange rates, consumer price indices, etc. Changes in corrective actions adjust the intensity of transitions in the migration matrix. The mathematical model for forecasting the credit portfolio structure taking into account a cumulative impact of internal and external changes is obtained.

Volunteer Functions Inventory: A systematic review.

PubMed

Chacón, Fernando; Gutiérrez, Gema; Sauto, Verónica; Vecina, María L; Pérez, Alfonso

2017-08-01

The objective of this research study was to conduct a systematic review of the research on volunteers using Clary et al.’s VFI (1998). A total of 48 research studies including 67 independent samples met eligibility criteria. The total sample of the studies analyzed ranged from 20375 to 21988 participants, depending on the motivation analyzed. The results show that the Values factor obtained the highest mean score, both overall and in each type of volunteering, whereas the lowest scores were for the Career and Enhancement factors. Studies conducted with samples with a mean age under 40 years obtain higher scores on Career and Understanding scales when compared to studies in older samples. The group of studies with less than 50% women yield higher mean scores on the Social scale than studies with more than 50% women in the sample. All the scales show reliability coefficients between .78 and .84. Only eight of the articles provide data on the reliability of the scale with a mean value of .90. Of the 26 studies that performed factor analysis, 18 confirmed the original structure of six factors.

A comprehensive study of g-factors, elastic, structural and electronic properties of III-V semiconductors using hybrid-density functional theory

NASA Astrophysics Data System (ADS)

Bastos, Carlos M. O.; Sabino, Fernando P.; Sipahi, Guilherme M.; Da Silva, Juarez L. F.

2018-02-01

Despite the large number of theoretical III-V semiconductor studies reported every year, our atomistic understanding is still limited. The limitations of the theoretical approaches to yield accurate structural and electronic properties on an equal footing, is due to the unphysical self-interaction problem that mainly affects the band gap and spin-orbit splitting (SOC) in semiconductors and, in particular, III-V systems with similar magnitude of the band gap and SOC. In this work, we report a consistent study of the structural and electronic properties of the III-V semiconductors by using the screening hybrid-density functional theory framework, by fitting the α parameters for 12 different III-V compounds, namely, AlN, AlP, AlAs, AlSb, GaN, GaP, GaAs, GaSb, InN, InP, InAs, and InSb, to minimize the deviation between the theoretical and experimental values of the band gap and SOC. Structural relaxation effects were also included. Except for AlP, whose α = 0.127, we obtained α values that ranged from 0.209 to 0.343, which deviate by less than 0.1 from the universal value of 0.25. Our results for the lattice parameter and elastic constants indicate that the fitting of α does not affect those structural parameters when compared with the HSE06 functional, where α = 0.25. Our analysis of the band structure based on the k ṡ p method shows that the effective masses are in agreement with the experimental values, which can be attributed to the simultaneous fitting of the band gap and SOC. Also, we estimate the values of g-factors, extracted directly from the band structure, which are close to experimental results, which indicate that the obtained band structure produced a realistic set of k ṡ p parameters.

Geometrical comparison of two protein structures using Wigner-D functions.

PubMed

Saberi Fathi, S M; White, Diana T; Tuszynski, Jack A

2014-10-01

In this article, we develop a quantitative comparison method for two arbitrary protein structures. This method uses a root-mean-square deviation characterization and employs a series expansion of the protein's shape function in terms of the Wigner-D functions to define a new criterion, which is called a "similarity value." We further demonstrate that the expansion coefficients for the shape function obtained with the help of the Wigner-D functions correspond to structure factors. Our method addresses the common problem of comparing two proteins with different numbers of atoms. We illustrate it with a worked example. © 2014 Wiley Periodicals, Inc.

Thomson scattering from a three-component plasma.

PubMed

Johnson, W R; Nilsen, J

2014-02-01

A model for a three-component plasma consisting of two distinct ionic species and electrons is developed and applied to study x-ray Thomson scattering. Ions of a specific type are assumed to be identical and are treated in the average-atom approximation. Given the plasma temperature and density, the model predicts mass densities, effective ionic charges, and cell volumes for each ionic type, together with the plasma chemical potential and free-electron density. Additionally, the average-atom treatment of individual ions provides a quantum-mechanical description of bound and continuum electrons. The model is used to obtain parameters needed to determine the dynamic structure factors for x-ray Thomson scattering from a three-component plasma. The contribution from inelastic scattering by free electrons is evaluated in the random-phase approximation. The contribution from inelastic scattering by bound electrons is evaluated using the bound-state and scattering wave functions obtained from the average-atom calculations. Finally, the partial static structure factors for elastic scattering by ions are evaluated using a two-component version of the Ornstein-Zernike equations with hypernetted chain closure, in which electron-ion interactions are accounted for using screened ion-ion interaction potentials. The model is used to predict the x-ray Thomson scattering spectrum from a CH plasma and the resulting spectrum is compared with experimental results obtained by Feltcher et al. [Phys. Plasmas 20, 056316 (2013)].

Highly efficient birefringent quarter-wave plate based on all-dielectric metasurface and graphene

NASA Astrophysics Data System (ADS)

Owiti, Edgar O.; Yang, Hanning; Liu, Peng; Ominde, Calvine F.; Sun, Xiudong

2018-07-01

All-dielectric metasurfaces offer remarkable properties including high efficiency and flexible control of the optical response. However, extreme, narrow bandwidth is a limitation that lowers applicability of these structures in photonic sensing applications. In this work, we numerically design and propose a switchable quarter-wave plate by hybridizing an all-dielectric metasurface with graphene. By using a single layer of graphene between a highly refractive index silicon and a silica substrate, the transmissive resonance is enhanced and broadened. Additionally, integrating graphene with silicon effectively modulates the Q-factor and the trapped magnetic modes in the silicon. A stable birefringence output is obtained and manipulated through the structure dimensions and the Fermi energy of graphene. A 95% polarization conversion ratio is achieved through converting linearly polarized light into circularly polarized light, and a 96% ellipticity ratio is obtained at the resonance wavelength. The structure is compact and has an ultrathin design thickness of 0 . 1 λ, in the telecommunication region. The above properties are essential for integration into photonic sensing devices and the structure has potential for compatibility with the CMOS devices.

Maximum Likelihood Factor Analysis of the Effects of Chronic Centrifugation on the Structural Development of the Musculoskeletal System of the Rat

NASA Technical Reports Server (NTRS)

Amtmann, E.; Kimura, T.; Oyama, J.; Doden, E.; Potulski, M.

1979-01-01

At the age of 30 days female Sprague-Dawley rats were placed on a 3.66 m radius centrifuge and subsequently exposed almost continuously for 810 days to either 2.76 or 4.15 G. An age-matched control group of rats was raised near the centrifuge facility at earth gravity. Three further control groups of rats were obtained from the animal colony and sacrificed at the age of 34, 72 and 102 days. A total of 16 variables were simultaneously factor analyzed by maximum-likelihood extraction routine and the factor loadings presented after-rotation to simple structure by a varimax rotation routine. The variables include the G-load, age, body mass, femoral length and cross-sectional area, inner and outer radii, density and strength at the mid-length of the femur, dry weight of gluteus medius, semimenbranosus and triceps surae muscles. Factor analyses on A) all controls, B) all controls and the 2.76 G group, and C) all controls and centrifuged animals, produced highly similar loading structures of three common factors which accounted for 74%, 68% and 68%. respectively, of the total variance. The 3 factors were interpreted as: 1. An age and size factor which stimulates the growth in length and diameter and increases the density and strength of the femur. This factor is positively correlated with G-load but is also active in the control animals living at earth gravity. 2. A growth inhibition factor which acts on body size, femoral length and on both the outer and inner radius at mid-length of the femur. This factor is intensified by centrifugation.

Ascent performance feasibility for next-generation spacecraft

NASA Astrophysics Data System (ADS)

Mancuso, Salvatore Massimo

This thesis deals with the optimization of the ascent trajectories for single-stage suborbital (SSSO), single-stage-to-orbit (SSTO), and two-stage-to-orbit (TSTO) rocket-powered spacecraft. The maximum payload weight problem has been solved using the sequential gradient-restoration algorithm. For the TSTO case, some modifications to the original version of the algorithm have been necessary in order to deal with discontinuities due to staging and the fact that the functional being minimized depends on interface conditions. The optimization problem is studied for different values of the initial thrust-to-weight ratio in the range 1.3 to 1.6, engine specific impulse in the range 400 to 500 sec, and spacecraft structural factor in the range 0.08 to 0.12. For the TSTO configuration, two subproblems are studied: uniform structural factor between stages and nonuniform structural factor between stages. Due to the regular behavior of the results obtained, engineering approximations have been developed which connect the maximum payload weight to the engine specific impulse and spacecraft structural factor; in turn, this leads to useful design considerations. Also, performance sensitivity to the scale of the aerodynamic drag is studied, and it is shown that its effect on payload weight is relatively small, even for drag changes approaching ± 50%. The main conclusions are that: the design of a SSSO configuration appears to be feasible; the design of a SSTO configuration might be comfortably feasible, marginally feasible, or unfeasible, depending on the parameter values assumed; the design of a TSTO configuration is not only feasible, but its payload appears to be considerably larger than that of a SSTO configuration. Improvements in engine specific impulse and spacecraft structural factor are desirable and crucial for SSTO feasibility; indeed, it appears that aerodynamic improvements do not yield significant improvements in payload weight.

Correlation of RNA secondary structure statistics with thermodynamic stability and applications to folding.

PubMed

Wu, Johnny C; Gardner, David P; Ozer, Stuart; Gutell, Robin R; Ren, Pengyu

2009-08-28

The accurate prediction of the secondary and tertiary structure of an RNA with different folding algorithms is dependent on several factors, including the energy functions. However, an RNA higher-order structure cannot be predicted accurately from its sequence based on a limited set of energy parameters. The inter- and intramolecular forces between this RNA and other small molecules and macromolecules, in addition to other factors in the cell such as pH, ionic strength, and temperature, influence the complex dynamics associated with transition of a single stranded RNA to its secondary and tertiary structure. Since all of the factors that affect the formation of an RNAs 3D structure cannot be determined experimentally, statistically derived potential energy has been used in the prediction of protein structure. In the current work, we evaluate the statistical free energy of various secondary structure motifs, including base-pair stacks, hairpin loops, and internal loops, using their statistical frequency obtained from the comparative analysis of more than 50,000 RNA sequences stored in the RNA Comparative Analysis Database (rCAD) at the Comparative RNA Web (CRW) Site. Statistical energy was computed from the structural statistics for several datasets. While the statistical energy for a base-pair stack correlates with experimentally derived free energy values, suggesting a Boltzmann-like distribution, variation is observed between different molecules and their location on the phylogenetic tree of life. Our statistical energy values calculated for several structural elements were utilized in the Mfold RNA-folding algorithm. The combined statistical energy values for base-pair stacks, hairpins and internal loop flanks result in a significant improvement in the accuracy of secondary structure prediction; the hairpin flanks contribute the most.

[Factor structure of the H.S.C.L. in a sample of French anxious-depressed patients].

PubMed

Guelfi, J D; Barthelet, G; Lancrenon, S; Fermanian, J

1984-06-01

The 58 items version of the Hopkins Symptom Check List (Derogatis et al.) was scored on 85 depressed outpatients treated by general practitioners. The data were obtained before any anti-depressant treatment. A principal component factorial analysis with Varimax rotation was used. 41 of the 58 items of the check list were assigned to seven independent factors: interpersonal sensitivity, somatisation (pain), retardation, digestive disorders, autonomic symptoms, sleep and obsessive disorders, depressive mood. Our results are compared to those published by Derogatis.

Quality planning in Construction Project

NASA Astrophysics Data System (ADS)

Othman, I.; Shafiq, Nasir; Nuruddin, M. F.

2017-12-01

The purpose of this paper is to investigate deeper on the factors that contribute to the effectiveness of quality planning, identifying the common problems encountered in quality planning, practices and ways for improvements in quality planning for construction projects. This paper involves data collected from construction company representatives across Malaysia that are obtained through semi-structured interviews as well as questionnaire distributions. Results shows that design of experiments (average index: 4.61), inspection (average index: 4.45) and quality audit as well as other methods (average index: 4.26) rank first, second and third most important factors respectively.

Stability analysis of Caisson Cofferdam Based on Strength Reduction Method

NASA Astrophysics Data System (ADS)

Xu, B. B.; Zhang, N. S.

2018-05-01

The working mechanism of the caisson cofferdam depends on the self-weight of the structure and internal filling to ensure its skid resistance and overturn resistance stability. Using the strength reduction method, the safety factor of the caisson cofferdam can be obtained. The potential slide surface can be searched automatically without constraining the range of the arc center. According to the results, the slippage surface goes through the bottom of the caisson. Based on the judgement criterion of the strength reduction method, the final safety factor is about 1.65.

Using measurable dosimetric quantities to characterize the inter-structural tradeoff in inverse planning

NASA Astrophysics Data System (ADS)

Liu, Hongcheng; Dong, Peng; Xing, Lei

2017-08-01

Traditional inverse planning relies on the use of weighting factors to balance the conflicting requirements of different structures. Manual trial-and-error determination of weighting factors has long been recognized as a time-consuming part of treatment planning. The purpose of this work is to develop an inverse planning framework that parameterizes the dosimetric tradeoff among the structures with physically meaningful quantities to simplify the search for clinically sensible plans. In this formalism, instead of using weighting factors, the permissible variation range of the prescription dose or dose volume histogram (DVH) of the involved structures are used to characterize the ‘importance’ of the structures. The inverse planning is then formulated into a convex feasibility problem, called the dosimetric variation-controlled model (DVCM), whose goal is to generate plans with dosimetric or DVH variations of the structures consistent with the pre-specified values. For simplicity, the dosimetric variation range for a structure is extracted from a library of previous cases which possess similar anatomy and prescription. A two-phase procedure (TPP) is designed to solve the model. The first phase identifies a physically feasible plan to satisfy the prescribed dosimetric variation, and the second phase automatically improves the plan in case there is room for further improvement. The proposed technique is applied to plan two prostate cases and two head-and-neck cases and the results are compared with those obtained using a conventional CVaR approach and with a moment-based optimization scheme. Our results show that the strategy is able to generate clinically sensible plans with little trial and error. In all cases, the TPP generates a very competitive plan as compared to those obtained using the alternative approaches. Particularly, in the planning of one of the head-and-neck cases, the TPP leads to a non-trivial improvement in the resultant dose distribution—the fractional volumes receiving a dose above 20 Gy for the spinal cord are reduced by more than 40% when compared to the alternative schemes, while maintaining the same PTV coverage. With physically more meaningful modeling of the inter-structural tradeoff, the reported technique enables us to substantially reduce the need for trial-and-error adjustment of the model parameters. The new formalism also opens new opportunities for incorporating prior knowledge to facilitate the treatment planning process.

Caregiver Appraisals of Functional Dependence in Individuals With Dementia and Associated Caregiver Upset: Psychometric Properties of a New Scale and Response Patterns by Caregiver and Care Recipient Characteristics

PubMed Central

GITLIN, LAURA N.; ROTH, DAVID L.; BURGIO, LOUIS D.; LOEWENSTEIN, DAVID A.; WINTER, LARAINE; NICHOLS, LINDA; ARGÜELLES, SOLEDAD; CORCORAN, MARY; BURNS, ROBERT; MARTINDALE, JENNIFER

2008-01-01

Objective To evaluate psychometric properties and response patterns of the Caregiver Assessment of Function and Upset (CAFU), a 15-item multidimensional measure of dependence in dementia patients and caregiver reaction. Method 640 families were administered the CAFU (53% White, 43% African American, and 4% mixed race and ethnicity). We created a random split of the sample and conducted exploratory factor analyses on Sample 1 and confirmatory factor analyses on Sample 2. Convergent and discriminant validity were evaluated using Spearman rank correlation coefficients. Results A two-factor structure for functional items was derived, and excellent factorial validity was obtained. Convergent and discriminant validity were obtained for function and upset measures. Differential response patterns for dependence and caregiver upset were found for caregiver race, relationship, and care recipient gender but not for caregiver gender. Discussion The CAFU is easily administered, reliable, and valid for evaluating appraisals of dependencies and upsetting care areas. PMID:15750049

Strategy to Achieve Highly Porous/Biocompatible Macroscale Cell Blocks, Using a Collagen/Genipin-bioink and an Optimal 3D Printing Process.

PubMed

Kim, Yong Bok; Lee, Hyeongjin; Kim, Geun Hyung

2016-11-30

Recently, a three-dimensional (3D) bioprinting process for obtaining a cell-laden structure has been widely applied because of its ability to fabricate biomimetic complex structures embedded with and without cells. To successfully obtain a cell-laden porous block, the cell-delivering vehicle, bioink, is one of the significant factors. Until now, various biocompatible hydrogels (synthetic and natural biopolymers) have been utilized in the cell-printing process, but a bioink satisfying both biocompatibility and print-ability requirements to achieve a porous structure with reasonable mechanical strength has not been issued. Here, we propose a printing strategy with optimal conditions including a safe cross-linking procedure for obtaining a 3D porous cell block composed of a biocompatible collagen-bioink and genipin, a cross-linking agent. To obtain the optimal processing conditions, we modified the 3D printing machine and selected an optimal cross-linking condition (∼1 mM and 1 h) of genipin solution. To show the feasibility of the process, 3D pore-interconnected cell-laden constructs were manufactured using osteoblast-like cells (MG63) and human adipose stem cells (hASCs). Under these processing conditions, a macroscale 3D collagen-based cell block of 21 × 21 × 12 mm 3 and over 95% cell viability was obtained. In vitro biological testing of the cell-laden 3D porous structure showed that the embedded cells were sufficiently viable, and their proliferation was significantly higher; the cells also exhibited increased osteogenic activities compared to the conventional alginate-based bioink (control). The results indicated the fabrication process using the collagen-bioink would be an innovative platform to design highly biocompatible and mechanically stable cell blocks.

Development of uncertainty-based work injury model using Bayesian structural equation modelling.

PubMed

Chatterjee, Snehamoy

2014-01-01

This paper proposed a Bayesian method-based structural equation model (SEM) of miners' work injury for an underground coal mine in India. The environmental and behavioural variables for work injury were identified and causal relationships were developed. For Bayesian modelling, prior distributions of SEM parameters are necessary to develop the model. In this paper, two approaches were adopted to obtain prior distribution for factor loading parameters and structural parameters of SEM. In the first approach, the prior distributions were considered as a fixed distribution function with specific parameter values, whereas, in the second approach, prior distributions of the parameters were generated from experts' opinions. The posterior distributions of these parameters were obtained by applying Bayesian rule. The Markov Chain Monte Carlo sampling in the form Gibbs sampling was applied for sampling from the posterior distribution. The results revealed that all coefficients of structural and measurement model parameters are statistically significant in experts' opinion-based priors, whereas, two coefficients are not statistically significant when fixed prior-based distributions are applied. The error statistics reveals that Bayesian structural model provides reasonably good fit of work injury with high coefficient of determination (0.91) and less mean squared error as compared to traditional SEM.

Structural characterization of polymorphs and molecular complexes of finasteride

NASA Astrophysics Data System (ADS)

Wawrzycka, Irena; Stȩpniak, Krystyna; Matyjaszczyk, Sławomir; Kozioł, Anna E.; Lis, Tadeusz; Abboud, Khalil A.

1999-01-01

The molecular structure of finasteride, 17 β-( N-tert-butylcarbamoyl)-4-aza-5 α-androst-1-en-3-one, and structures of three related crystalline forms have been determined by X-ray analysis. The rigid steroid skeleton of the molecule adopts a half-chair/chair/chair/half-chair conformation. Two peptide groups, one cyclic (lactam) in the ring A and a second being a part of the substituent at C17, are the main factors influencing intermolecular contacts. Different hydrogen-bond interactions of these hydrophilic groups are observed in the crystal structures. An infinite ribbon of finasteride molecules is formed between lactam groups in the orthorhombic homomolecular crystal ( 1) obtained from an ethanol solution. The linear molecular complex finasteride-acetic acid ( 1a) is connected by hydrogen bonds between the lactam of finasteride and the carboxyl group of acetic acid. The crystallization from an ethyl acetate solution gives a complex structure of bis-finasteride monohydrate ethyl acetate clathrate ( 1b) with guest molecule disordered in channels. Crystals of a second (monoclinic) finasteride polymorph ( 2) were obtained during thermal decomposition of 1a, and sublimation of 1, 1a and 1b. Two polymorphic forms show different IR spectra.

Power flow analysis of two coupled plates with arbitrary characteristics

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1990-01-01

In the last progress report (Feb. 1988) some results were presented for a parametric analysis on the vibrational power flow between two coupled plate structures using the mobility power flow approach. The results reported then were for changes in the structural parameters of the two plates, but with the two plates identical in their structural characteristics. Herein, limitation is removed. The vibrational power input and output are evaluated for different values of the structural damping loss factor for the source and receiver plates. In performing this parametric analysis, the source plate characteristics are kept constant. The purpose of this parametric analysis is to determine the most critical parameters that influence the flow of vibrational power from the source plate to the receiver plate. In the case of the structural damping parametric analysis, the influence of changes in the source plate damping is also investigated. The results obtained from the mobility power flow approach are compared to results obtained using a statistical energy analysis (SEA) approach. The significance of the power flow results are discussed together with a discussion and a comparison between the SEA results and the mobility power flow results. Furthermore, the benefits derived from using the mobility power flow approach are examined.

Unveiling the molecular mechanism of brassinosteroids: Insights from structure-based molecular modeling studies.

PubMed

Lei, Beilei; Liu, Jiyuan; Yao, Xiaojun

2015-12-01

Brassinosteroid (BR) phytohormones play indispensable roles in plant growth and development. Brassinolide (BL) and 24-epibrassinolide (24-epiBL) are the most active ones among the BRs reported thus far. Unfortunately, the extremely low natural content and intricate synthesis process limit their popularization in agricultural production. Earlier reports to discover alternative compounds have resulted in molecules with nearly same scaffold structure and without diversity in chemical space. In the present study, receptors structure based BRs regulation mechanism was analyzed. First, we examined the detailed binding interactions and their dynamic stability between BL and its receptor BRI1 and co-receptor BAK1. Then, the binding modes and binding free energies for 24-epiBL and a series of representative BRs binding with BRI1 and BRI1-BAK1 were carried out by molecular docking, energy minimization and MM-PBSA free energy calculation. The obtained binding structures and energetic results provided vital insights into the structural factors affecting the activity from both receptors and BRs aspects. Subsequently, the obtained knowledge will serve as valuable guidance to build pharmacophore models for rational screening of new scaffold alternative BRs. Copyright © 2015 Elsevier Inc. All rights reserved.

Structural Characterization of the Trimerization of TRAF6 Protein Through Molecular Dynamics Simulations.

PubMed

Biswas, Ria; Bagchi, Angshuman

2017-09-11

The tumour necrosis factor (TNF) receptor-associated factor (TRAF) family of proteins having E3 ligase activity are the key molecules involved in cellular immune response pathways. TRAF6 is a unique member of the TRAF superfamily differing from other members of the family, owing to its specific interactions with molecules outside the TNF receptor superfamily. The C-terminal domain of TRAF proteins contains the catalytic residues and are known to be involved in self-oligomerization forming a mushroom-shaped trimeric structure, which is the functional form of the protein. However, the monomeric crystal structure of TRAF6 C-terminal domain has been already determined, but the trimeric structure of the same is still not available. We here applied computational structural modelling and molecular dynamics simulations studies to get insights into the molecular interactions involved in determining the trimeric structure of the TRAF6 C-terminal domain. The non-availability of the trimeric structure of the TRAF6 C-terminal domain prevented the elucidation of the molecular mechanism of many different biological processes. Our results suggest that the trimer complex is transient in nature. The amino acid residues Lys340 and Glu345 in the coiled coil domain in the C-terminus of TRAF6 play a critical role in trimer structure formation. This structural modelling study may therefore be utilized to obtain the experimentally validated trimeric structure of this important protein.

Crack Turning and Arrest Mechanisms for Integral Structure

NASA Technical Reports Server (NTRS)

Pettit, Richard; Ingraffea, Anthony

1999-01-01

In the course of several years of research efforts to predict crack turning and flapping in aircraft fuselage structures and other problems related to crack turning, the 2nd order maximum tangential stress theory has been identified as the theory most capable of predicting the observed test results. This theory requires knowledge of a material specific characteristic length, and also a computation of the stress intensity factors and the T-stress, or second order term in the asymptotic stress field in the vicinity of the crack tip. A characteristic length, r(sub c), is proposed for ductile materials pertaining to the onset of plastic instability, as opposed to the void spacing theories espoused by previous investigators. For the plane stress case, an approximate estimate of r(sub c), is obtained from the asymptotic field for strain hardening materials given by Hutchinson, Rice and Rosengren (HRR). A previous study using of high order finite element methods to calculate T-stresses by contour integrals resulted in extremely high accuracy values obtained for selected test specimen geometries, and a theoretical error estimation parameter was defined. In the present study, it is shown that a large portion of the error in finite element computations of both K and T are systematic, and can be corrected after the initial solution if the finite element implementation utilizes a similar crack tip discretization scheme for all problems. This scheme is applied for two-dimensional problems to a both a p-version finite element code, showing that sufficiently accurate values of both K(sub I) and T can be obtained with fairly low order elements if correction is used. T-stress correction coefficients are also developed for the singular crack tip rosette utilized in the adaptive mesh finite element code FRANC2D, and shown to reduce the error in the computed T-stress significantly. Stress intensity factor correction was not attempted for FRANC2D because it employs a highly accurate quarter-point scheme to obtain stress intensity factors.

Interfacial structure of two-dimensional epitaxial Er silicide on Si(111)

NASA Astrophysics Data System (ADS)

Tuilier, M. H.; Wetzel, P.; Pirri, C.; Bolmont, D.; Gewinner, G.

1994-07-01

Auger-electron diffraction (AED) and surface-extended x-ray-absorption fine structure (SEXAFS) have been used to obtain a complete description of the atomic structure of a two-dimensional epitaxial Er silicide layer on Si(111). AED reveals that a monolayer of Er is located underneath a buckled Si double layer. The relevant Er-Si interlayer spacings are determined by means of single scattering cluster simulations and a R-factor analysis to be 1.92+/-0.05 Å to the first and 2.70+/-0.05 Å to the second Si top layer. Er near-neighbor bond lengths and coordination numbers are obtained independently from polarization-dependent SEXAFS. The SEXAFS data, when combined with the Si top-layer geometry inferred from AED, permit the determination of the atomic positions at the silicide/Si(111) interface. The Er is found to reside in relaxed T4 sites of Si(111) with a single Er-Si distance of 3.09+/-0.04 Å to the first- and second-layer Si atoms of the substrate.

Coherent convergent-beam time-resolved X-ray diffraction

PubMed Central

Spence, John C. H.; Zatsepin, Nadia A.; Li, Chufeng

2014-01-01

The use of coherent X-ray lasers for structural biology allows the use of nanometre diameter X-ray beams with large beam divergence. Their application to the structure analysis of protein nanocrystals and single particles raises new challenges and opportunities. We discuss the form of these coherent convergent-beam (CCB) hard X-ray diffraction patterns and their potential use for time-resolved crystallography, normally achieved by Laue (polychromatic) diffraction, for which the monochromatic laser radiation of a free-electron X-ray laser is unsuitable. We discuss the possibility of obtaining single-shot, angle-integrated rocking curves from CCB patterns, and the dependence of the resulting patterns on the focused beam coordinate when the beam diameter is larger or smaller than a nanocrystal, or smaller than one unit cell. We show how structure factor phase information is provided at overlapping interfering orders and how a common phase origin between different shots may be obtained. Their use in refinement of the phase-sensitive intensity between overlapping orders is suggested. PMID:24914153

Tamm plasmon sub-wavelength structuration for loss reduction and resonance tuning

NASA Astrophysics Data System (ADS)

Gubaydullin, A. R.; Symonds, C.; Benoit, J.-M.; Ferrier, L.; Benyattou, T.; Jamois, C.; Lemaître, A.; Senellart, P.; Kaliteevski, M. A.; Bellessa, J.

2017-12-01

We have demonstrated experimentally and theoretically that losses in Tamm plasmon structures can be reduced by using a subwavelength structuration of the metal layer. The structures consist of a GaAs/Al0.95Ga0.05As Bragg reflector covered with a sub-wavelength silver grating. An active quantum dot layer is inserted to perform photoluminescence experiments. Experimental results show that the quality factor of the Tamm plasmon mode with grating increases substantially, with respect to the same structure without a grating. Moreover, a fine-tuning of the Tamm spectral position is obtained by changing the grating parameters. Finite element method simulations are in good agreement with the experimental values. Our results will promote the realization of lasing with the TP based devices at room temperature.

Successive magnetic phase transitions in α -RuCl3 : XY-like frustrated magnet on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Kubota, Yumi; Tanaka, Hidekazu; Ono, Toshio; Narumi, Yasuo; Kindo, Koichi

2015-03-01

The layered compound α -RuCl3 is composed of a honeycomb lattice of magnetic Ru3 + ions with the 4 d5 electronic state. We have investigated the magnetic properties of α -RuCl3 via magnetization and specific heat measurements using single crystals. It was observed that α -RuCl3 undergoes a structural phase transition at Tt≃150 K accompanied by fairly large hysteresis. This structural phase transition is expected to be similar to that observed in closely related CrCl3. The magnetizations and magnetic susceptibilities are strongly anisotropic, which mainly arise from the anisotropic g factors, i.e., ga b≃2.5 and gc≃0.4 for magnetic fields parallel and perpendicular to the a b plane, respectively. These g factors and the obtained entropy indicate that the effective spin of Ru3 + is one-half, which results from the low-spin state. Specific heat data show that magnetic ordering occurs in four steps at zero magnetic field. The successive magnetic phase transitions should be ascribed to the competition among exchange interactions. The magnetic phase diagram for H ∥a b is obtained. We discuss the strongly anisotropic g factors in α -RuCl3 and deduce that the exchange interaction is strongly XY-like. α -RuCl3 is magnetically described as a three-dimensionally coupled XY-like frustrated magnet on a honeycomb lattice.

Giant magneto-optical Kerr rotation, quality factor and figure of merit in cobalt-ferrite magnetic nanoparticles doped in silica matrix as the only defect layer embedded in magnetophotonic crystals

NASA Astrophysics Data System (ADS)

Zamani, Mehdi; Hocini, Abdesselam

2018-03-01

In this work, we report on the theoretical study of one-dimensional magnetophotonic crystals (MPC) comprising of periodic dielectric structure Si/SiO and of silica matrix doped with cobalt-ferrite (CoFe2O4) magnetic nanoparticles as the only magnetic defect layer. Such structure can be prepared by sol-gel dip coating method that controls the thickness of each layer with nanometer level, hence, can overcome the problem of integration of the magneto-optical (MO) devices. We have studied the influence of the volume fraction (concentration of magnetic nanoparticles VF%) on the optical (reflectance, transmittance and absorption) and MO (Kerr rotation) responses in reflection-type one-dimensional MPCs. During investigation of the influence of magnetic nanoparticle's concentration, we found that giant Kerr rotations (even ≈135° for VF = 39%) can be obtained accompanied by large reflectance and low amounts for transmittance and absorption. We report on the demonstration of large MO quality factor and figure of merit in cobalt-ferrite magnetic nanoparticles in the infrared regime. Given the large Kerr rotation, high reflectance accompanied by low absorption and nearly zero transmittance of the 1D MPC containing cobalt-ferrite magnetic nanoparticles, large MO Q factor and figure of merit are obtained.

Water adsorption isotherms on porous onionlike carbonaceous particles. Simulations with the grand canonical Monte Carlo method

NASA Astrophysics Data System (ADS)

Hantal, György; Picaud, Sylvain; Hoang, Paul N. M.; Voloshin, Vladimir P.; Medvedev, Nikolai N.; Jedlovszky, Pál

2010-10-01

The grand canonical Monte Carlo method is used to simulate the adsorption isotherms of water molecules on different types of model soot particles. These soot models are constructed by first removing atoms from onion-fullerene structures in order to create randomly distributed pores inside the soot, and then performing molecular dynamics simulations, based on the reactive adaptive intermolecular reactive empirical bond order (AIREBO) description of the interaction between carbon atoms, to optimize the resulting structures. The obtained results clearly show that the main driving force of water adsorption on soot is the possibility of the formation of new water-water hydrogen bonds with the already adsorbed water molecules. The shape of the calculated water adsorption isotherms at 298 K strongly depends on the possible confinement of the water molecules in pores of the carbonaceous structure. We found that there are two important factors influencing the adsorption ability of soot. The first of these factors, dominating at low pressures, is the ability of the soot of accommodating the first adsorbed water molecules at strongly hydrophilic sites. The second factor concerns the size and shape of the pores, which should be such that the hydrogen bonding network of the water molecules filling them should be optimal. This second factor determines the adsorption properties at higher pressures.

Over-expression and purification strategies for recombinant multi-protein oligomers: a case study of Mycobacterium tuberculosis σ/anti-σ factor protein complexes.

PubMed

Thakur, Krishan Gopal; Jaiswal, Ravi Kumar; Shukla, Jinal K; Praveena, T; Gopal, B

2010-12-01

The function of a protein in a cell often involves coordinated interactions with one or several regulatory partners. It is thus imperative to characterize a protein both in isolation as well as in the context of its complex with an interacting partner. High resolution structural information determined by X-ray crystallography and Nuclear Magnetic Resonance offer the best route to characterize protein complexes. These techniques, however, require highly purified and homogenous protein samples at high concentration. This requirement often presents a major hurdle for structural studies. Here we present a strategy based on co-expression and co-purification to obtain recombinant multi-protein complexes in the quantity and concentration range that can enable hitherto intractable structural projects. The feasibility of this strategy was examined using the σ factor/anti-σ factor protein complexes from Mycobacterium tuberculosis. The approach was successful across a wide range of σ factors and their cognate interacting partners. It thus appears likely that the analysis of these complexes based on variations in expression constructs and procedures for the purification and characterization of these recombinant protein samples would be widely applicable for other multi-protein systems. Copyright © 2010 Elsevier Inc. All rights reserved.

Effect of mesoporous structure on the Seebeck coefficient and electrical properties of SrTi0.8Nb0.2O3

NASA Astrophysics Data System (ADS)

Park, Chang-Sun; Hong, Min-Hee; Cho, Hyung Hee; Park, Hyung-Ho

2017-07-01

The porosity of mesoporous SrTi0.8Nb0.2O3 (STNO) was controlled by changing the surfactant concentration to investigate the porosity effect on the thermoelectric properties. Mesoporous structure typically induces a large decrease in the carrier mobility and a small increase in the carrier concentration owing to carrier scattering and oxygen vacancies. These changes in the carrier mobility and concentration induce a change in the thermoelectric properties by enhancing the Seebeck coefficient owing to an increase in the electrical resistivity and carrier filtering effect. Brij-S10 surfactant induces a carrier filtering effect in STNO, and so the Seebeck coefficient could be enhanced even with increasing carrier concentration. Because the Seebeck coefficient affects the power factor more strongly than the electrical resistivity does, incorporation of Brij-S10 surfactant into STNO films increases the power factor. The maximum value of the power factor, approximately 2.2 × 10-4 W/mK2 at 200 °C, was obtained at a Brij-S10 molar ratio of 0.075. From this result, we can expect the application of STNO as a thermoelectric material with an enhanced power factor through successful adoption of mesoporous structure.

Comparison of large-scale structures and velocities in the local universe

NASA Technical Reports Server (NTRS)

Yahil, Amos

1994-01-01

Comparison of the large-scale density and velocity fields in the local universe shows detailed agreement, strengthening the standard paradigm of the gravitational origin of these structures. Quantitative analysis can determine the cosmological density parameter, Omega, and biasing factor, b; there is virtually no sensitivity in any local analyses to the cosmologial constant, lambda. Comparison of the dipole anisotropy of the cosmic microwave background with the acceleration due to the Infrared Astronomy Satellite (IRAS) galaxies puts the linear growth factor in the range beta approximately equals Omega (exp 0.6)/b = 0.6(+0.7/-0.3) (95% confidence). A direct comparison of the density and velocity fields of nearby galaxies gives beta = 1.3 (+0.7/-0.6), and from nonlinear analysis the weaker limit (Omega greater than 0.45 for b greater than 0.5 (again 95% confidence). A tighter limit (Omega greater than 0.3 (4-6 sigma)), is obtained by a reconstruction of the probability distribution function of the initial fluctuations from which the structures observed today arose. The last two methods depend critically on the smooth velocity field determined from the observed velocities of nearby galaxies by the POTENT method. A new analysis of these velocities, with more than three times the data used to obtain the above quoted results, is now underway and promises to tighten the uncertainties considerably, as well as reduce systematic bias.

nirS-Encoding denitrifier community composition, distribution, and abundance along the coastal wetlands of China.

PubMed

Gao, Juan; Hou, Lijun; Zheng, Yanling; Liu, Min; Yin, Guoyu; Li, Xiaofei; Lin, Xianbiao; Yu, Chendi; Wang, Rong; Jiang, Xiaofen; Sun, Xiuru

2016-10-01

For the past few decades, human activities have intensively increased the reactive nitrogen enrichment in China's coastal wetlands. Although denitrification is a critical pathway of nitrogen removal, the understanding of denitrifier community dynamics driving denitrification remains limited in the coastal wetlands. In this study, the diversity, abundance, and community composition of nirS-encoding denitrifiers were analyzed to reveal their variations in China's coastal wetlands. Diverse nirS sequences were obtained and more than 98 % of them shared considerable phylogenetic similarity with sequences obtained from aquatic systems (marine/estuarine/coastal sediments and hypoxia sea water). Clone library analysis revealed that the distribution and composition of nirS-harboring denitrifiers had a significant latitudinal differentiation, but without a seasonal shift. Canonical correspondence analysis showed that the community structure of nirS-encoding denitrifiers was significantly related to temperature and ammonium concentration. The nirS gene abundance ranged from 4.3 × 10(5) to 3.7 × 10(7) copies g(-1) dry sediment, with a significant spatial heterogeneity. Among all detected environmental factors, temperature was a key factor affecting not only the nirS gene abundance but also the community structure of nirS-type denitrifiers. Overall, this study significantly enhances our understanding of the structure and dynamics of denitrifying communities in the coastal wetlands of China.

Calculated hydroxyl A2 sigma --> X2 pi (0, 0) band emission rate factors applicable to atmospheric spectroscopy

NASA Technical Reports Server (NTRS)

Cageao, R. P.; Ha, Y. L.; Jiang, Y.; Morgan, M. F.; Yung, Y. L.; Sander, S. P.

1997-01-01

A calculation of the A2 sigma --> X2 pi (0, 0) band emission rate factors and line center absorption cross sections of OH applicable to its measurement using solar resonant fluorescence in the terrestrial atmosphere is presented in this paper. The most accurate available line parameters have been used. Special consideration has been given to the solar input flux because of its highly structured Fraunhofer spectrum. The calculation for the OH atmospheric emission rate factor in the solar resonant fluorescent case is described in detail with examples and intermediate results. Results of this calculation of OH emission rate factors for individual rotational lines are on average 30% lower than the values obtained in an earlier work.

Medium range order and structural relaxation in As–Se network glasses through FSDP analysis

DOE PAGES

Golovchak, R.; Lucas, P.; Oelgoetz, J.; ...

2015-01-13

We performed synchrotron X-ray diffraction and neutron scattering studies on As-Se glasses in two states: as-prepared (rejuvenated) and aged for similar to 27 years. The first sharp diffraction peak (FSDP) obtained from the structure factor data as a function of composition and temperature indicates that the cooperative processes that are responsible for structural relaxation do not affect FSDP. The results are correlated with the composition dependence of the complex heat capacity of the glasses and concentration of different structural fragments in the glass network. Furthermore, the comparison of structural information shows that density fluctuations, which were thought previously to havemore » a significant contribution to FSDP, have much smaller effect than the cation-cation correlations, presence of ordered structural fragments or cage molecules.« less

Does a network structure exist in molecular liquid SnI4 and GeI4?

NASA Astrophysics Data System (ADS)

Sakagami, Takahiro; Fuchizaki, Kazuhiro

2017-04-01

The existence of a network structure consisting of electrically neutral tetrahedral molecules in liquid SnI4 and GeI4 at ambient pressure was examined. The liquid structures employed for the examination were obtained from a reverse Monte Carlo analysis. The structures were physically interpreted by introducing an appropriate intermolecular interaction. A ‘bond’ was then defined as an intermolecular connection that minimizes the energy of intermolecular interaction. However, their ‘bond’ energy is too weak for the ‘bond’ and the resulting network structure to be defined statically. The vertex-to-edge orientation between the nearest molecules is so ubiquitous that almost all of the molecules in the system can take part in the network, which is reflected in the appearance of a prepeak in the structure factor.

A Second-Order Confirmatory Factor Analysis of the Moral Distress Scale-Revised for Nurses.

PubMed

Sharif Nia, Hamid; Shafipour, Vida; Allen, Kelly-Ann; Heidari, Mohammad Reza; Yazdani-Charati, Jamshid; Zareiyan, Armin

2017-01-01

Moral distress is a growing problem for healthcare professionals that may lead to dissatisfaction, resignation, or occupational burnout if left unattended, and nurses experience different levels of this phenomenon. This study aims to investigate the factor structure of the Persian version of the Moral Distress Scale-Revised in intensive care and general nurses. This methodological research was conducted with 771 nurses from eight hospitals in the Mazandaran Province of Iran in 2017. Participants completed the Moral Distress Scale-Revised, data collected, and factor structure assessed using the construct, convergent, and divergent validity methods. The reliability of the scale was assessed using internal consistency (Cronbach's alpha, Theta, and McDonald's omega coefficients) and construct reliability. Ethical considerations: This study was approved by the Ethics Committee of Mazandaran University of Medical Sciences. The exploratory factor analysis ( N = 380) showed that the Moral Distress Scale-Revised has five factors: lack of professional competence at work, ignoring ethical issues and patient conditions, futile care, carrying out the physician's orders without question and unsafe care, and providing care under personal and organizational pressures, which explained 56.62% of the overall variance. The confirmatory factor analysis ( N = 391) supported the five-factor solution and the second-order latent factor model. The first-order model did not show a favorable convergent and divergent validity. Ultimately, the Moral Distress Scale-Revised was found to have a favorable internal consistency and construct reliability. The Moral Distress Scale-Revised was found to be a multidimensional construct. The data obtained confirmed the hypothesis of the factor structure model with a latent second-order variable. Since the convergent and divergent validity of the scale were not confirmed in this study, further assessment is necessary in future studies.

Light scattering by a nematic liquid crystal droplet: Wentzel–Kramers–Brillouin approximation

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

Loiko, V. A., E-mail: loiko@dragon.bas-net.by; Konkolovich, A. V.; Miskevich, A. A.

2016-01-15

Light scattering by an optically anisotropic liquid crystal (LC) droplet of a nematic in an isotropic polymer matrix is considered in the Wentzel–Kramers–Brillouin (WKB) approximation. General relations are obtained for elements of the amplitude matrix of light scattering by a droplet of arbitrary shape and for the structure of the director field. Analytic expressions for the amplitude matrices are derived for spherical LC droplets with a uniformly oriented structure of local optical axes for strictly forward and strictly backward scattering. The efficiency factors of extinction and backward scattering for a spherical nonabsorbing LC droplet depending on the LC optical anisotropy,more » refractive index of the polymer, illumination conditions, and orientation of the optical axis of the droplet are analyzed. Verification of the obtained solutions has been performed.« less

Determinants of physical activity in middle-aged woman in Isfahan using the health belief model.

PubMed

Hosseini, Habibollah; Moradi, Razieh; Kazemi, Ashraf; Shahshahani, Maryam Sadat

2017-01-01

Nowadays with respect to the automation of the lifestyle, immobility statistics in middle-aged women has increased and they are at risk for complications of immobility. One of the models used to identify factors associated with physical activity is Health Belief Model utilized in different age and different cultural backgrounds and different results have been obtained from those studies. The purpose of this study was to investigate the factors affecting on physical activity in middle-aged women using Health Belief Model. This descriptive-correlation study was conducted on 224 middle-aged women referring to health centers in Isfahan. Health Belief Model structures including perceived susceptibility and severity, perceived barriers and benefits, and self-efficacy were measured by questionnaire and physical activity was assessed using the international physical activity questionnaire. Collected data were analyzed using descriptive statistics and Pearson correlation coefficient test and regression analysis. There wasn't significant correlation between perceived susceptibility ( P = 0.263, r = 0.075) and perceived severity with physical activity duration ( P = 0.127, r = 0.058) but there was positive and weak correlation between physical activity duration with perceived benefits ( P = 0.001 and r = 0.26) and perceived self-efficacy ( P = 0.001, r = 0.54) and had weak and inverse correlation with perceived barriers ( P = 0.001, r = -0.25). Regression analysis also showed that from among all the Health Belief Model structures just self-efficacy structure has influenced on behavior independently and other structures are affected by it. The obtained results implied on a correlation between benefits, barriers and perceived self-efficacy with and moderate physical activity. Therefore it is necessary to develop appropriate educational programs with emphasis on structures of Health Belief Model that has the maximum impact on physical activity in middle-aged women.

Microfocus diffraction from different regions of a protein crystal: structural variations and unit-cell polymorphism

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

Thompson, Michael C.; Cascio, Duilio; Yeates, Todd O.

Real macromolecular crystals can be non-ideal in a myriad of ways. This often creates challenges for structure determination, while also offering opportunities for greater insight into the crystalline state and the dynamic behavior of macromolecules. To evaluate whether different parts of a single crystal of a dynamic protein, EutL, might be informative about crystal and protein polymorphism, a microfocus X-ray synchrotron beam was used to collect a series of 18 separate data sets from non-overlapping regions of the same crystal specimen. A principal component analysis (PCA) approach was employed to compare the structure factors and unit cells across the datamore » sets, and it was found that the 18 data sets separated into two distinct groups, with largeRvalues (in the 40% range) and significant unit-cell variations between the members of the two groups. This categorization mapped the different data-set types to distinct regions of the crystal specimen. Atomic models of EutL were then refined against two different data sets obtained by separately merging data from the two distinct groups. A comparison of the two resulting models revealed minor but discernable differences in certain segments of the protein structure, and regions of higher deviation were found to correlate with regions where larger dynamic motions were predicted to occur by normal-mode molecular-dynamics simulations. The findings emphasize that large spatially dependent variations may be present across individual macromolecular crystals. This information can be uncovered by simultaneous analysis of multiple partial data sets and can be exploited to reveal new insights about protein dynamics, while also improving the accuracy of the structure-factor data ultimately obtained in X-ray diffraction experiments.« less

Microwave plasma chemical synthesis of nanocrystalline carbon film structures and study their properties

NASA Astrophysics Data System (ADS)

Bushuev, N.; Yafarov, R.; Timoshenkov, V.; Orlov, S.; Starykh, D.

2015-08-01

The self-organization effect of diamond nanocrystals in polymer-graphite and carbon films is detected. The carbon materials deposition was carried from ethanol vapors out at low pressure using a highly non-equilibrium microwave plasma. Deposition processes of carbon film structures (diamond, graphite, graphene) is defined. Deposition processes of nanocrystalline structures containing diamond and graphite phases in different volume ratios is identified. The solid film was obtained under different conditions of microwave plasma chemical synthesis. We investigated the electrical properties of the nanocrystalline carbon films and identified it's from various factors. Influence of diamond-graphite film deposition mode in non-equilibrium microwave plasma at low pressure on emission characteristics was established. This effect is justified using the cluster model of the structure of amorphous carbon. It was shown that the reduction of bound hydrogen in carbon structures leads to a decrease in the threshold electric field of emission from 20-30 V/m to 5 V/m. Reducing the operating voltage field emission can improve mechanical stability of the synthesized film diamond-graphite emitters. Current density emission at least 20 A/cm2 was obtained. Nanocrystalline carbon film materials can be used to create a variety of functional elements in micro- and nanoelectronics and photonics such as cold electron source for emission in vacuum devices, photonic devices, cathodoluminescent flat display, highly efficient white light sources. The obtained graphene carbon net structure (with a net size about 6 μm) may be used for the manufacture of large-area transparent electrode for solar cells and cathodoluminescent light sources

Vulvovaginal Candidiasis in Aminu Kano Teaching Hospital, North-West Nigeria: Hospital-Based Epidemiological Study

PubMed Central

Ugwa, EA

2015-01-01

Background: Vulvovaginal candidiasis (VVC) remains a common problem worldwide and the role of douching as a predisposing factor is unclear. Aim: This study was undertaken to highlight the prevalence and predisposing factors of VVC in North-west Nigeria. Subjects and Methods: This was a prospective study done at Aminu Kano Teaching Hospital (AKTH), North-west. AKTH is a 500-bed tertiary hospital located in Kano, the most populous state in Nigeria. Ethical clearance was obtained. Three hundred patients with VVC were recruited from the gynecologic and general outpatients’ clinics of AKTH. Research structured questionnaires were used to obtain sociodemographic and clinical information. The data obtained were analyzed using SPSS version 16.0 statistical software (SPSS Inc., Chicago IL, USA). Frequency, mean and simple percentages were used to analyze data. Result: Candida albicans was the most frequent cause of the positive high vaginal swabs constituting 84.5% (316/374) while Proteus vulgaris was the least frequent cause constituting 0.53% (2/374). Fifty-three percent (143/270) of those with VVC were aged 26–35 years; the married were 80% (216/270) and those who were unmarried were 20% (54/270). Douching was the commonest predisposing factor occurring in 42.5% (115/270) of cases. Conclusion: VVC was the most prevalent cause of vaginosis in North-west Nigeria, and douching was the commonest predisposing factor. PMID:26229716

The Role of Extended Time on the SAT[R] for Students with Learning Disabilities and/or Attention-Deficit/Hyperactivity Disorder

ERIC Educational Resources Information Center

Lindstrom, Jennifer Hartwig; Gregg, Noel

2007-01-01

Accommodation policymaking and practice should be guided by empirical research and informed clinical judgment. Findings from our study can provide information to test users about the validity of inferences that can be made from scores obtained from accommodated test administrations for students with disabilities. The factor structure of the newly…

Effect of the physicochemical parameters of benzimidazole molecules on their retention by a nonpolar sorbent from an aqueous acetonitrile solution

NASA Astrophysics Data System (ADS)

Shafigulin, R. V.; Safonova, I. A.; Bulanova, A. V.

2015-09-01

The effect of the structure of benzimidazoles on their chromatographic retention on octadecyl silica gel from an aqueous acetonitrile eluent was studied. One- and many-parameter correlation equations were obtained by linear regression analysis, and their prognostic potential in determining the retention factors of benzimidazoles under study was analyzed.

The Gender Gap in Student Engagement: The Role of Teachers' Autonomy Support, Structure, and Involvement

ERIC Educational Resources Information Center

Lietaert, Sofie; Roorda, Debora; Laevers, Ferre; Verschueren, Karine; De Fraine, Bieke

2015-01-01

Background: The gender gap in education in favour of girls is a widely known phenomenon. Boys generally have higher dropout rates, obtain lower grades, and show lower engagement. Insight into factors related to these academic outcomes could help to address the gender gap. Aims: This study investigated, for Dutch language classes, (1) how boys and…

The Effects of Methods of Imputation for Missing Values on the Validity and Reliability of Scales

ERIC Educational Resources Information Center

Cokluk, Omay; Kayri, Murat

2011-01-01

The main aim of this study is the comparative examination of the factor structures, corrected item-total correlations, and Cronbach-alpha internal consistency coefficients obtained by different methods used in imputation for missing values in conditions of not having missing values, and having missing values of different rates in terms of testing…

School--Possibility or (New) Risk for Young Females in Correctional Institutions

ERIC Educational Resources Information Center

Boric, Ivana Jedud; Mirosavljevic, Anja

2015-01-01

In this paper, the authors deal with the education of girls in a Croatian correctional institution as a risk factor for social exclusion based on the data obtained via semi-structured interviews with experts and the girls and via the documentation analysis method. In this regard, the paper deals with two perspectives, i.e. the girls' and experts',…

Comparison of factor-analytic and reduced rank models for test-day milk yield in Gyr dairy cattle (Bos indicus).

PubMed

Pereira, R J; Ayres, D R; El Faro, L; Verneque, R S; Vercesi Filho, A E; Albuquerque, L G

2013-09-27

We analyzed 46,161 monthly test-day records of milk production from 7453 first lactations of crossbred dairy Gyr (Bos indicus) x Holstein cows. The following seven models were compared: standard multivariate model (M10), three reduced rank models fitting the first 2, 3, or 4 genetic principal components, and three models considering a 2-, 3-, or 4-factor structure for the genetic covariance matrix. Full rank residual covariance matrices were considered for all models. The model fitting the first two principal components (PC2) was the best according to the model selection criteria. Similar phenotypic, genetic, and residual variances were obtained with models M10 and PC2. The heritability estimates ranged from 0.14 to 0.21 and from 0.13 to 0.21 for models M10 and PC2, respectively. The genetic correlations obtained with model PC2 were slightly higher than those estimated with model M10. PC2 markedly reduced the number of parameters estimated and the time spent to reach convergence. We concluded that two principal components are sufficient to model the structure of genetic covariances between test-day milk yields.

Further Improvement of the RITS Code for Pulsed Neutron Bragg-edge Transmission Imaging

NASA Astrophysics Data System (ADS)

Sato, H.; Watanabe, K.; Kiyokawa, K.; Kiyanagi, R.; Hara, K. Y.; Kamiyama, T.; Furusaka, M.; Shinohara, T.; Kiyanagi, Y.

The RITS code is a unique and powerful tool for a whole Bragg-edge transmission spectrum fitting analysis. However, it has had two major problems. Therefore, we have proposed methods to overcome these problems. The first issue is the difference in the crystallite size values between the diffraction and the Bragg-edge analyses. We found the reason was a different definition of the crystal structure factor. It affects the crystallite size because the crystallite size is deduced from the primary extinction effect which depends on the crystal structure factor. As a result of algorithm change, crystallite sizes obtained by RITS drastically approached to crystallite sizes obtained by Rietveld analyses of diffraction data; from 155% to 110%. The second issue is correction of the effect of background neutrons scattered from a specimen. Through neutron transport simulation studies, we found that the background components consist of forward Bragg scattering, double backward Bragg scattering, and thermal diffuse scattering. RITS with the background correction function which was developed through the simulation studies could well reconstruct various simulated and experimental transmission spectra, but refined crystalline microstructural parameters were often distorted. Finally, it was recommended to reduce the background by improving experimental conditions.

Structural study of human growth hormone-releasing factor fragment (1?29) by vibrational spectroscopy

NASA Astrophysics Data System (ADS)

Carmona, P.; Molina, M.; Lasagabaster, A.

1995-05-01

The conformational structure of fragment 1-29 of human growth hormone releasing factor, hGHRF (1-29), in aqueous solution and in the solid state is investigated by infrared and Raman spectroscopy. The polypeptide backbone is found to be unordered in the solid state. However, the spectra of the peptide prepared as 5% (w/w) aqueous solutions show that approximately 28% of the peptide is involved in intermolecular β-sheet aggregation. The remainder of the peptide exists largely as disordered and β-sheet conformations with a small portion of α-helices. Tyrosine residues are found to be exposed to the solvent. The secondary structures are quantitatively examined through infrared spectroscopy, the conformational percentages being near those obtained by HONDAet al. [ Biopolymers31, 869 (1991)] using circular dichroism. The fast hydrogen/deuterium exchange in peptide groups and the absence of any NMR sign indicative of ordered structure [ G. M. CLOREet al., J. Molec. Biol.191, 553 (1986)] support that the solution conformations of the non-aggregated peptide interconvert in dynamic equilibrium. Some physiological advantages that may derive from this conformational flexibility are also discussed

A Target-Less Vision-Based Displacement Sensor Based on Image Convex Hull Optimization for Measuring the Dynamic Response of Building Structures.

PubMed

Choi, Insub; Kim, JunHee; Kim, Donghyun

2016-12-08

Existing vision-based displacement sensors (VDSs) extract displacement data through changes in the movement of a target that is identified within the image using natural or artificial structure markers. A target-less vision-based displacement sensor (hereafter called "TVDS") is proposed. It can extract displacement data without targets, which then serve as feature points in the image of the structure. The TVDS can extract and track the feature points without the target in the image through image convex hull optimization, which is done to adjust the threshold values and to optimize them so that they can have the same convex hull in every image frame and so that the center of the convex hull is the feature point. In addition, the pixel coordinates of the feature point can be converted to physical coordinates through a scaling factor map calculated based on the distance, angle, and focal length between the camera and target. The accuracy of the proposed scaling factor map was verified through an experiment in which the diameter of a circular marker was estimated. A white-noise excitation test was conducted, and the reliability of the displacement data obtained from the TVDS was analyzed by comparing the displacement data of the structure measured with a laser displacement sensor (LDS). The dynamic characteristics of the structure, such as the mode shape and natural frequency, were extracted using the obtained displacement data, and were compared with the numerical analysis results. TVDS yielded highly reliable displacement data and highly accurate dynamic characteristics, such as the natural frequency and mode shape of the structure. As the proposed TVDS can easily extract the displacement data even without artificial or natural markers, it has the advantage of extracting displacement data from any portion of the structure in the image.

Global search in photoelectron diffraction structure determination using genetic algorithms

NASA Astrophysics Data System (ADS)

Viana, M. L.; Díez Muiño, R.; Soares, E. A.; Van Hove, M. A.; de Carvalho, V. E.

2007-11-01

Photoelectron diffraction (PED) is an experimental technique widely used to perform structural determinations of solid surfaces. Similarly to low-energy electron diffraction (LEED), structural determination by PED requires a fitting procedure between the experimental intensities and theoretical results obtained through simulations. Multiple scattering has been shown to be an effective approach for making such simulations. The quality of the fit can be quantified through the so-called R-factor. Therefore, the fitting procedure is, indeed, an R-factor minimization problem. However, the topography of the R-factor as a function of the structural and non-structural surface parameters to be determined is complex, and the task of finding the global minimum becomes tough, particularly for complex structures in which many parameters have to be adjusted. In this work we investigate the applicability of the genetic algorithm (GA) global optimization method to this problem. The GA is based on the evolution of species, and makes use of concepts such as crossover, elitism and mutation to perform the search. We show results of its application in the structural determination of three different systems: the Cu(111) surface through the use of energy-scanned experimental curves; the Ag(110)-c(2 × 2)-Sb system, in which a theory-theory fit was performed; and the Ag(111) surface for which angle-scanned experimental curves were used. We conclude that the GA is a highly efficient method to search for global minima in the optimization of the parameters that best fit the experimental photoelectron diffraction intensities to the theoretical ones.

A multi-level analysis of the impact of neighborhood structural and social factors on adolescent substance use.

PubMed

Fagan, Abigail A; Wright, Emily M; Pinchevsky, Gillian M

2015-08-01

This paper examined the effects of neighborhood structural (i.e., economic disadvantage, immigrant concentration, residential stability) and social (e.g., collective efficacy, social network interactions, intolerance of drug use, legal cynicism) factors on the likelihood of any adolescent tobacco, alcohol, and marijuana use. Analyses drew upon information from the Project on Human Development in Chicago Neighborhoods (PHDCN). Data were obtained from a survey of adult residents of 79 Chicago neighborhoods, two waves of interviews with 1657 to 1664 care-givers and youth aged 8 to 16 years, and information from the 1990 U.S. Census Bureau. Hierarchical Bernoulli regression models estimated the impact of neighborhood factors on substance use controlling for individual-level demographic characteristics and psycho-social risk factors. Few neighborhood factors had statistically significant direct effects on adolescent tobacco, alcohol or marijuana use, although youth living in neighborhoods with greater levels of immigrant concentration were less likely to report any drinking. Additional theorizing and more empirical research are needed to better understand the ways in which contextual influences affect adolescent substance use and delinquency. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

A Multi-level Analysis of the Impact of Neighborhood Structural and Social Factors on Adolescent Substance Use

PubMed Central

Wright, Emily M.; Pinchevsky, Gillian M.

2015-01-01

Background This paper examined the effects of neighborhood structural (i.e., economic disadvantage, immigrant concentration, residential stability) and social (e.g., collective efficacy, social network interactions, intolerance of drug use, legal cynicism) factors on the likelihood of any adolescent tobacco, alcohol, and marijuana use. Methods Analyses drew upon information from the Project on Human Development in Chicago Neighborhoods (PHDCN). Data were obtained from a survey of adult residents of 79 Chicago neighborhoods, two waves of interviews with 1,657 to 1,664 care-givers and youth aged 8 to 16 years, and information from the 1990 U.S. Census Bureau. Hierarchical Bernoulli regression models estimated the impact of neighborhood factors on substance use controlling for individual-level demographic characteristics and psycho-social risk factors. Results Few neighborhood factors had statistically significant direct effects on adolescent tobacco, alcohol or marijuana use, although youth living in neighborhoods with greater levels of immigrant concentration were less likely to report any drinking. Conclusion Additional theorizing and more empirical research are needed to better understand the ways in which contextual influences affect adolescent substance use and delinquency. PMID:26049206

Factors affecting failure to quit smoking after exposure to pictorial cigarette pack warnings among employees in Thailand.

PubMed

Sujirarat, Dusit; Silpasuwan, Pimpan; Viwatwongkasem, Chukiat; Sirichothiratana, Nithat

2011-07-01

This study was carried out to determine whether health warning pictures(HWP) affect smoking cessation using a structured equation model for intending-to-quit smokers in work places. Data from a 1-year longitudinal followup of attempt-to-quit employees was obtained to determine if pack warnings affect tobacco cessation rates. Stratified simple random sampling, and Structured Equation Modeling (SEM) were employed. Approximately 20% of intending-to-quit smokers were successful. The integrated model, combining internal, interpersonal factors and health warning pictures as external factors, fit the fail to quit pattern of the model. Having a smoking father was the most significant proximate indicator linked with failure to quit. Although HWL pictures were an external factor in the decision to stop smoking, the direct and indirect causes of failure to quit smoking were the influence of the family members. Fathers contributed to the success or failure of smoking cessation in their children by having an influence on the decision making process. Future HWP should include information about factors that stimulate smokers to quit successfully. The role model of a father on quitting is also important.

Evaluation of the Compulsive Exercise Test (CET) in Adolescents with Eating Disorders: Factor Structure and Relation to Eating Disordered Psychopathology.

PubMed

Swenne, Ingemar

2016-07-01

The aims of this study were to explore the factor structure of the Compulsive Exercise Test (CET) in a clinical sample of Swedish adolescents with eating disorders (ED) and to study the relationship of CET with ED cognitions, body weight and exercise frequency. The compulsive Exercise Test, the Eating Disorders Examination-Questionnaire, body mass index (BMI) and exercise frequency were available at assessment of 210 adolescents (age 14.4 ± 1.6 years) with ED. Factor analysis generated four factors with close similarity to factors previously obtained in a community sample of adolescents samples and supported the use of the original version of CET. Exercise for weight control was strongly related to ED cognitions but less to exercise frequency and BMI. Exercise for regulation of mood was related to ED cognitions and exercise frequency but not to BMI. In adolescents with ED, different aspects of exercise are related to ED cognitions. This needs addressing in the treatment of adolescents with ED. Copyright © 2016 John Wiley & Sons, Ltd and Eating Disorders Association. Copyright © 2016 John Wiley & Sons, Ltd and Eating Disorders Association.

Factor structure of the geriatric care environment scale.

PubMed

Kim, Hongsoo; Capezuti, Elizabeth; Boltz, Marie; Fairchild, Susan; Fulmer, Terry; Mezey, Mathy

2007-01-01

Older adults comprise approximately 60% of all adult, nonobstetric hospital admissions. Nurses Improving Care for Health System Elders (NICHE) is a national program aimed at system improvement to achieve patient-centered care for older adults. The NICHE hospitals use the Geriatric Institutional Assessment Profile (GIAP) to assess their institutional readiness to provide quality care to older adults and to document improvement in geriatric care delivery. To explore the factorial structure of the 28-item Geriatric Care Environment Scale (GCES) of the GIAP, test its validity with a sample of staff registered nurses (RNs), and evaluate its invariance across 4 groups of RNs who worked at 4 different types of hospitals. Staff RNs (N = 9,400) at 71 acute hospitals, who responded to the GIAP from 1999 to 2004, were split randomly into 2 groups for cross-validation. A 3-step data analysis was completed. The a priori factor structure was developed using exploratory factor analysis. The obtained factor model was validated, and its invariance by types of hospitals was examined by confirmatory factor analyses. The GCES is internally consistent (Cronbach's alpha = .93) and accounts for approximately 55% of the total variance. The 4 factors extracted from the exploratory factor analysis are Aging-Sensitive Care Delivery, Resource Availability, Institutional Values Regarding Older Adults and Staff, and Capacity for Collaboration. The 4-factor structured model is validated in a half-randomly selected sample (normed fit index [NFI] = .931, nonnormed fit index [NNFI] = .933, comparative fit index [CFI] = .939, root-mean-square error of approximation [RMSEA] = .058) and does not vary significantly across the 4 groups of RNs who worked at the 4 different types of hospitals (NFI = .969, NNFI = .975, CFI = .976, RMSEA = .027). The GCES is a reliable measure of RN perception of how care provided to older adults reflects age-sensitive principles and the organizational practice environment that supports or hinders care delivery.

Structural equation modeling assessing relationship between mathematics beliefs, teachers' attitudes and teaching practices among novice teachers in Malaysia

NASA Astrophysics Data System (ADS)

Borhan, Noziati; Zakaria, Effandi

2017-05-01

This quantitative study was conducted to investigate the perception level of novice teachers about mathematics belief, teachers' attitude towards mathematics and teaching practices of mathematics in the classroom. In addition, it also aims to identify whether there is a correspondence model with the data obtained and to identify the relationship between the variables of beliefs, attitudes and practices among novice teachers in Malaysia. A total of 263 primary novice teachers throughout the country were involved in this study were selected randomly. Respondents are required to provide a response to the questionnaire of 66 items related to mathematics beliefs, attitudes and practices of the teaching mathematics. There are ten sub-factors which have been established in this instrument for three major constructs using a Likert scale rating of five points. The items of the constructs undergo the exploratory factor analysis (EFA) and confirmatory factor analysis (CFA) procedure involve of unidimensionality test, convergent validity, construct validity and discriminant validity. Descriptive statistics were used to describe the frequency, percentage, the mean and standard deviation for completing some research questions that have been expressed. As for inferential statistical analysis, the researchers used structural equation modeling (SEM) to answer the question of correspondents model and the relationship between these three variables. The results of the study were found that there exist a correspondence measurement and structural model with the data obtained. While the relationship between variable found that mathematics beliefs have a significant influence on teachers' attitudes towards mathematics as well as the relationship between the attitudes with teaching practices. Meanwhile, mathematics belief had no significant relationship with mathematics teaching practices among novice teachers in Malaysia.

Photonic crystal-based optical biosensor: a brief investigation

NASA Astrophysics Data System (ADS)

Divya, J.; Selvendran, S.; Sivanantha Raja, A.

2018-06-01

In this paper, a two-dimensional photonic crystal biosensor for medical applications based on two waveguides and a nanocavity was explored with different shoulder-coupled nanocavity structures. The most important biosensor parameters, like the sensitivity and quality factor, can be significantly improved. By injecting an analyte into a sensing hole, the refractive index of the hole was changed. This refractive index biosensor senses the changes and shifts its operating wavelength accordingly. The transmission characteristics of light in the biosensor under different refractive indices that correspond to the change in the analyte concentration are analyzed by the finite-difference time-domain method. The band gap for each structure is designed and observed by the plane wave expansion method. These proposed structures are designed to obtain an analyte refractive index variation of about 1–1.5 in an optical wavelength range of 1.250–1.640 µm. Accordingly, an improved sensitivity of 136.6 nm RIU‑1 and a quality factor as high as 3915 is achieved. An important feature of this structure is its very small dimensions. Such a combination of attributes makes the designed structure a promising element for label-free biosensing applications.

Low-Dimensional Network Formation in Molten Sodium Carbonate

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

Wilding, Martin C.; Wilson, Mark; Alderman, Oliver L. G.

2016-04-15

Molten carbonates are highly inviscid liquids characterized by low melting points and high solubility of rare earth elements and volatile molecules. An understanding of the structure and related properties of these intriguing liquids has been limited to date. We report the results of a study of molten sodium carbonate (Na2CO3) which combines high energy X-ray diffraction, containerless techniques and computer simulation to provide insight into the liquid structure. Total structure factors (F-x(Q)) are collected on the laser-heated carbonate spheres suspended in flowing gases of varying composition in an aerodynamic levitation furnace. The respective partial structure factor contributions to Fx(Q) aremore » obtained by performing molecular dynamics simulations treating the carbonate anions as flexible entities. The carbonate liquid structure is found to be heavily temperature-dependent. At low temperatures a low-dimensional carbonate chain network forms, at T = 1100 K for example similar to 55% of the C atoms form part of a chain. The mean chain lengths decrease as temperature is increased and as the chains become shorter the rotation of the carbonate anions becomes more rapid enhancing the diffusion of Na+ ions.« less

Acetylcholine-Like Molecular Arrangement in Psychomimetic Anticholinergic Drugs

PubMed Central

Maayani, Saul; Weinstein, Harel; Cohen, Sasson; Sokolovsky, Mordechai

1973-01-01

A study of the relation between the psychotropic activity and the antagonism to acetylcholine observed for some heterocyclic amino esters and compounds of the phencyclidine series suggests some common molecular structural requirements for their properties. Criteria obtained from quantum mechanical calculations of acetylcholine-like molecules indicate that their molecular reactivity with the cholinergic receptor site follows a certain dynamic interaction pattern. This pattern suggests a certain molecular arrangement essential for the interaction, which is based on the electronic properties of the molecules and therefore remains valid for the evaluation of compounds which lack any apparent similarity to acetylcholine. This type of molecular arrangement is shown to be shared by both activators and inhibitors of the acetylcholine receptor discussed here, thus supporting the hypothesis of their binding to a common receptor. The differences in biological activity are attributed to the effect of molecular structural factors which are not commonly included in the molecular arrangement based on the active groups of acetylcholine. The role of such factors is revealed by a study of the observed differences in the cholinergic and psychomimetic activities of related pairs of isomers and enantiomers of the molecules investigated. Structural factors which interfere with the conformational changes occurring in the receptor protein induced by an activator are characterized through differences obtained by the comparative investigation of the activities of the agonist acetate and the antagonist benzilate amino esters of quinuclidine, tropine, and pseudotropine. The same factors are shown in studies of the phencyclidine series to contribute to the antagonism to acetylcholine activity that is closely related to the psychomimetic activity of these drugs in the central nervous system. Similarly, phencyclidine derivatives in which the characteristic acetylcholine-like molecular arrangement is modified by various substitutions are shown to loose both anticholinergic and psychotropic behavior. This close correlation is supported by the identification of molecular regions which will generate the proper molecular arrangement in local anesthetics and morphine, compounds which are known to be involved in cholinergic mechanisms. Images PMID:4522291

New classification methods on singularity of mechanism

NASA Astrophysics Data System (ADS)

Luo, Jianguo; Han, Jianyou

2010-07-01

Based on the analysis of base and methods of singularity of mechanism, four methods obtained according to the factors of moving states of mechanism and cause of singularity and property of linear complex of singularity and methods in studying singularity, these bases and methods can't reflect the direct property and systematic property and controllable property of the structure of mechanism in macro, thus can't play an excellent role in guiding to evade the configuration before the appearance of singularity. In view of the shortcomings of forementioned four bases and methods, six new methods combined with the structure and exterior phenomena and motion control of mechanism directly and closely, classfication carried out based on the factors of moving base and joint component and executor and branch and acutating source and input parameters, these factors display the systemic property in macro, excellent guiding performance can be expected in singularity evasion and machine design and machine control based on these new bases and methods.

Coupled-channel calculation for cross section of fusion and barrier distribution of {}^{16,17,18}O + {}^{16}O reactions

NASA Astrophysics Data System (ADS)

Fereidonnejad, R.; Sadeghi, H.; Ghambari, M.

2018-03-01

In this work, the effect of multi-phonon excitation on heavy-ion fusion reactions has been studied and fusion barrier distributions of energy intervals near and below the Coulomb barrier have been studied for 16,17,18O + 16O reactions. The structure and deformation of nuclear projectiles have been studied. Given the adaptation of computations to experimental data, our calculations predict the behavior of reactions in intervals of energy in which experimental measurements are not available. In addition the S-factor for these reactions has been calculated. The results showed that the structure and deformation of a nuclear projectile are important factors. The S-factor, obtained in the coupled-channel calculations for the {}^{16}O + {}^{16}O, {}^{17}O +{}^{16}O and {}^{18}O +{}^{16}O reactions, showed good agreement with the experimental data and had a maximum value at an energy near 5, 4.5 and 4 MeV, respectively.

Short-time dynamics of lysozyme solutions with competing short-range attraction and long-range repulsion: Experiment and theory

NASA Astrophysics Data System (ADS)

Riest, Jonas; Nägele, Gerhard; Liu, Yun; Wagner, Norman J.; Godfrin, P. Douglas

2018-02-01

Recently, atypical static features of microstructural ordering in low-salinity lysozyme protein solutions have been extensively explored experimentally and explained theoretically based on a short-range attractive plus long-range repulsive (SALR) interaction potential. However, the protein dynamics and the relationship to the atypical SALR structure remain to be demonstrated. Here, the applicability of semi-analytic theoretical methods predicting diffusion properties and viscosity in isotropic particle suspensions to low-salinity lysozyme protein solutions is tested. Using the interaction potential parameters previously obtained from static structure factor measurements, our results of Monte Carlo simulations representing seven experimental lysoyzme samples indicate that they exist either in dispersed fluid or random percolated states. The self-consistent Zerah-Hansen scheme is used to describe the static structure factor, S(q), which is the input to our calculation schemes for the short-time hydrodynamic function, H(q), and the zero-frequency viscosity η. The schemes account for hydrodynamic interactions included on an approximate level. Theoretical predictions for H(q) as a function of the wavenumber q quantitatively agree with experimental results at small protein concentrations obtained using neutron spin echo measurements. At higher concentrations, qualitative agreement is preserved although the calculated hydrodynamic functions are overestimated. We attribute the differences for higher concentrations and lower temperatures to translational-rotational diffusion coupling induced by the shape and interaction anisotropy of particles and clusters, patchiness of the lysozyme particle surfaces, and the intra-cluster dynamics, features not included in our simple globular particle model. The theoretical results for the solution viscosity, η, are in qualitative agreement with our experimental data even at higher concentrations. We demonstrate that semi-quantitative predictions of diffusion properties and viscosity of solutions of globular proteins are possible given only the equilibrium structure factor of proteins. Furthermore, we explore the effects of changing the attraction strength on H(q) and η.

Spanish version of the Thought-Action Fusion Questionnaire and its application in eating disorders

PubMed Central

Jáuregui-Lobera, I; Santed-Germán, Ma; Bolaños-Ríos, P; Garrido-Casals, O

2013-01-01

Purpose The aims of the study were to analyze the psychometric properties of the Spanish version of the Thought-Action Fusion Questionnaire (TAF-SP), as well as to determine its validity by evaluating the relationship of the TAF-SP to different instruments. Patients and methods Two groups were studied: one comprising 146 patients with eating disorders; and another a group of 200 students. Results Three factors were obtained: TAF–Moral; TAF–Likelihood-others; and TAF–Likelihood-oneself. The internal consistency of the TAF-SP was determined by means of Cronbach’s α coefficient, with values ranging between 0.84–0.95. The correlations with other instruments refected adequate validity. The three-factor structure was tested by means of a linear structural equation model, and the structure fit satisfactorily. Differences in TAF-SP scores between the diagnostic subgroups were also analyzed. Conclusion The TAF-SP meets the psychometric requirements for measuring thought-action fusion and shows adequate internal consistency and validity. PMID:24043960

Depressive Symptoms among Latino Farmworkers across the Agricultural Season: Structural and Situational Influences

PubMed Central

Grzywacz, Joseph G.; Quandt, Sara A.; Chen, Haiying; Isom, Scott; Kiang, Lisa; Vallejos, Quirina; Arcury, Thomas A.

2010-01-01

Immigrant Latino farmworkers confront multiple challenges that threaten their mental health. Previous farmworker mental health research has relied primarily on cross-sectional study designs, leaving little opportunity to describe how farmworker mental health changes or to identify factors that may contribute to these changes. This study used prospective data obtained at monthly intervals across one four-month agricultural season from a large sample of Latino farmworkers in NC (N=288) to document variation in depressive symptoms across the agricultural season and delineate structural and situational factors associated with mental health trajectories across time. Depressive symptoms generally followed a U-shaped distribution across the season, but there was substantial variation in this pattern. Structural stressors like marital status and situational stressors like the pace of work, crowded living conditions, and concerns about documentation predicted depressive symptoms. The pattern of results suggests that strategies to address mental health problems in this vulnerable population will require coordinated action at the individual and social level. PMID:20658876

Investigation on high-efficiency Ga0.51In0.49P/In0.01Ga0.99As/Ge triple-junction solar cells for space applications

NASA Astrophysics Data System (ADS)

Zhang, Lei; Niu, Pingjuan; Li, Yuqiang; Song, Minghui; Zhang, Jianxin; Ning, Pingfan; Chen, Peizhuan

2017-12-01

Ga0.51In0.49P/In0.01Ga0.99As/Ge triple-junction solar cells for space applications were grown on 4 inch Ge substrates by metal organic chemical vapor deposition methods. The triple-junction solar cells were obtained by optimizing the subcell structure, showing a high open-circuit voltage of 2.77 V and a high conversion efficiency of 31% with 30.15 cm2 area under the AM0 spectrum at 25 °C. In addition, the In0.01Ga0.99As middle subcell structure was focused by optimizing in order to improve the anti radiation ability of triple-junction solar cells, and the remaining factor of conversion efficiency for middle subcell structure was enhanced from 84% to 92%. Finally, the remaining factor of external quantum efficiency for triple-junction solar cells was increased from 80% to 85.5%.

Depressive symptoms among Latino farmworkers across the agricultural season: Structural and situational influences.

PubMed

Grzywacz, Joseph G; Quandt, Sara A; Chen, Haiying; Isom, Scott; Kiang, Lisa; Vallejos, Quirina; Arcury, Thomas A

2010-07-01

Immigrant Latino farmworkers confront multiple challenges that threaten their mental health. Previous farmworker mental health research has relied primarily on cross-sectional study designs, leaving little opportunity to describe how farmworker mental health changes or to identify factors that may contribute to these changes. This study used prospective data obtained at monthly intervals across one 4-month agricultural season from a large sample of Latino farmworkers in North Carolina (N = 288) to document variation in depressive symptoms across the agricultural season and delineate structural and situational factors associated with mental health trajectories across time. Depressive symptoms generally followed a U-shaped distribution across the season, but there was substantial variation in this pattern. Structural stressors like marital status and situational stressors like the pace of work, crowded living conditions, and concerns about documentation predicted depressive symptoms. The pattern of results suggests that strategies to address mental health problems in this vulnerable population will require coordinated action at the individual and social level.

From Interfaces to Bulk: Experimental-Computational Studies Across Time and Length Scales of Multi-Functional Ionic Polymers

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

Perahia, Dvora; Grest, Gary S.

Neutron experiments coupled with computational components have resulted in unprecedented understanding of the factors that impact the behavior of ionic structured polymers. Additionally, new computational tools to study macromolecules, were developed. In parallel, this DOE funding have enabled the education of the next generation of material researchers who are able to take the advantage neutron tools offer to the understanding and design of advanced materials. Our research has provided unprecedented insight into one of the major factors that limits the use of ionizable polymers, combining the macroscopic view obtained from the experimental techniques with molecular insight extracted from computational studiesmore » leading to transformative knowledge that will impact the design of nano-structured, materials. With the focus on model systems, of broad interest to the scientific community and to industry, the research addressed challenges that cut across a large number of polymers, independent of the specific chemical structure or the transported species.« less

The Strengths and Difficulties Questionnaire-Parents for Italian School-Aged Children: Psychometric Properties and Norms.

PubMed

Tobia, Valentina; Marzocchi, Gian Marco

2018-02-01

The Strengths and Difficulties Questionnaire [SDQ; (1)] is a multi-informant instrument for screening developmental psychopathology. This study contributes to the validation of the Italian SDQ-Parent version (SDQ-P), analyzing its factorial structure, providing norms and investigating cross-informant agreement (parents-teachers). The SDQ-P and the SDQ-Teacher version (SDQ-T) were completed for 1917 primary and middle school students. Confirmatory factor analyses were performed to compare two factorial structures: the original five-factor model and the structure obtained in a past Italian study (2). The original model showed the best fit. Significant differences by gender and school grade were found; norms were provided separately for males and females attending 1st-2nd, 3rd-5th and 6th-8th grades. Finally, the analysis of parent-teacher agreement showed correlations ranging from small (prosocial behavior) to large (hyperactivity-inattention). This study offers some reflections on the best way to use this instrument in a community sample.

Enhanced geometries of macroporous silicon photonic crystals for optical gas sensing applications

NASA Astrophysics Data System (ADS)

Cardador, D.; Vega, D.; Segura, D.; Trifonov, T.; Rodríguez, A.

2017-07-01

A macroporous silicon photonic crystal is designed and optimized theoretically for its use in gas sensing applications and IR optical filters. Light impinges perpendicularly onto the sample surface (vertical propagation) so a three-dimensional (3d) structure is used. For gas sensing, a sharp resonance is desired in order to isolate an absorption line of the gas of interest. The high Q-factors needed mandate the use of a plane defect inside the PhC to give rise to a resonant mode inside the bandgap tuned to the gas absorption line. Furthermore to allow gas passage through the device, an open membrane is required. This can affect the mechanical resilience. To improve the strength of the photonic crystal the pores are extended after the ;active; 3d part. The number of modulations, and the extension length have been optimized to obtain the largest Q-factor with reasonable transmitted power. These proposed structures have been experimentally performed, probing an enhancement of almost an order of magnitude in the Q-factor in respect with the basic case. Simulations considering CO2 have been performed showing that the proposed structures are promising as precise optical gas sensors.

On the consistency of QCBED structure factor measurements for TiO 2 (Rutile)

DOE PAGES

Jiang, Bin; Zuo, Jian -Min; Friis, Jesper; ...

2003-09-16

The same Bragg reflection in TiO 2 from twelve different CBED patterns (from different crystals, orientations and thicknesses) are analysed quantitatively in order to evaluate the consistency of the QCBED method for bond-charge mapping. The standard deviation in the resulting distribution of derived X-ray structure factors is found to be an order of magnitude smaller than that in conventional X-ray work, and the standard error (0.026% for F X(110)) is slightly better than obtained by the X-ray Pendellosung method applied to silicon. This is sufficiently accuracy to distinguish between atomic, covalent and ionic models of bonding. We describe the importancemore » of extracting experimental parameters from CCD camera characterization, and of surface oxidation and crystal shape. Thus, the current experiments show that the QCBED method is now a robust and powerful tool for low order structure factor measurement, which does not suffer from the large extinction (multiple scattering) errors which occur in inorganic X-ray crystallography, and may be applied to nanocrystals. Our results will be used to understand the role of d electrons in the chemical bonding of TiO 2.« less

A re-evaluation of thermal expansion measurements of metallic liquids and glasses from x-ray scattering experiments

NASA Astrophysics Data System (ADS)

Gangopadhyay, A. K.; Kelton, K. F.

2018-05-01

Previous studies reported a number of anomalies when estimates of linear thermal expansion coefficients of metallic liquids and glasses from x-ray scattering experiments were compared with direct measurements of volume/length changes with temperature. In most cases, the first peak of the pair correlation function showed a contraction, while the structure factor showed an expansion, but both at rates much different from those expected from the direct volume measurements. In addition, the relationship between atomic volume and the characteristic lengths obtained from the structure factor from scattering experiments was found to have a fractional exponent instead of one equal to three, as expected from the Ehrenfest relation. This has led to the speculation that the atomic packing in liquids and glasses follow a fractal behavior. These issues are revisited in this study using more in-depth analysis of recent higher resolution data and some new ideas suggested in the literature. The main conclusion is that for metallic alloys, at least to a large extent, most of these anomalies arise from complicated interplays of the temperature dependences of the various partial structure factors, which contribute to the total intensities of the scattering peaks.

Exploring factors affecting owners' trust of contractors in construction projects: a case of China.

PubMed

Tai, Shuangliang; Sun, Chengshuang; Zhang, Shoujian

2016-01-01

It has been found that a low level of trust among members of a construction project team leads to poor performance in China. Many researchers have described the challenges, consequently advocating partnering as an attractive approach for more valuable cooperation. Because substantial investments have been poured into construction projects since the year 2000, trust research will improve the performance of construction projects and will be meaningful to the Chinese construction industry. The purpose of this paper is to investigate the attributes affecting owners' trust of contractors, to understand the potential properties of these factors, and to rank the factors in order of importance. Twenty-four attributes are identified from a literature review. Supported by qualitative reviews, a questionnaire is conducted to obtain relevant data, and 168 valid responses are obtained for data analysis. Principal component analysis (PCA) is employed to find the factor structure of the identified trust attributes. By the method of PCA, the attributes are extracted into eight factors, including interaction history, information sharing and communication, contract and institution, relation-specific investment, reputation, integrity, competence, and opportunistic behaviour. The value and originality of this paper are embodied in using PCA to understand the various attribute groupings and to illuminate trust impact factors in the Chinese context. When they understand the critical factors affecting trust better, owners and contractors can devise more appropriate strategies to improve performance.

Development of a Work Climate Scale in Emergency Health Services

PubMed Central

Sanduvete-Chaves, Susana; Lozano-Lozano, José A.; Chacón-Moscoso, Salvador; Holgado-Tello, Francisco P.

2018-01-01

An adequate work climate fosters productivity in organizations and increases employee satisfaction. Workers in emergency health services (EHS) have an extremely high degree of responsibility and consequent stress. Therefore, it is essential to foster a good work climate in this context. Despite this, scales with a full study of their psychometric properties (i.e., validity evidence based on test content, internal structure and relations to other variables, and reliability) are not available to measure work climate in EHS specifically. For this reason, our objective was to develop a scale to measure the quality of work climates in EHS. We carried out three studies. In Study 1, we used a mixed-method approach to identify the latent conceptual structure of the construct work climate. Thus, we integrated the results found in (a) a previous study, where a content analysis of seven in-depth interviews obtained from EHS professionals in two hospitals in Gibraltar Countryside County was carried out; and (b) the factor analysis of the responses given by 113 EHS professionals from these same centers to 18 items that measured the work climate in health organizations. As a result, we obtained 56 items grouped into four factors (work satisfaction, productivity/achievement of aims, interpersonal relationships, and performance at work). In Study 2, we presented validity evidence based on test content through experts' judgment. Fourteen experts from the methodology and health fields evaluated the representativeness, utility, and feasibility of each of the 56 items with respect to their factor (theoretical dimension). Forty items met the inclusion criterion, which was to obtain an Osterlind index value greater than or equal to 0.5 in the three aspects assessed. In Study 3, 201 EHS professionals from the same centers completed the resulting 40-item scale. This new instrument produced validity evidence based on the internal structure in a second-order factor model with four components (RMSEA = 0.079, GFI = 0.97, AGFI = 0.97, CFI = 0.97; NFI = 0.95, and NNFI = 0.97); absence of Differential Item Functioning (DIF) in 80% of the items; reliability (α = 0.96); and validity evidence based on relations to other variables, specifically the test-criterion relationship (ρ = 0.680). Finally, we discuss further developments of the instrument and its possible implications for EHS workers. PMID:29403417

Development of a Work Climate Scale in Emergency Health Services.

PubMed

Sanduvete-Chaves, Susana; Lozano-Lozano, José A; Chacón-Moscoso, Salvador; Holgado-Tello, Francisco P

2018-01-01

An adequate work climate fosters productivity in organizations and increases employee satisfaction. Workers in emergency health services (EHS) have an extremely high degree of responsibility and consequent stress. Therefore, it is essential to foster a good work climate in this context. Despite this, scales with a full study of their psychometric properties (i.e., validity evidence based on test content, internal structure and relations to other variables, and reliability) are not available to measure work climate in EHS specifically. For this reason, our objective was to develop a scale to measure the quality of work climates in EHS. We carried out three studies. In Study 1, we used a mixed-method approach to identify the latent conceptual structure of the construct work climate . Thus, we integrated the results found in (a) a previous study, where a content analysis of seven in-depth interviews obtained from EHS professionals in two hospitals in Gibraltar Countryside County was carried out; and (b) the factor analysis of the responses given by 113 EHS professionals from these same centers to 18 items that measured the work climate in health organizations. As a result, we obtained 56 items grouped into four factors (work satisfaction, productivity/achievement of aims, interpersonal relationships, and performance at work). In Study 2, we presented validity evidence based on test content through experts' judgment. Fourteen experts from the methodology and health fields evaluated the representativeness, utility, and feasibility of each of the 56 items with respect to their factor (theoretical dimension). Forty items met the inclusion criterion, which was to obtain an Osterlind index value greater than or equal to 0.5 in the three aspects assessed. In Study 3, 201 EHS professionals from the same centers completed the resulting 40-item scale. This new instrument produced validity evidence based on the internal structure in a second-order factor model with four components ( RMSEA = 0.079, GFI = 0.97, AGFI = 0.97, CFI = 0.97; NFI = 0.95, and NNFI = 0.97); absence of Differential Item Functioning (DIF) in 80% of the items; reliability (α = 0.96); and validity evidence based on relations to other variables, specifically the test-criterion relationship (ρ = 0.680). Finally, we discuss further developments of the instrument and its possible implications for EHS workers.

On the combinatorics of sparsification.

PubMed

Huang, Fenix Wd; Reidys, Christian M

2012-10-22

We study the sparsification of dynamic programming based on folding algorithms of RNA structures. Sparsification is a method that improves significantly the computation of minimum free energy (mfe) RNA structures. We provide a quantitative analysis of the sparsification of a particular decomposition rule, Λ∗. This rule splits an interval of RNA secondary and pseudoknot structures of fixed topological genus. Key for quantifying sparsifications is the size of the so called candidate sets. Here we assume mfe-structures to be specifically distributed (see Assumption 1) within arbitrary and irreducible RNA secondary and pseudoknot structures of fixed topological genus. We then present a combinatorial framework which allows by means of probabilities of irreducible sub-structures to obtain the expectation of the Λ∗-candidate set w.r.t. a uniformly random input sequence. We compute these expectations for arc-based energy models via energy-filtered generating functions (GF) in case of RNA secondary structures as well as RNA pseudoknot structures. Furthermore, for RNA secondary structures we also analyze a simplified loop-based energy model. Our combinatorial analysis is then compared to the expected number of Λ∗-candidates obtained from the folding mfe-structures. In case of the mfe-folding of RNA secondary structures with a simplified loop-based energy model our results imply that sparsification provides a significant, constant improvement of 91% (theory) to be compared to an 96% (experimental, simplified arc-based model) reduction. However, we do not observe a linear factor improvement. Finally, in case of the "full" loop-energy model we can report a reduction of 98% (experiment). Sparsification was initially attributed a linear factor improvement. This conclusion was based on the so called polymer-zeta property, which stems from interpreting polymer chains as self-avoiding walks. Subsequent findings however reveal that the O(n) improvement is not correct. The combinatorial analysis presented here shows that, assuming a specific distribution (see Assumption 1), of mfe-structures within irreducible and arbitrary structures, the expected number of Λ∗-candidates is Θ(n2). However, the constant reduction is quite significant, being in the range of 96%. We furthermore show an analogous result for the sparsification of the Λ∗-decomposition rule for RNA pseudoknotted structures of genus one. Finally we observe that the effect of sparsification is sensitive to the employed energy model.

Comments on the variational modified-hypernetted-chain theory for simple fluids

NASA Astrophysics Data System (ADS)

Rosenfeld, Yaakov

1986-02-01

The variational modified-hypernetted-chain (VMHNC) theory, based on the approximation of universality of the bridge functions, is reformulated. The new formulation includes recent calculations by Lado and by Lado, Foiles, and Ashcroft, as two stages in a systematic approach which is analyzed. A variational iterative procedure for solving the exact (diagrammatic) equations for the fluid structure which is formally identical to the VMHNC is described, featuring the theory of simple classical fluids as a one-iteration theory. An accurate method for calculating the pair structure for a given potential and for inverting structure factor data in order to obtain the potential and the thermodynamic functions, follows from our analysis.

Effect of gradient dielectric coefficient in a functionally graded material (FGM) substrate on the propagation behavior of love waves in an FGM-piezoelectric layered structure.

PubMed

Cao, Xiaoshan; Shi, Junping; Jin, Feng

2012-06-01

The propagation behavior of Love waves in a layered structure that includes a functionally graded material (FGM) substrate carrying a piezoelectric thin film is investigated. Analytical solutions are obtained for both constant and gradient dielectric coefficients in the FGM substrate. Numerical results show that the gradient dielectric coefficient decreases phase velocity in any mode, and the electromechanical coupling factor significantly increases in the first- and secondorder modes. In some modes, the difference in Love waves' phase velocity between these two types of structure might be more than 1%, resulting in significant differences in frequency of the surface acoustic wave devices.

Stress Analysis of Columns and Beam Columns by the Photoelastic Method

NASA Technical Reports Server (NTRS)

Ruffner, B F

1946-01-01

Principles of similarity and other factors in the design of models for photoelastic testing are discussed. Some approximate theoretical equations, useful in the analysis of results obtained from photoelastic tests are derived. Examples of the use of photoelastic techniques and the analysis of results as applied to uniform and tapered beam columns, circular rings, and statically indeterminate frames, are given. It is concluded that this method is an effective tool for the analysis of structures in which column action is present, particularly in tapered beam columns, and in statically indeterminate structures in which the distribution of loads in the structures is influenced by bending moments due to axial loads in one or more members.

A Novel Method of Extraction of Blend Component Structure from SANS Measurements of Homopolymer Bimodal Blends.

PubMed

Smerdova, Olga; Graham, Richard S; Gasser, Urs; Hutchings, Lian R; De Focatiis, Davide S A

2014-05-01

A new method is presented for the extraction of single-chain form factors and interchain interference functions from a range of small-angle neutron scattering (SANS) experiments on bimodal homopolymer blends. The method requires a minimum of three blends, made up of hydrogenated and deuterated components with matched degree of polymerization at two different chain lengths, but with carefully varying deuteration levels. The method is validated through an experimental study on polystyrene homopolymer bimodal blends with [Formula: see text]. By fitting Debye functions to the structure factors, it is shown that there is good agreement between the molar mass of the components obtained from SANS and from chromatography. The extraction method also enables, for the first time, interchain scattering functions to be produced for scattering between chains of different lengths. [Formula: see text].

Quantum chemical study of the inhibition of the corrosion of mild steel in H2SO4 by some antibiotics.

PubMed

Eddy, Nnabuk O; Ibok, Udo J; Ebenso, Eno E; El Nemr, Ahmed; El Ashry, El Sayed H

2009-09-01

The inhibition efficiency of some antibiotics against mild steel corrosion was studied using weight loss and quantum chemical techniques. Values of inhibition efficiency obtained from weight loss measurements correlated strongly with theoretical values obtained through semi empirical calculations. High correlation coefficients were also obtained between inhibition efficiency of the antibiotics and some quantum chemical parameters, including frontier orbital (E (HOMO) and E (LUMO)), dipole moment, log P, TNC and LSER parameters (critical volume and dipolar-polarisability factor), which indicated that these parameters affect the inhibition efficiency of the compounds. It was also found that quantitative structure activity relation can be used to adequately predict the inhibition effectiveness of these compounds.

FDTD simulations of localization and enhancements on fractal plasmonics nanostructures.

PubMed

Buil, Stéphanie; Laverdant, Julien; Berini, Bruno; Maso, Pierre; Hermier, Jean-Pierre; Quélin, Xavier

2012-05-21

A parallelized 3D FDTD (Finite-Difference Time-Domain) solver has been used to study the near-field electromagnetic intensity upon plasmonics nanostructures. The studied structures are obtained from AFM (Atomic Force Microscopy) topography measured on real disordered gold layers deposited by thermal evaporation under ultra-high vacuum. The simulation results obtained with these 3D metallic nanostructures are in good agreement with previous experimental results: the localization of the electromagnetic intensity in subwavelength areas ("hot spots") is demonstrated; the spectral and polarization dependences of the position of these "hot spots" are also satisfactory; the enhancement factors obtained are realistic compared to the experimental ones. These results could be useful to further our understanding of the electromagnetic behavior of random metal layers.

A Novel Approach to Data Collection for Difficult Structures: Data Management for Large Numbers of Crystals with the BLEND Software.

PubMed

Mylona, Anastasia; Carr, Stephen; Aller, Pierre; Moraes, Isabel; Treisman, Richard; Evans, Gwyndaf; Foadi, James

2017-08-04

The present article describes how to use the computer program BLEND to help assemble complete datasets for the solution of macromolecular structures, starting from partial or complete datasets, derived from data collection from multiple crystals. The program is demonstrated on more than two hundred X-ray diffraction datasets obtained from 50 crystals of a complex formed between the SRF transcription factor, its cognate DNA, and a peptide from the SRF cofactor MRTF-A. This structure is currently in the process of being fully solved. While full details of the structure are not yet available, the repeated application of BLEND on data from this structure, as they have become available, has made it possible to produce electron density maps clear enough to visualise the potential location of MRTF sequences.

A Damage Tolerance Comparison of Composite Hat-Stiffened and Honeycomb Sandwich Structure for Launch Vehicle Interstage Applications

NASA Technical Reports Server (NTRS)

Nettles, A. T.

2011-01-01

In this study, a direct comparison of the compression-after-impact (CAI) strength of impact-damaged, hat-stiffened and honeycomb sandwich structure for launch vehicle use was made. The specimens used consisted of small substructure designed to carry a line load of approx..3,000 lb/in. Damage was inflicted upon the specimens via drop weight impact. Infrared thermography was used to examine the extent of planar damage in the specimens. The specimens were prepared for compression testing to obtain residual compression strength versus damage severity curves. Results show that when weight of the structure is factored in, both types of structure had about the same CAI strength for a given damage level. The main difference was that the hat-stiffened specimens exhibited a multiphase failure whereas the honeycomb sandwich structure failed catastrophically.

A Novel Approach to Data Collection for Difficult Structures: Data Management for Large Numbers of Crystals with the BLEND Software

PubMed Central

Mylona, Anastasia; Carr, Stephen; Aller, Pierre; Moraes, Isabel; Treisman, Richard; Evans, Gwyndaf; Foadi, James

2018-01-01

The present article describes how to use the computer program BLEND to help assemble complete datasets for the solution of macromolecular structures, starting from partial or complete datasets, derived from data collection from multiple crystals. The program is demonstrated on more than two hundred X-ray diffraction datasets obtained from 50 crystals of a complex formed between the SRF transcription factor, its cognate DNA, and a peptide from the SRF cofactor MRTF-A. This structure is currently in the process of being fully solved. While full details of the structure are not yet available, the repeated application of BLEND on data from this structure, as they have become available, has made it possible to produce electron density maps clear enough to visualise the potential location of MRTF sequences. PMID:29456874

Brain structural changes following adaptive cognitive training assessed by Tensor-Based Morphometry (TBM)

PubMed Central

Colom, Roberto; Hua, Xue; Martínez, Kenia; Burgaleta, Miguel; Román, Francisco J.; Gunter, Jeffrey L.; Carmona, Susanna; Jaeggi, Susanne M.; Thompson, Paul M.

2016-01-01

Tensor-Based Morphometry (TBM) allows the automatic mapping of brain changes across time building 3D deformation maps. This technique has been applied for tracking brain degeneration in Alzheimer's and other neurodegenerative diseases with high sensitivity and reliability. Here we applied TBM to quantify changes in brain structure after completing a challenging adaptive cognitive training program based on the n-back task. Twenty-six young women completed twenty-four training sessions across twelve weeks and they showed, on average, large cognitive improvements. High-resolution MRI scans were obtained before and after training. The computed longitudinal deformation maps were analyzed for answering three questions: (a) Are there differential brain structural changes in the training group as compared with a matched control group? (b) Are these changes related to performance differences in the training program? (c) Are standardized changes in a set of psychological factors (fluid and crystallized intelligence, working memory, and attention control) measured before and after training, related to structural changes in the brain? Results showed (a) greater structural changes for the training group in the temporal lobe, (b) a negative correlation between these changes and performance across training sessions (the greater the structural change, the lower the cognitive performance improvements), and (c) negligible effects regarding the psychological factors measured before and after training. PMID:27477628

Assessment of Computer Literacy of Nurses in Lesotho.

PubMed

Mugomeri, Eltony; Chatanga, Peter; Maibvise, Charles; Masitha, Matseliso

2016-11-01

Health systems worldwide are moving toward use of information technology to improve healthcare delivery. However, this requires basic computer skills. This study assessed the computer literacy of nurses in Lesotho using a cross-sectional quantitative approach. A structured questionnaire with 32 standardized computer skills was distributed to 290 randomly selected nurses in Maseru District. Univariate and multivariate logistic regression analyses in Stata 13 were performed to identify factors associated with having inadequate computer skills. Overall, 177 (61%) nurses scored below 16 of the 32 skills assessed. Finding hyperlinks on Web pages (63%), use of advanced search parameters (60.2%), and downloading new software (60.1%) proved to be challenging to the highest proportions of nurses. Age, sex, year of obtaining latest qualification, computer experience, and work experience were significantly (P < .05) associated with inadequate computer skills in univariate analysis. However, in multivariate analyses, sex (P = .001), year of obtaining latest qualification (P = .011), and computer experience (P < .001) emerged as significant factors. The majority of nurses in Lesotho have inadequate computer skills, and this is significantly associated with having many years since obtaining their latest qualification, being female, and lack of exposure to computers. These factors should be considered during planning of training curriculum for nurses in Lesotho.

Leading multi-soft limits from scattering equations

NASA Astrophysics Data System (ADS)

Zlotnikov, Michael

2017-10-01

A Cachazo-He-Yuan (CHY) type formula is derived for the leading gluon, bi-adjoint scalar ϕ 3, Yang-Mills-scalar and non-linear sigma model m-soft factors S m in arbitrary dimension. The general formula is used to evaluate explicit examples for up to three soft legs analytically and up to four soft legs numerically via comparison with amplitude ratios under soft kinematics. A structural pattern for gluon m-soft factor is inferred and a simpler formula for its calculation is conjectured. In four dimensions, a Cachazo-Svrček-Witten (CSW) recursive procedure producing the leading m-soft gluon factor in spinor helicity formalism is developed as an alternative, and Britto-Cachazo-Feng-Witten (BCFW) recursion is used to obtain the leading four-soft gluon factor for all analytically distinct helicity configurations.

Full-scale testing, production and cost analysis data for the advanced composite stabilizer for Boeing 737 aircraft. Volume 1: Technical summary

NASA Technical Reports Server (NTRS)

Aniversario, R. B.; Harvey, S. T.; Mccarty, J. E.; Parsons, J. T.; Peterson, D. C.; Pritchett, L. D.; Wilson, D. R.; Wogulis, E. R.

1983-01-01

The full scale ground test, ground vibration test, and flight tests conducted to demonstrate a composite structure stabilizer for the Boeing 737 aircraft and obtain FAA certification are described. Detail tools, assembly tools, and overall production are discussed. Cost analyses aspects covered include production costs, composite material usage factors, and cost comparisons.

Capturing the Interaction Potential of Amyloidogenic Proteins

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

Javid, Nadeem; Vogtt, Karsten; Winter, Roland

2007-07-13

Experimentally derived static structure factors obtained for the aggregation-prone protein insulin were analyzed with a statistical mechanical model based on the Derjaguin-Landau-Verwey-Overbeek potential. The data reveal that the protein self-assembles into equilibrium clusters already at low concentrations. Furthermore, striking differences regarding interaction forces between aggregation-prone proteins such as insulin in the preaggregated regime and natively stable globular proteins are found.

Space shuttle cavity assessment test program

NASA Technical Reports Server (NTRS)

Scheps, P. B.

1976-01-01

In order to obtain basic radiation properties of the radiator/payload bay door cavity, three tests were conducted on a full-size structural simulator of the cavity. There were three tests conducted: (1) CATA used for determination of exchange factors, absorbed solar flux, and door covering influences, (2) quartz lamp array calibrated to provide IR flux distribution on CATA, and (3) retest with radiometer array for background flux measurement.

Characterization of a Dopaminergic Stimulatory Factor Derived From Monoclonal Cell Lines of Striatal Origin

DTIC Science & Technology

2005-12-01

purification scheme that appears most advantageous. The purest product obtained will be subjected to NMR analysis by Josh Kurutz and mass spectroscopy by...Phosphoenolpyruvate carboxykinase 2 Phosphomevalonate kinase Protein phosphatase 1A, magnesium dependent, alpha isoform Uridine- cytidine kinase 1-like 1...more purified preparation should permit structural analysis of the molecules responsible for the activity using mass spectroscopy and nuclear

Gain and refractive index dynamics in p-doped InAs quantum dash semiconductor optical amplifiers

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

Komolibus, Katarzyna; Tyndall National Institute, University College Cork, Cork T12 R5CP; Piwonski, Tomasz, E-mail: tomasz.piwonski@tyndall.ie

The ultrafast carrier dynamics in a p-doped dash-in-a-well structure at 1.5 μm is experimentally investigated. An analysis of the timescales related to carrier relaxation and escape processes as well as the “dynamical” linewidth enhancement factor is presented and compared with results obtained from similar un-doped materials. Intentional p-doping of the active region results in an enhancement of the intermediate timescale of the gain dynamics associated with phonon-assisted electron capture and a reduction of the α-factor due to increased differential gain.

Effects of biomotor structures on performance of competitive gymnastics elements in elementary school male sixth-graders.

PubMed

Delas, Suncica; Zagorac, Nebojsa; Katić, Ratko

2008-06-01

In order to identify the biomotor systems that determine performance of competitive gymnastics elements in elementary school male sixth-graders, factor structures of morphological characteristics and basic motor abilities were determined first, followed by relations of the morphological-motor system factors obtained with a set of criterion variables evaluating specific motor skills in competitive gymnastics in 110 male children aged 12 years +/- 3 months. Factor analysis of 17 morphological measures produced three morphological factors: factor of mesoectoendomorphy (general morphological factor) and factor of pronounced endomorphy, i.e. excessive adipose tissue, along with low skeleton longitudinality. Factor analysis of 16 motor variables yielded four motor factors: factor of general motoricity; factor integrating leg flexibility and arm explosiveness; factor juxtaposing body flexibility and repetitive leg strength; and factor predominantly defining leg movement frequency. Three significant canonical correlations, i.e. linear combinations, explained the association between the set of six latent variables of the morphological and basic motor system, and five variables assessing the knowledge in competitive gymnastics. The first canonical linear combination was based on the favorable and predominant impact of the general motor factor (a system integrating leg explosiveness, whole body coordination, relative arm and trunk strength, and arm movement frequency), along with unfavorable effect of morphological factors on the gymnastics elements performance, squat vault and handstand in particular The relation of the second pair of canonical factors pointed to the effects of leg flexibility and arm explosiveness on the cartwheel and backward pullover mount performance, whereas the relation of the third pair of canonical factors showed a favorable impact of the general morphological factor and leg movement frequency regulator on the forward shoulderkip from increase, cartwheel and handstand performance.

A functional probe with bowtie aperture and bull's eye structure for nanolithograph

NASA Astrophysics Data System (ADS)

Wang, Shuo; Li, Xu-Feng; Wang, Qiao; Guo, Ying-Yan; Pan, Shi

2012-10-01

The bowtie aperture surrounded by concentric gratings (the bull's eye structure) integrated on the near-field scanning optical microscopy (NSOM) probe (aluminum coated fiber tip) for nanolithography has been investigated using the finite-difference time domain (FDTD) method. By modifying the parameters of the bowtie aperture and the concentric gratings, a maximal field enhancement factor of 391.69 has been achieved, which is 18 times larger than that obtained from the single bowtie aperture. Additionally, the light spot depends on the gap size of the bowtie aperture and can be confined to sub-wavelength. The superiority of the combination of the bowtie aperture and the bull's eye structure is confirmed, and the mechanism for the electric field enhancement in this derived structure is analyzed.

[Comparative analysis of the genetic structure of Red Polish cattle in Poland and the Ukraine].

PubMed

Oblap, R V; Zvezhkhovski, L; Ivanchenko, E V; Glazko, V I

2002-01-01

Comparative analysis of genetic structure of two groups of Red Polish cattle, which reproduce in Poland and Ukraine, was made. Six molecular-genetic markers (kappa-casein, beta-lactoglobulin, leptin, myostatin, growth hormone, and pituitary-specific transcription factor Pit-I) were tested by PCR-RFLP. No significant differences between the considered intrabreed groups were found. High frequency of some alleles (Csn kappa B, Blg B, and Gh L) related to the important productivity traits were observed. The rare alleles in some genes were revealed. The obtained results are evidence of the unique characteristics of the investigated breed.

Spatial structure of the magnetic field induced by an infrasonic wave in the oceanic waveguide

NASA Astrophysics Data System (ADS)

Semkin, S. V.; Smagin, V. P.

2012-05-01

The magnetic field generated by an acoustic wave propagating in the oceanic waveguide has been considered. The effect of the self-induction factor on the spatial structure of this field has been studied. It has been indicated that there exists a frequency range where it is necessary to take into consideration self-induction. It has been indicated that the induced field is most substantial at frequencies when only the first normal mode exists. The dependences of the induced field on the depth, frequency, and geomagnetic field direction have been obtained and analyzed for this frequency range.

Impulsivity, Mental Disorder, and Suicide in Rural China.

PubMed

Lin, Lin; Zhang, Jie

2017-01-02

The purpose of this study was to investigate the relationship among impulsivity, mental disorder, and suicide with a sample of rural young Chinese. Subjects were 392 consecutively recruited male and female suicides aged 15-34 years and 416 community male and female controls of the same age range sampled in rural China. The case-control data were obtained using psychological autopsy with structured and semi-structured instruments. Dysfunctional impulsivity was a significant risk factor regardless of mental disorder in rural China. Dysfunctional impulsivity is a potential area for further study of suicidal behavior. The suicide prevention efforts in rural China may address impulsivity.

A scoring function based on solvation thermodynamics for protein structure prediction

PubMed Central

Du, Shiqiao; Harano, Yuichi; Kinoshita, Masahiro; Sakurai, Minoru

2012-01-01

We predict protein structure using our recently developed free energy function for describing protein stability, which is focused on solvation thermodynamics. The function is combined with the current most reliable sampling methods, i.e., fragment assembly (FA) and comparative modeling (CM). The prediction is tested using 11 small proteins for which high-resolution crystal structures are available. For 8 of these proteins, sequence similarities are found in the database, and the prediction is performed with CM. Fairly accurate models with average Cα root mean square deviation (RMSD) ∼ 2.0 Å are successfully obtained for all cases. For the rest of the target proteins, we perform the prediction following FA protocols. For 2 cases, we obtain predicted models with an RMSD ∼ 3.0 Å as the best-scored structures. For the other case, the RMSD remains larger than 7 Å. For all the 11 target proteins, our scoring function identifies the experimentally determined native structure as the best structure. Starting from the predicted structure, replica exchange molecular dynamics is performed to further refine the structures. However, we are unable to improve its RMSD toward the experimental structure. The exhaustive sampling by coarse-grained normal mode analysis around the native structures reveals that our function has a linear correlation with RMSDs < 3.0 Å. These results suggest that the function is quite reliable for the protein structure prediction while the sampling method remains one of the major limiting factors in it. The aspects through which the methodology could further be improved are discussed. PMID:27493529

Method for obtaining structure and interactions from oriented lipid bilayers

PubMed Central

Lyatskaya, Yulia; Liu, Yufeng; Tristram-Nagle, Stephanie; Katsaras, John; Nagle, John F.

2009-01-01

Precise calculations are made of the scattering intensity I(q) from an oriented stack of lipid bilayers using a realistic model of fluctuations. The quantities of interest include the bilayer bending modulus Kc , the interbilayer interaction modulus B, and bilayer structure through the form factor F(qz). It is shown how Kc and B may be obtained from data at large qz where fluctuations dominate. Good estimates of F(qz) can be made over wide ranges of qz by using I(q) in q regions away from the peaks and for qr≠0 where details of the scattering domains play little role. Rough estimates of domain sizes can also be made from smaller qz data. Results are presented for data taken on fully hydrated, oriented DOPC bilayers in the Lα phase. These results illustrate the advantages of oriented samples compared to powder samples. PMID:11304287

Stage-Structured Population Dynamics of AEDES AEGYPTI

NASA Astrophysics Data System (ADS)

Yusoff, Nuraini; Budin, Harun; Ismail, Salemah

Aedes aegypti is the main vector in the transmission of dengue fever, a vector-borne disease affecting world population living in tropical and sub-tropical countries. Better understanding of the dynamics of its population growth will help in the efforts of controlling the spread of this disease. In looking at the population dynamics of Aedes aegypti, this paper explored the stage-structured modeling of the population growth of the mosquito using the matrix population model. The life cycle of the mosquito was divided into five stages: eggs, larvae, pupae, adult1 and adult2. Developmental rates were obtained for the average Malaysian temperature and these were used in constructing the transition matrix for the matrix model. The model, which was based only on temperature, projected that the population of Aedes aegypti will blow up with time, which is not realistic. For further work, other factors need to be taken into account to obtain a more realistic result.

Adsorption of polyethyleneimine and polymethacrylic acid onto synthesized hematite.

PubMed

Chibowski, S; Patkowski, J; Grzadka, E

2009-01-01

An influence of different functional groups of polymer, its molecular weight, polydispersity ratio (M(w)/M(n)) and presence of impurities on its adsorption in different pH values (3, 6 and 9) onto synthesized hematite (Fe(2)O(3)) was measured. A structure of adsorbed macromolecules of PMA and PEI was obtained according to S-F theory. Two polymers were used: polymethacrylic acid (PMA) of 6500 and 75,100 molecular weight as well as polyethyleneimine (PEI) 25,000 commercial and fractionated. Electrokinetic properties of the interface oxide-polymer solution (surface charge density and zeta potential) were also measured as well as adsorption layer thicknesses (with use of viscosimetric measurements). Obtained data show, that all above-mentioned factors do influence not only the adsorption process itself but also a surface charge, zeta potential and structure of adsorbed polymer layers on polymer/hematite interface.

Protein crystallization: Eluding the bottleneck of X-ray crystallography

PubMed Central

Holcomb, Joshua; Spellmon, Nicholas; Zhang, Yingxue; Doughan, Maysaa; Li, Chunying; Yang, Zhe

2017-01-01

To date, X-ray crystallography remains the gold standard for the determination of macromolecular structure and protein substrate interactions. However, the unpredictability of obtaining a protein crystal remains the limiting factor and continues to be the bottleneck in determining protein structures. A vast amount of research has been conducted in order to circumvent this issue with limited success. No single method has proven to guarantee the crystallization of all proteins. However, techniques using antibody fragments, lipids, carrier proteins, and even mutagenesis of crystal contacts have been implemented to increase the odds of obtaining a crystal with adequate diffraction. In addition, we review a new technique using the scaffolding ability of PDZ domains to facilitate nucleation and crystal lattice formation. Although in its infancy, such technology may be a valuable asset and another method in the crystallography toolbox to further the chances of crystallizing problematic proteins. PMID:29051919

Effet de l'énergie du faisceau d'ions servant à l'assistance du dépôt de matériaux organiques utilisés pour réaliser des diodes électroluminescentes

NASA Astrophysics Data System (ADS)

Antony, R.; Moliton, A.; Ratier, B.

1998-06-01

Light emitting diode based on the structure ITO/Alq3/Ca-Al lead to enhanced quantum efficiency when the Alq3 active layer is obtained by IBAD (Ion Beam Assisted Deposition): with Iodine ions, the optimization (quantum efficiency multiplied by a factor10) is obtained for an ion energy equal to 100eV. La réalisation de diodes électroluminescentes basées sur la structure ITO/Alq3/Ca-Al conduit à des performances améliorées lorsque le dépôt de la couche active Alq3 est effectué avec l'assistance d'un faisceau d'ions; l'optimisation (rendement quantique interne accru d'un ordre de grandeur) correspond à des ions Iode d'énergie 100eV.

TGA, Hirshfeld, Raman spectroscopy and computational studies of diethylammonium hexachloroplumbate [(C2H5)2NH2]2PbCl6

NASA Astrophysics Data System (ADS)

Ouasri, A.; El-Adel, L.; Zouihri, H.; Rhandour, A.; Jalbout, A. F.

2018-04-01

Diethylammonium hexachloroplumbate [(C2H5)2NH2]2PbCl6 was found to be monoclinic with P21/n (Z = 2) as space group at room temperature. The TGA analysis shows that this compound is slightly hygroscopic and presents moisture in itself. The Raman spectrum (50-4000 cm-1) of this compound recorded at room temperature was discussed on the basis of the factor group analysis using the structural data obtained recently [5]. The experimental frequencies are compared to those obtained by Density Functional Theory (DFT) by using the B3LYP functional and the 6-31G(d) (SDD) basis set. The thermodynamic properties and geometries of this compound have been determinated and characterized. The significant intermolecular interactions in the crystal structure are identified and analyzed using the Hirshfeld surface and fingerprint plots computational methods.

Mutation of Surface Residues to Promote Crystallization of Activated Factor XI as a Complex with Benzamidine: an Essential Step for the Iterative Structure-Based Design of Factor XI Inhibitors

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

Jin,L.; Pandey, P.; Babine, R.

Activated factor XI (FXIa) is a key enzyme in the amplification phase of the blood-coagulation cascade. Thus, a selective FXIa inhibitor may have lesser bleeding liabilities and provide a safe alternative for antithrombosis therapy to available drugs on the market. In a previous report, the crystal structures of the catalytic domain of FXIa (rhFXI370-607) in complex with various ecotin mutants have been described [Jin et al. (2005), Journal of Biological Chemistry 280, 4704-4712]. However, ecotin forms a matrix-like interaction with rhFXI370-607 and is impossible to displace with small-molecule inhibitors; ecotin crystals are therefore not suitable for iterative structure-based ligand design.more » In addition, rhFXI370-607 did not crystallize in the presence of small-molecule ligands. In order to obtain the crystal structure of rhFXI370-607 with a weak small-molecule ligand, namely benzamidine, several rounds of surface-residue mutation were implemented to promote crystal formation of rhFXI370-607. A quadruple mutant of rhFXI370-607 (rhFXI370-607-S434A, T475A, C482S, K437A) readily crystallized in the presence of benzamidine. The benzamidine in the preformed crystals was easily exchanged with other FXIa small-molecule inhibitors. These crystals have facilitated the structure-based design of small-molecule FXIa inhibitors.« less

Psychometric Evaluation of the Altered States of Consciousness Rating Scale (OAV)

PubMed Central

Studerus, Erich; Gamma, Alex; Vollenweider, Franz X.

2010-01-01

Background The OAV questionnaire has been developed to integrate research on altered states of consciousness (ASC). It measures three primary and one secondary dimensions of ASC that are hypothesized to be invariant across ASC induction methods. The OAV rating scale has been in use for more than 20 years and applied internationally in a broad range of research fields, yet its factorial structure has never been tested by structural equation modeling techniques and its psychometric properties have never been examined in large samples of experimentally induced ASC. Methodology/Principal Findings The present study conducted a psychometric evaluation of the OAV in a sample of psilocybin (n = 327), ketamine (n = 162), and MDMA (n = 102) induced ASC that was obtained by pooling data from 43 experimental studies. The factorial structure was examined by confirmatory factor analysis, exploratory structural equation modeling, hierarchical item clustering (ICLUST), and multiple indicators multiple causes (MIMIC) modeling. The originally proposed model did not fit the data well even if zero-constraints on non-target factor loadings and residual correlations were relaxed. Furthermore, ICLUST suggested that the “oceanic boundlessness” and “visionary restructuralization” factors could be combined on a high level of the construct hierarchy. However, because these factors were multidimensional, we extracted and examined 11 new lower order factors. MIMIC modeling indicated that these factors were highly measurement invariant across drugs, settings, questionnaire versions, and sexes. The new factors were also demonstrated to have improved homogeneities, satisfactory reliabilities, discriminant and convergent validities, and to differentiate well among the three drug groups. Conclusions/Significance The original scales of the OAV were shown to be multidimensional constructs. Eleven new lower order scales were constructed and demonstrated to have desirable psychometric properties. The new lower order scales are most likely better suited to assess drug induced ASC. PMID:20824211

Subduction structure beneath the eastern part of the Kii Peninsula, southwestern Japan, revealed by dense seismic array observation

NASA Astrophysics Data System (ADS)

Kurashimo, E.; Iidaka, T.; Tsumura, N.; Iwasaki, T.

2016-12-01

The Nankai trough region, where the Philippine Sea Plate (PHS) subducts beneath the SW Japan arc, is a well-known seismogenic zone of interplate earthquakes. In recent years, various slip motions with a different time scale, including episodic tremors and very low-frequency earthquakes have been recognized at or near the updip and downdip limits of seismogenic zone [e.g., Obara, 2002; Ito and Obara, 2006]. Revealing structural factors that control the fault slip behavior is important to understand the earthquake rupture dynamics. In 2006, active-source seismic experiment was conducted to obtain the subduction structure beneath the eastern part of the Kii Peninsula [Iwasaki et al., 2008]. Iwasaki et al. (2008) provided the geometry of the subducting PHS and the overlying crustal structure. However, little is known about the deeper part of the plate boundary, especially Vp/Vs structure in and around the source region of the tremor. Previous studies indicate the fluid pressure on a plate interface is one of the key factors to understand the fault slip process [e.g., Saffer and Tobin, 2011]. Seismic velocity variation provides important information on the fluid-related heterogeneous structure. Passive seismic data is useful to obtain a deep image including the S-wave velocity. Therefore, we conducted passive seismic experiment in the eastern part of the Kii Peninsula. Ninety 3-component portable seismographs were installed on a 90-km-long line nearly parallel to the direction of the subduction of the PHS. Waveforms were continuously recorded during a six-month period from May, 2015. Seismic data from 116 permanent stations around the survey line were also incorporated into our analysis to obtain a high-resolution velocity model. Arrival times of 356 local earthquakes were used in a joint inversion for earthquake locations and 3-D Vp and Vp/Vs structures. Velocity structures are resolved down to 50 km depth. Clustered tremors are located in and around the low Vp and high Vp/Vs zone. Reported strong reflector interpreted to be the top of the PHS [Iwasaki et al., 2008] well corresponds to the top of the low Vp and high Vp/Vs zone. The low Vp and high Vp/Vs zone generally suggests the existence of fluid (e.g., Zhao et al., 1996). These results suggest the occurrence of the tremors may be associated with fluids dehydrated from the PHS.

Tortuosity Computations of Porous Materials using the Direct Simulation Monte Carlo

NASA Technical Reports Server (NTRS)

Borner, A.; Ferguson, C.; Panerai, F.; Mansour, Nagi N.

2017-01-01

Low-density carbon fiber preforms, used as thermal protection systems (TPS) materials for planetary entry systems, have permeable, highly porous microstructures consisting of interlaced fibers. Internal gas transport in TPS is important in modeling the penetration of hot boundary-layer gases and the in-depth transport of pyrolysis and ablation products. The gas effective diffusion coefficient of a porous material must be known before the gas transport can be modeled in material response solvers; however, there are very little available data for rigid fibrous insulators used in heritage TPS.The tortuosity factor, which reflects the efficiency of the percolation paths, can be computed from the effective diffusion coefficient of a gas inside a porous material and is based on the micro-structure of the material. It is well known, that the tortuosity factor is a strong function of the Knudsen number. Due to the small characteristic scales of porous media used in TPS applications (typical pore size of the order of 50 micron), the transport of gases can occur in the rarefied and transitional regimes, at Knudsen numbers above 1. A proper way to model the gas dynamics at these conditions consists in solving the Boltzmann equation using particle-based methods that account for movement and collisions of atoms and molecules.In this work we adopt, for the first time, the Direct Simulation Monte Carlo (DSMC) method to compute the tortuosity factor of fibrous media in the rarefied regime. To enable realistic simulations of the actual transport of gases in the porous medium, digitized computational grids are obtained from X-ray micro-tomography imaging of real TPS materials. The SPARTA DSMC solver is used for simulations. Effective diffusion coefficients and tortuosity factors are obtained by computing the mean-square displacement of diffusing particles.We first apply the method to compute the tortuosity factors as a function of the Knudsen number for computationally designed materials such as random cylindrical fibers and packed bed of spheres with prescribed porosity. Results are compared to literature values obtained using random walk methods in the rarefied and transitional regime and a finite-volume method for the continuum regime. We then compute tortuosity factors for a real carbon fiber material with a transverse isotropic structure (FiberForm), quantifying differences between through-thickness and in-plain tortuosities at various Knudsen regimes.

Feasibility of one-shot-per-crystal structure determination using Laue diffraction

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

Cornaby, Sterling; CHESS; Szebenyi, Doletha M. E.

Structure determination was successfully carried out using single Laue exposures from a group of lysozyme crystals. The Laue method may be a viable option for collection of one-shot-per-crystal data from microcrystals. Crystal size is an important factor in determining the number of diffraction patterns which may be obtained from a protein crystal before severe radiation damage sets in. As crystal dimensions decrease this number is reduced, eventually falling to one, at which point a complete data set must be assembled using data from multiple crystals. When only a single exposure is to be collected from each crystal, the polychromatic Lauemore » technique may be preferable to monochromatic methods owing to its simultaneous recording of a large number of fully recorded reflections per image. To assess the feasibility of solving structures using single Laue images from multiple crystals, data were collected using a ‘pink’ beam at the CHESS D1 station from groups of lysozyme crystals with dimensions of the order of 20–30 µm mounted on MicroMesh grids. Single-shot Laue data were used for structure determination by molecular replacement and correct solutions were obtained even when as few as five crystals were used.« less

Structural and thermoelectric properties of A-site substituted (Sr1-x-yCaxNdy)TiO3 perovskites

NASA Astrophysics Data System (ADS)

Somaily, Hamoud H.

Detailed structural results and models are reported for a special class of A-site substituted perovskites, (Sr1-x-yCaxNd y)TiO3, obtained with high resolution NPD data as a function of temperature and Nd composition. Two series with various A-site concentrations were synthesized and investigated. Each series was designed to have a nominally constant tolerance factor. At room temperature (RT), I determine the space groups of the Sr-rich and Sr poor series as being tetragonal I4/mcm and orthorhombic Pbnm, respectively. The RT structures remain unchanged upon increasing the Nd3+ content. However, three different orthorhombic phases, Pbnm, Ibmm, Pbcm, are determined for the Sr-rich series as a function of decreasing temperature; whereas, for the Sr-poor series the orthorhombic Pbnm structure is found to persist throughout the full range of measured temperatures. A phase diagram is constructed and proposed in the temperature range 0-1000 K. Thermoelectric properties of (Sr 1-x-yCaxNdy)TiO3 were also investigated and the best figure of merit ZT=0.07 was obtained with the Sr-rich series.

German Validation of the Conners 3® Rating Scales for Parents, Teachers, and Children.

PubMed

Christiansen, Hanna; Hirsch, Oliver; Drechsler, Renate; Wanderer, Sina; Knospe, Eva-Lotte; Günther, Thomas; Lidzba, Karen

2016-01-01

Attention-deficit/hyperactivity disorder (ADHD) rating scales such as the Conners’ Rating Scales (CRS) are valuable adjuncts for diagnosis, since they offer parent, teacher, and self-ratings of children susceptible for ADHD. Even though the scales are widely used internationally, cross-cultural comparability has rarely been verified, and culture and language invariance have only been presumed. The Conners 3(®) rating scales are the updated version of the CRS, though hardly any studies report the psychometric properties apart from the results published in the test edition itself. To our knowledge there are no studies on the various adaptations of the Conners 3(®) in other languages. The German translations of the Conners 3(®) were completed by 745 children, 953 parents, and 741 teachers (children’s age range: 6–18 years, mean: 11.74 years of age). Exploratory and confirmatory factor analyses on content scale items were conducted to obtain the factor structure for the German version and to replicate the factor structure of the original American models. Cronbach’s α was calculated to establish internal consistency. The exploratory analyses for the German model resulted in factor structures globally different from the American model, though confirmatory analyses revealed very good model fi ts with highly satisfying Cronbach’s αs. We were able to provide empirical evidence for the subscale Inattention which had only hypothetically been derived by Conners (2008). Even though the exploratory analyses resulted in different factor structures, the confirmatory analyses have such excellent psychometric properties that use of the German adaptation of the Conners 3(®) is justifi ed in international multicenter studies.

Universal behavior of the γ⁎γ→(π0,η,η′) transition form factors

PubMed Central

Melikhov, Dmitri; Stech, Berthold

2012-01-01

The photon transition form factors of π, η and η′ are discussed in view of recent measurements. It is shown that the exact axial anomaly sum rule allows a precise comparison of all three form factors at high-Q2 independent of the different structures and distribution amplitudes of the participating pseudoscalar mesons. We conclude: (i) The πγ form factor reported by Belle is in excellent agreement with the nonstrange I=0 component of the η and η′ form factors obtained from the BaBar measurements. (ii) Within errors, the πγ form factor from Belle is compatible with the asymptotic pQCD behavior, similar to the η and η′ form factors from BaBar. Still, the best fits to the data sets of πγ, ηγ, and η′γ form factors favor a universal small logarithmic rise Q2FPγ(Q2)∼log(Q2). PMID:23226917

Structural phase composition and effectiveness of gas-dynamic spraying of hybrid coatings based on AlMg2 nanocrystalline matrix reinforced with graphene-like structures and micro-size corundum

NASA Astrophysics Data System (ADS)

Aborkin, A. V.; Sobol'kov, A. V.; Elkin, A. I.; Arkhipov, V. E.

2018-01-01

The method of cold gas-dynamic spraying of mechanically synthesized powders based on a nanocrystalline AlMg2 matrix reinforced with graphene-like structures and micro-sized corundum particles was used for obtaining hybrid coatings. A feature of the formed coatings is the presence of a two-level micro- and nanocomposite structure. It was found that an increase in the content of corundum microdimensional particles in the mixture from 10 to 30% by weight contributes to an increase in the thickness of the coating obtained at the same time by a factor of 2 from 140 to 310 μm. Further increase in the content of a mixture of micron-sized corundum particles to 50% by weight leads to a decrease in the thickness of the coating formed to 40 μm. The resulting coatings correspond to a high microhardness, varying depending on the composition in the range from 1.7 GPa to 3.2 GPa. The high hardness of the coatings is due to the increase in the hardness of the matrix material due to the creation of a nanocomposite structure, which increases the strength of fixing micro-sized corundum particles therein, improving the characteristics of the heterogeneous coating as a whole.

Three dimensional ultrasonography for advanced neurosonography (Neurosofe-3d). Analysis of acquisition-related factors influencing the quality of the brain volumes.

PubMed

Maiz, Nerea; Alonso, Ignacio; Belar, María; Burgos, Jorge; Irasarri, Ana; Molina, Francisca S; de Paco, Catalina; Pijoan, José I; Plasencia, Walter; Rodó, Carlota; Rodríguez, M Angeles; Tajada, Mauricio; Tubau, Albert

2016-11-01

To evaluate the acquisition-related factors influencing the quality of the brain volumes for further study of advanced neurosonography. This was a prospective multicentre study. Five centres were asked to include five cases each, acquiring two volumes per case, at different gestational ages. Ten operators performed an advanced neurosonography per case. The potential influence of the following factors on the number of evaluable structures was assessed: vaginal/ abdominal acquisition, position of the head, gestational age, subjective quality of the volume and the acquiring operator itself. Four hundred and thirty-two evaluations were included in the study. A total of 80% of the structures were evaluated satisfactorily in the axial plane, 67.1% and 55.1% in the coronal and sagittal plane, respectively. Sagittal volumes acquired transvaginally had a better quality than those acquired transabdominally. Gestational age affected the quality of axial and sagittal volumes (p < 0.001), and the best quality was obtained between 20 and 27 weeks. In axial and sagittal volumes, the head position influenced the percentage of structures visualized (p < 0.001, p < 0.001). Factors affecting the quality of the volume for advanced neurosonography are gestational age, fetal head position, transvaginal acquisition in sagittal volumes, the acquiring operator and the subjective quality of the volume. © 2016 John Wiley & Sons, Ltd. © 2016 John Wiley & Sons, Ltd.

Ethnic Identity and Regional Differences in Mental Health in a National Sample of African American Young Adults.

PubMed

Williams, Monnica T; Duque, Gerardo; Wetterneck, Chad T; Chapman, L Kevin; DeLapp, Ryan C T

2018-04-01

Prior research has found that a strong positive ethnic identity is a protective factor against anxiety and depression in African Americans. In this study, ethnic identity is examined in a geographically representative sample of African American young adults (n = 242), using the Multigroup Ethnic Identity Measure (MEIM) (Phinney in J Adolescent Res 7:156-76, 15). The two-factor structure of the measure (Roberts et al. in J Early Adolescence 19:301-22, 1) was analyzed using a structural equation model and displayed an acceptable fit only when multiple error terms were correlated. A multigroup confirmatory factor analysis revealed measurement equivalence of the two-factor structure between African Americans from Southern and non-Southern regions of the USA. We found that significantly higher levels of ethnic identity were present among African American in the South compared to other regions, and region significantly predicted total ethnic identity scores in a linear regression, even when controlling for gender, age, urbanicity, and years of education. Furthermore, among African Americans, living in the South was significantly correlated with less help-seeking for diagnosed depression, anxiety, and/or obsessive-compulsive disorder, where help-seeking was defined as obtaining a diagnosis by a professional. The role of ethnic identity and social support are discussed in the context of African American mental health.

Controlled Synthesis of Ultralong Carbon Nanotubes with Perfect Structures and Extraordinary Properties.

PubMed

Zhang, Rufan; Zhang, Yingying; Wei, Fei

2017-02-21

Carbon nanotubes (CNTs) have drawn intensive research interest in the past 25 years due to their excellent properties and wide applications. Ultralong CNTs refers to the horizontally aligned CNT arrays which are usually grown on flat substrates, parallel with each other with large intertube distances. They usually have perfect structures, excellent properties, and lengths up to centimeters, even decimeters. Ultralong CNTs are promising candidates as building blocks for transparent displays, nanoelectronics, superstrong tethers, aeronautics and aerospace materials, etc. The controlled synthesis of ultralong CNTs with perfect structures is the key to fully exploit the extraordinary properties of CNTs. CNTs are typical one-dimensional single-crystal nanomaterials. It has always been a great challenge how to grow macroscale single-crystals with no defects. Thus, the synthesis of ultralong CNTs with no defect is of significant importance from both fundamental and industrial aspects. In this Account, we focus on our progress on the controlled synthesis of ultralong CNTs with perfect structures and excellent properties. A deep understanding of the CNT growth mechanism is the first step for the controlled synthesis of ultralong CNTs with high quality. We first introduce the growth mechanism for ultralong CNTs and the main factor affecting their structures. We then discuss the strategies to control the defects in the as-grown ultralong CNTs. With these approaches, ultralong high-quality CNTs with different structures can be obtained. By completely eliminating the factors which may induce defects in the CNT walls, ultralong CNTs with perfect structures can be obtained. Their chiral indices keep unchanged for several centimeters long along the axial direction of the CNTs. The defect-free structures render the ultralong CNTs with excellent electrical, mechanical and thermal properties. The as-grown ultralong CNTs exhibit superhigh mechanical strength (>100 GPa) and their breaking strain (>17.5%) reach the theoretical limits. They also show excellent electrical and thermal properties. In addition, centimeters long CNTs showed macroscale interwall superlubricious properties due to their defect-free structures. Ultralong, defect-free CNTs with controlled structures are highly desirable for many high-end applications. We hope that this Account will shed light on the controlled synthesis of ultralong CNTs with perfect structures and excellent properties. Moreover, the growth mechanism and controlled synthesis of ultralong CNTs with perfect structures also offers a good model for other one-dimensional nanomaterials.

Investigation on the Accuracy of Superposition Predictions of Film Cooling Effectiveness

NASA Astrophysics Data System (ADS)

Meng, Tong; Zhu, Hui-ren; Liu, Cun-liang; Wei, Jian-sheng

2018-05-01

Film cooling effectiveness on flat plates with double rows of holes has been studied experimentally and numerically in this paper. This configuration is widely used to simulate the multi-row film cooling on turbine vane. Film cooling effectiveness of double rows of holes and each single row was used to study the accuracy of superposition predictions. Method of stable infrared measurement technique was used to measure the surface temperature on the flat plate. This paper analyzed the factors that affect the film cooling effectiveness including hole shape, hole arrangement, row-to-row spacing and blowing ratio. Numerical simulations were performed to analyze the flow structure and film cooling mechanisms between each film cooling row. Results show that the blowing ratio within the range of 0.5 to 2 has a significant influence on the accuracy of superposition predictions. At low blowing ratios, results obtained by superposition method agree well with the experimental data. While at high blowing ratios, the accuracy of superposition prediction decreases. Another significant factor is hole arrangement. Results obtained by superposition prediction are nearly the same as experimental values of staggered arrangement structures. For in-line configurations, the superposition values of film cooling effectiveness are much higher than experimental data. For different hole shapes, the accuracy of superposition predictions on converging-expanding holes is better than cylinder holes and compound angle holes. For two different hole spacing structures in this paper, predictions show good agreement with the experiment results.

The local structure and EPR parameter of compressed tetrahedral CuIIX4 components in proteins, liquid precursors and nanomaterials

NASA Astrophysics Data System (ADS)

Kuang, Min-Quan; Yuan, Hong-Kuan; Chen, Hong; Wang, Li-Dan; Duan, Shu-Kai

2017-11-01

The local structures and EPR parameters of flatten CuIIX4 (X = N, O, S, Se, Cl and Br) compositions in proteins, liquid precursors and nanocrystals are analyzed and computed based on the cluster approach and perturbation method. The g and A components of copper(II) under D2d symmetry are well explained in terms of a global parameter β characterizing the local angular distortion away from the ideal Td tetrahedron where β0 ≈ 109.4712°. The calculated isotropy and anisotropy of g factors (gav and Δg) are found suffering an increase with the enlargement of the obtained βcal, which is consistent with the increasing trends of both experimental Δg and gav. The variation trend of gav can also be interpreted by the decreasing covalence of the studied system (or the increasing covalency factor ρ). On the other hand, the hyperfine structure constant A‖ decreases with increasing βcal. The obtained cubic crystal field parameter Dq and the core polarization constant κ experience the dropping and growing tendencies, respectively, with the enlarging copper-ligand bond length R. The above correlations are appropriate for all the studied CuIIX4 complexes and thus this work would be helpful to establish the complete physical scheme for uniform analysis on spectroscopic and magnetic behaviours of MX4 (M = transition metal and X = halides and pseudohalides) compounds.

The analysis of dynamic characteristics and wind-induced displacement response of space Beam String Structure

NASA Astrophysics Data System (ADS)

Chen, Yong Jian; Feng, Zhen Fa; Qi, Ai; Huang, Ying

2018-06-01

The Beam String Structure structural system, also called BSS, has the advantages of lighter dead weight and greater flexibility. The wind load is the main design control factor. The dynamic characteristics and wind-induced displacement response of BSS are studied by the finite element method. The roof structure of the stadium roof of the Fuzhou Olympic Sports Center is the engineering background. 1)The numerical model was built by ANSYS, by shape finding, determine the initial stress state of structural members such as external cables; 2)From the analysis of dynamic characteristics, the main mode of vibration is the vibration of cables; 3)The wind speed spectrum of MATLAB generation structure is obtained by AR method, the structural response of the structure under static wind load and fluctuating wind load is calculated. From the analysis result, considering the equivalent static wind load of BSS , the design of adverse wind is not safe, and the fluctuating wind load should be taken into account.

Modeling the factors associating with health-related habits among Japanese students.

PubMed

Mato, Mie; Tsukasaki, Keiko

2017-11-23

The aim of the present study was to clarify the structural relationship between health-related habits and psychosocial factors during adolescence/early adulthood. An anonymous, self-administered questionnaire was provided to 1141 third- and fourth-year students at eight academic departments from six universities in regional Japanese cities. Surveys included items addressing participants' demographic characteristics, psychosocial factors (individual-level social capital, self-efficacy, mental health (from health-related quality of life SF-36v2), and sense of coherence (SOC)), and health-related habits. A multiple indicator analysis based on structural equation modeling was conducted to examine the structural relationship between health-related habits and these factors. Valid responses were obtained from 952 participants. The final model demonstrated a high level of goodness of fit. While the path from SOC to health-related habits was significant, those from self-efficacy to health-related habits and from mental health to health-related habits were not significant. The path coefficient from SOC to health-related habits was greater than the path coefficient from background characteristics. In the multiple population comparison that considered gender, a nearly identical model was supported for men and women. Psychosocial factors related to health-related habits were social capital, self-efficacy, mental health, and SOC. Furthermore, it was suggested that SOC functions as an intervening factor for maintaining a healthy lifestyle. It was observed that individual psychosocial factors influence health-related habits more than their background characteristics. Findings highlight that supporting the building of social relationships and social environments is essential to promote a healthy lifestyle among university students. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Effects of biomotor structures on performance of competitive gymnastics elements in elementary school female sixth-graders.

PubMed

Delas, Suncica; Babin, Josip; Katić, Ratko

2007-12-01

In order to identify biomotor systems that determine performance of competitive gymnastics elements in elementary school female sixth-graders, factor structures of morphological characteristics and basic motor abilities were determined first, followed by relations of the morphological-motor system factors obtained with a set of criterion variables evaluating specific motor skills in competitive gymnastics in 126 female children aged 12 years +/- 3 months. Factor analysis of 17 morphological measures yielded three morphological factors: factor of mesoendomorphy and/or adipose body voluminosity; factor of longitudinal body dimensionality; and factor of transverse arm dimensionality. Factor analysis of 16 motor variables produced four motor factors: general motoricity factor (motor system); general speed factor; factor of explosive strength of throwing type (arm explosiveness); and factor of arm and leg flexibility. Three significant canonical correlations, i.e. linear combinations, explained the association between the set of seven latent variables of the morphological and basic motor system, and five variables evaluating the knowledge in competitive gymnastics. The first canonical linear combination was based on a favorable and predominant impact of the general motor factor (a system integrating whole body coordination, leg explosiveness, relative arm strength, arm movement frequency and body flexibility) on performance of gymnastics elements, cartwheel, handstand and backward pullover mount in particular, and to a lesser extent front scale and double leg pirouette for 180 degrees. The relation of the second pair of canonical factors additionally explained the role of transverse dimensionality of arm skeleton, arm flexibility and explosiveness in performing cartwheel and squat vault, whereas the relation of the third pair of canonical factors explained the unfavorable impact of adipose voluminosity on the performance of squat vault and backward pullover mount.

Validation of the MOS Social Support Survey 6-item (MOS-SSS-6) measure with two large population-based samples of Australian women.

PubMed

Holden, Libby; Lee, Christina; Hockey, Richard; Ware, Robert S; Dobson, Annette J

2014-12-01

This study aimed to validate a 6-item 1-factor global measure of social support developed from the Medical Outcomes Study Social Support Survey (MOS-SSS) for use in large epidemiological studies. Data were obtained from two large population-based samples of participants in the Australian Longitudinal Study on Women's Health. The two cohorts were aged 53-58 and 28-33 years at data collection (N = 10,616 and 8,977, respectively). Items selected for the 6-item 1-factor measure were derived from the factor structure obtained from unpublished work using an earlier wave of data from one of these cohorts. Descriptive statistics, including polychoric correlations, were used to describe the abbreviated scale. Cronbach's alpha was used to assess internal consistency and confirmatory factor analysis to assess scale validity. Concurrent validity was assessed using correlations between the new 6-item version and established 19-item version, and other concurrent variables. In both cohorts, the new 6-item 1-factor measure showed strong internal consistency and scale reliability. It had excellent goodness-of-fit indices, similar to those of the established 19-item measure. Both versions correlated similarly with concurrent measures. The 6-item 1-factor MOS-SSS measures global functional social support with fewer items than the established 19-item measure.

Earthquake Preparedness Among Japanese Hemodialysis Patients in Prefectures Heavily Damaged by the 2011 Great East Japan Earthquake.

PubMed

Sugisawa, Hidehiro; Shimizu, Yumiko; Kumagai, Tamaki; Sugisaki, Hiroaki; Ohira, Seiji; Shinoda, Toshio

2017-08-01

The purpose of this study was to explore the factors related to earthquake preparedness in Japanese hemodialysis patients. We focused on three aspects of the related factors: health condition factors, social factors, and the experience of disasters. A mail survey of all the members of the Japan Association of Kidney Disease Patients in three Japanese prefectures (N = 4085) was conducted in March, 2013. We obtained 1841 valid responses for analysis. The health factors covered were: activities of daily living (ADL), mental distress, primary renal diseases, and the duration of dialysis. The social factors were: socioeconomic status, family structure, informational social support, and the provision of information regarding earthquake preparedness from dialysis facilities. The results show that the average percentage of participants that had met each criterion of earthquake preparedness in 2013 was 53%. Hemodialysis patients without disabled ADL, without mental distress, and requiring longer periods of dialysis, were likely to meet more of the earthquake preparedness criteria. Hemodialysis patients who had received informational social support from family or friends, had lived with spouse and children in comparison to living alone, and had obtained information regarding earthquake preparedness from dialysis facilities, were also likely to meet more of the earthquake preparedness criteria. © 2017 International Society for Apheresis, Japanese Society for Apheresis, and Japanese Society for Dialysis Therapy.

Argentinean adaptation of the Social Skills Inventory IHS-Del-Prette.

PubMed

Olaz, Fabián Orlando; Medrano, Leonardo; Greco, María Eugenia; Del Prette, Zilda Aparecida Pereira

2009-11-01

We present the results of the adaptation of the IHS-Del-Prette (Inventario de Habilidades Sociales, in English, Social Skills Inventory) to a sample of Argentinean college students. Firstly, we addressed the backward translation and carried out an equivalence study of the Portuguese and Spanish versions of the scale. The results showed the two versions were equivalent, as we obtained correlations lower than .50 in only 5 items. Secondly, we performed item analysis by calculating discrimination indexes and item-total correlations. Results indicated that the items are sensitive to differentiate between high and low social-skill groups. Exploratory factor analysis carried out with a sample of 602 college students yielded five factors that explained 26.5% of the total variance, although our data did not completely match the original factor structure. We also obtained moderate alpha values for the subscales, but high reliability for the total scale. Lastly, group differences between males and females are presented to provide evidence of validity. We discuss the implications of the results and present future lines of inquiry.

A confirmatory study of the Combined Index of Severity of Fibromyalgia (ICAF*): factorial structure, reliability and sensitivity to change

PubMed Central

2011-01-01

Background Fibromyalgia (FM) is a complex syndrome that affects many aspects of the patients life and it is very difficult to evaluate in clinical practice. A recent study has developed the Combined Index of Severity of Fibromyalgia (ICAF), an instrument that evaluates diverse aspects of FM and offers five indices: emotional, physical, active coping, passive coping and total. The objective of this study is to confirm the structure of the ICAF, check its test-retest reliability, assess its sensitivity to change, and compare the results obtained in a sample of patients with fibromyalgia with another sample of healthy controls. Methods A total of 232 patients took part in the study, 228 women and 4 men, with a mean age of 47.73 years of age (SD = 8.61) and a time of disease evolution since diagnosis of 4.28 years (SD = 4.03). The patients from the FM group completed the ICAF. Between one and two weeks later, they again attended the clinic and complete the 59 items on the ICAF (retest) and immediately afterwards they began treatment (according to daily clinical practice criteria). A sample of healthy subjects was also studied as a control group: 110 people were included (106 women and 4 men) with a mean age of 46.01 years of age (SD = 9.35). The study was conducted in Spain. Results The results obtained suggest that the four-factor model obtained in the previous study adequately fits the data obtained in this study. The test-retest reliability and internal consistency were all significant and show a high degree of correlation for all the factors as well as in overall score. With the exception of the passive coping factor, all the other scores, including the overall score, were sensitive to change after the therapeutic intervention. The ICAF scores of the patients with fibromyalgia compared with those of the control group were markedly different. Conclusions The findings suggest that the ICAF is a valid, reliable, sensitive to change instrument with the added advantage that it offers some additional domains (factors) that provide very valuable information regarding the most delicate aspects of the patient, which must be addressed at the time of treatment in daily clinical practice. PMID:21649886

A confirmatory study of the Combined Index of Severity of Fibromyalgia (ICAF*): factorial structure, reliability and sensitivity to change.

PubMed

Vallejo, Miguel A; Rivera, Javier; Esteve-Vives, Joaquim; Rejas, Javier

2011-06-07

Fibromyalgia (FM) is a complex syndrome that affects many aspects of the patient's life and it is very difficult to evaluate in clinical practice. A recent study has developed the Combined Index of Severity of Fibromyalgia (ICAF), an instrument that evaluates diverse aspects of FM and offers five indices: emotional, physical, active coping, passive coping and total. The objective of this study is to confirm the structure of the ICAF, check its test-retest reliability, assess its sensitivity to change, and compare the results obtained in a sample of patients with fibromyalgia with another sample of healthy controls. A total of 232 patients took part in the study, 228 women and 4 men, with a mean age of 47.73 years of age (SD = 8.61) and a time of disease evolution since diagnosis of 4.28 years (SD = 4.03). The patients from the FM group completed the ICAF. Between one and two weeks later, they again attended the clinic and complete the 59 items on the ICAF (retest) and immediately afterwards they began treatment (according to daily clinical practice criteria). A sample of healthy subjects was also studied as a control group: 110 people were included (106 women and 4 men) with a mean age of 46.01 years of age (SD = 9.35). The study was conducted in Spain. The results obtained suggest that the four-factor model obtained in the previous study adequately fits the data obtained in this study. The test-retest reliability and internal consistency were all significant and show a high degree of correlation for all the factors as well as in overall score. With the exception of the passive coping factor, all the other scores, including the overall score, were sensitive to change after the therapeutic intervention. The ICAF scores of the patients with fibromyalgia compared with those of the control group were markedly different. The findings suggest that the ICAF is a valid, reliable, sensitive to change instrument with the added advantage that it offers some additional domains (factors) that provide very valuable information regarding the most delicate aspects of the patient, which must be addressed at the time of treatment in daily clinical practice.

Mechanical exfoliation of two-dimensional materials

NASA Astrophysics Data System (ADS)

Gao, Enlai; Lin, Shao-Zhen; Qin, Zhao; Buehler, Markus J.; Feng, Xi-Qiao; Xu, Zhiping

2018-06-01

Two-dimensional materials such as graphene and transition metal dichalcogenides have been identified and drawn much attention over the last few years for their unique structural and electronic properties. However, their rise begins only after these materials are successfully isolated from their layered assemblies or adhesive substrates into individual monolayers. Mechanical exfoliation and transfer are the most successful techniques to obtain high-quality single- or few-layer nanocrystals from their native multi-layer structures or their substrate for growth, which involves interfacial peeling and intralayer tearing processes that are controlled by material properties, geometry and the kinetics of exfoliation. This procedure is rationalized in this work through theoretical analysis and atomistic simulations. We propose a criterion to assess the feasibility for the exfoliation of two-dimensional sheets from an adhesive substrate without fracturing itself, and explore the effects of material and interface properties, as well as the geometrical, kinetic factors on the peeling behaviors and the torn morphology. This multi-scale approach elucidates the microscopic mechanism of the mechanical processes, offering predictive models and tools for the design of experimental procedures to obtain single- or few-layer two-dimensional materials and structures.

Performance of the Malay Audit of Diabetes Dependent Quality of Life-18 and Associates of Quality of Life among Patients with Type 2 Diabetes Mellitus from Major Ethnic Groups of Malaysia.

PubMed

Daher, Aqil M; AlMashoor, Syed Hassan A; Winn, Than

2016-01-01

Diabetes Mellitus (DM) is notorious for its metabolic effect, acute and chronic complications and impact on Quality of Life (QoL). Successful intervention to improve QoL necessitates a valid and reliable measurement tool to identify areas of concern to patients with diabetes. To (1) assess the factor structure of the Malay Audit of Diabetes Dependent Quality of Life-18 (ADDQoL-18) questionnaire; (2) determine the impact of DM on QoL; and (3) identify areas of concern to patients with type 2 DM from three major ethnic groups in Malaysia. Data was obtained from a cross sectional study involving 256 patients with type 2 DM attending the diabetes clinic of the National University of Malaysia Medical Centre. The Malay version of ADDQoL-18 survey was translated from its English version according to standard guidelines and administered by a trained research assistant. Exploratory Factor Analysis (EFA) with oblimin rotation was used to determine factor structure of the data. Confirmatory Factor Analysis (CFA) was used to confirm the factor structure. Hierarchical liner regression was used to determine factors associated with QoL. Unforced factor solution yielded two factors for the whole sample. Forced one factor solution was ascertained for the whole sample and for each ethnic group. Loadings ranged between 0.588 and 0.949. Reliability coefficients were all higher than 0.955. CFA showed that the two factor model had better fit statistics. QoL was associated with the use of insulin and desired glycaemic control, longer diabetes duration, worry about diabetes, and diabetes complications. The Malay ADDQoL-18 is a valid tool to be used among patients with diabetes from different ethnic groups in Malaysia. The use of insulin to achieve desired glycaemic control had more negative impact on QoL than the use of tablets and/or dietary changes.

Performance of the Malay Audit of Diabetes Dependent Quality of Life-18 and Associates of Quality of Life among Patients with Type 2 Diabetes Mellitus from Major Ethnic Groups of Malaysia

PubMed Central

Daher, Aqil M.; AlMashoor, Syed Hassan A.; Winn, Than

2016-01-01

Introduction Diabetes Mellitus (DM) is notorious for its metabolic effect, acute and chronic complications and impact on Quality of Life (QoL). Successful intervention to improve QoL necessitates a valid and reliable measurement tool to identify areas of concern to patients with diabetes. Objectives To (1) assess the factor structure of the Malay Audit of Diabetes Dependent Quality of Life-18 (ADDQoL-18) questionnaire; (2) determine the impact of DM on QoL; and (3) identify areas of concern to patients with type 2 DM from three major ethnic groups in Malaysia. Methods Data was obtained from a cross sectional study involving 256 patients with type 2 DM attending the diabetes clinic of the National University of Malaysia Medical Centre. The Malay version of ADDQoL-18 survey was translated from its English version according to standard guidelines and administered by a trained research assistant. Exploratory Factor Analysis (EFA) with oblimin rotation was used to determine factor structure of the data. Confirmatory Factor Analysis (CFA) was used to confirm the factor structure. Hierarchical liner regression was used to determine factors associated with QoL. Results Unforced factor solution yielded two factors for the whole sample. Forced one factor solution was ascertained for the whole sample and for each ethnic group. Loadings ranged between 0.588 and 0.949. Reliability coefficients were all higher than 0.955. CFA showed that the two factor model had better fit statistics. QoL was associated with the use of insulin and desired glycaemic control, longer diabetes duration, worry about diabetes, and diabetes complications. Conclusions The Malay ADDQoL-18 is a valid tool to be used among patients with diabetes from different ethnic groups in Malaysia. The use of insulin to achieve desired glycaemic control had more negative impact on QoL than the use of tablets and/or dietary changes. PMID:27695086

Validation of the Adolescent Concerns Measure (ACM): evidence from exploratory and confirmatory factor analysis.

PubMed

Ang, Rebecca P; Chong, Wan Har; Huan, Vivien S; Yeo, Lay See

2007-01-01

This article reports the development and initial validation of scores obtained from the Adolescent Concerns Measure (ACM), a scale which assesses concerns of Asian adolescent students. In Study 1, findings from exploratory factor analysis using 619 adolescents suggested a 24-item scale with four correlated factors--Family Concerns (9 items), Peer Concerns (5 items), Personal Concerns (6 items), and School Concerns (4 items). Initial estimates of convergent validity for ACM scores were also reported. The four-factor structure of ACM scores derived from Study 1 was confirmed via confirmatory factor analysis in Study 2 using a two-fold cross-validation procedure with a separate sample of 811 adolescents. Support was found for both the multidimensional and hierarchical models of adolescent concerns using the ACM. Internal consistency and test-retest reliability estimates were adequate for research purposes. ACM scores show promise as a reliable and potentially valid measure of Asian adolescents' concerns.

Group III Acceptors with Shallow and Deep Levels in Silicon Carbide: ESR and ENDOR Studies

NASA Astrophysics Data System (ADS)

Il'in, I. V.; Uspenskaya, Yu. A.; Kramushchenko, D. D.; Muzafarova, M. V.; Soltamov, V. A.; Mokhov, E. N.; Baranov, P. G.

2018-04-01

Results of investigations of Group III acceptors (B, Al, and Ga) in crystals of silicon carbide using the most informative electron spin resonance and electron nuclear double resonance methods are presented. Structural models of the acceptors with shallow and deep levels are considered. In addition to the data obtained earlier, studies using high-frequency magnetic resonance were obtained, which allowed revealing orthorhombic deviations from the axial symmetry for the deep acceptors; theoretical analysis explains experimentally found shifts of g factors for the deep acceptors arising due to the orthorhombic deviations, which appear probably due to the Jahn-Teller effect.

Investigations on the stability, oscillation, and stress conditions of airplanes with tab control. Second partial report : application of the solutions obtained in the first partial report to tab-controlled airplanes.

NASA Technical Reports Server (NTRS)

Filzek, B

1949-01-01

The first partial report, FB 2000, contained a discussion of the derivation of the equations of motion and their solutions for a tab-controlled airplane; the results obtained there are now to be applied to the longitudinal motion of tab-controlled airplanes. In view of the abundance of structural factors and aerodynamic parameters, a general discussion of the problems is unfeasible. Thus it is demonstrated on the basis of examples what stability, oscillation, and stress conditions are to be expected for tab-controlled airplanes. (author)

Integration of neutron time-of-flight single-crystal Bragg peaks in reciprocal space

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

Schultz, Arthur J; Joergensen, Mads; Wang, Xiaoping

2014-01-01

The intensity of single crystal Bragg peaks obtained by mapping neutron time-of-flight event data into reciprocal space and integrating in various ways are compared. These include spherical integration with a fixed radius, ellipsoid fitting and integrating of the peak intensity and one-dimensional peak profile fitting. In comparison to intensities obtained by integrating in real detector histogram space, the data integrated in reciprocal space results in better agreement factors and more accurate atomic parameters. Furthermore, structure refinement using integrated intensities from one-dimensional profile fitting is demonstrated to be more accurate than simple peak-minus-background integration.

Microstructure evolution in dissimilar AA6060/copper friction stir welded joints

NASA Astrophysics Data System (ADS)

Kalashnikova, T. A.; Shvedov, M. A.; Vasilyev, P. A.

2017-12-01

Friction stir welding process has been applied for making a dissimilar copper/aluminum alloy joint. The grain microstructure and mechanical properties of the obtained joint were studied. The structure of the cross-section of the FSW compound was analyzed. The microstructural evolution of the joint was examined using optical microscopy. The mechanical properties of the intermetallic particles were evaluated by measuring the microhardness according to the Vickers method. The microhardness of the intermetallic particles was by a factor of 4 lower than that of the particles obtained by fusion welding. The results of the investigations enable using friction stir welding for making dissimilar joints.

A new approach to high-efficiency multi-band-gap solar cells

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

Barnham, K.W.J.; Duggan, G.

1990-04-01

The advantages of using multi-quantum-well or superlattice systems as the absorbers in concentrator solar cells are discussed. By adjusting the quantum-well width, an effective band-gap variation that covers the high-efficiency region of the solar spectrum can be obtained. Higher efficiencies should result from the ability to optimize separately current and voltage generating factors. Suitable structures to ensure good carrier separation and collection and to obtain higher open-circuit voltages are presented using the (AlGa)As/GaAs/(InGa)As system. Efficiencies above existing single-band-gap limits should be achievable, with upper limits in excess of 40%.

Interspecific analysis of covariance structure in the masticatory apparatus of galagos.

PubMed

Vinyard, Christopher J

2007-01-01

The primate masticatory apparatus (MA) is a functionally integrated set of features, each of which performs important functions in biting, ingestive, and chewing behaviors. A comparison of morphological covariance structure among species for these MA features will help us to further understand the evolutionary history of this region. In this exploratory analysis, the covariance structure of the MA is compared across seven galago species to investigate 1) whether there are differences in covariance structure in this region, and 2) if so, how has this covariation changed with respect to size, MA form, diet, and/or phylogeny? Ten measurements of the MA functionally related to bite force production and load resistance were obtained from 218 adults of seven galago species. Correlation matrices were generated for these 10 dimensions and compared among species via matrix correlations and Mantel tests. Subsequently, pairwise covariance disparity in the MA was estimated as a measure of difference in covariance structure between species. Covariance disparity estimates were correlated with pairwise distances related to differences in body size, MA size and shape, genetic distance (based on cytochrome-b sequences) and percentage of dietary foods to determine whether one or more of these factors is linked to differences in covariance structure. Galagos differ in MA covariance structure. Body size appears to be a major factor correlated with differences in covariance structure among galagos. The largest galago species, Otolemur crassicaudatus, exhibits large differences in body mass and covariance structure relative to other galagos, and thus plays a primary role in creating this association. MA size and shape do not correlate with covariance structure when body mass is held constant. Diet also shows no association. Genetic distance is significantly negatively correlated with covariance disparity when body mass is held constant, but this correlation appears to be a function of the small body size and large genetic distance for Galagoides demidoff. These exploratory results indicate that changing body size may have been a key factor in the evolution of the galago MA.

Research on Risk Manage of Power Construction Project Based on Bayesian Network

NASA Astrophysics Data System (ADS)

Jia, Zhengyuan; Fan, Zhou; Li, Yong

With China's changing economic structure and increasingly fierce competition in the market, the uncertainty and risk factors in the projects of electric power construction are increasingly complex, the projects will face huge risks or even fail if we don't consider or ignore these risk factors. Therefore, risk management in the projects of electric power construction plays an important role. The paper emphatically elaborated the influence of cost risk in electric power projects through study overall risk management and the behavior of individual in risk management, and introduced the Bayesian network to the project risk management. The paper obtained the order of key factors according to both scene analysis and causal analysis for effective risk management.

Asymptotic behaviour of two-point functions in multi-species models

NASA Astrophysics Data System (ADS)

Kozlowski, Karol K.; Ragoucy, Eric

2016-05-01

We extract the long-distance asymptotic behaviour of two-point correlation functions in massless quantum integrable models containing multi-species excitations. For such a purpose, we extend to these models the method of a large-distance regime re-summation of the form factor expansion of correlation functions. The key feature of our analysis is a technical hypothesis on the large-volume behaviour of the form factors of local operators in such models. We check the validity of this hypothesis on the example of the SU (3)-invariant XXX magnet by means of the determinant representations for the form factors of local operators in this model. Our approach confirms the structure of the critical exponents obtained previously for numerous models solvable by the nested Bethe Ansatz.

Lande gJ factors for even-parity electronic levels in the holmium atom

NASA Astrophysics Data System (ADS)

Stefanska, D.; Werbowy, S.; Krzykowski, A.; Furmann, B.

2018-05-01

In this work the hyperfine structure of the Zeeman splitting for 18 even-parity levels in the holmium atom was investigated. The experimental method applied was laser induced fluorescence in a hollow cathode discharge lamp. 20 spectral lines were investigated involving odd-parity levels from the ground multiplet, for which Lande gJ factors are known with high precision, as the lower levels; this greatly facilitated the evaluation of gJ factors for the upper levels. The gJ values for the even-parity levels considered are reported for the first time. They proved to compare fairly well with the values obtained recently in a semi-empirical analysis for the even-parity level system of Ho I.

Two-year Test-Retest Reliability in High School Athletes Using the Four- and Two-Factor ImPACT Composite Structures: The Effects of Learning Disorders and Headache/Migraine Treatment History.

PubMed

Brett, Benjamin L; Solomon, Gary S; Hill, Jennifer; Schatz, Philip

2018-03-01

This study examined the test-retest reliability of the four- and two-factor structures (i.e., Memory and Speed) of ImPACT over a 2-year interval across multiple groups with premorbid conditions, including those with a history of special education or learning disorders (LD; n = 114), treatment history for headache/migraine (n = 81), and a control group (n = 792). Nine hundred and eighty seven high school athletes completed baseline testing using online ImPACT across a 2-year interval. Paired-samples t-tests documented improvement from initial to follow-up assessments. Test stability was examined using Regression-based measures (RBM) and Reliable change indices (RCI). Reliability was examined using intraclass correlation coefficients (ICC). Significant improvement on all four composites were observed for the control group over a 2-year interval; whereas significant differences were observed only on Visual Motor Speed for the LD and headache/migraine treatment history groups. ICCs ranges were similar across groups and greater or comparable reliability was observed for the two-factor structure on Memory (0.67-0.73) and Speed (0.76-0.78) composites. RCIs and RBMs demonstrated stability for the four- and two-factor structures, with few cases falling outside the range of expected change within a healthy sample at the 90% and 95% CIs. Typical practices of obtaining new baselines every 2 years in the high school population can be applied to athletes with a history of special education or LD and headache/migraine treatment. The two-factor structure has potential to increase test-retest reliability. Further research regarding clinical utility is needed. © The Author 2017. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Can genetics help psychometrics? Improving dimensionality assessment through genetic factor modeling.

PubMed

Franić, Sanja; Dolan, Conor V; Borsboom, Denny; Hudziak, James J; van Beijsterveldt, Catherina E M; Boomsma, Dorret I

2013-09-01

In the present article, we discuss the role that quantitative genetic methodology may play in assessing and understanding the dimensionality of psychological (psychometric) instruments. Specifically, we study the relationship between the observed covariance structures, on the one hand, and the underlying genetic and environmental influences giving rise to such structures, on the other. We note that this relationship may be such that it hampers obtaining a clear estimate of dimensionality using standard tools for dimensionality assessment alone. One situation in which dimensionality assessment may be impeded is that in which genetic and environmental influences, of which the observed covariance structure is a function, differ from each other in structure and dimensionality. We demonstrate that in such situations settling dimensionality issues may be problematic, and propose using quantitative genetic modeling to uncover the (possibly different) dimensionalities of the underlying genetic and environmental structures. We illustrate using simulations and an empirical example on childhood internalizing problems.

Data from clinical notes: a perspective on the tension between structure and flexible documentation

PubMed Central

Denny, Joshua C; Xu, Hua; Lorenzi, Nancy; Stead, William W; Johnson, Kevin B

2011-01-01

Clinical documentation is central to patient care. The success of electronic health record system adoption may depend on how well such systems support clinical documentation. A major goal of integrating clinical documentation into electronic heath record systems is to generate reusable data. As a result, there has been an emphasis on deploying computer-based documentation systems that prioritize direct structured documentation. Research has demonstrated that healthcare providers value different factors when writing clinical notes, such as narrative expressivity, amenability to the existing workflow, and usability. The authors explore the tension between expressivity and structured clinical documentation, review methods for obtaining reusable data from clinical notes, and recommend that healthcare providers be able to choose how to document patient care based on workflow and note content needs. When reusable data are needed from notes, providers can use structured documentation or rely on post-hoc text processing to produce structured data, as appropriate. PMID:21233086

Fatigue reliability of deck structures subjected to correlated crack growth

NASA Astrophysics Data System (ADS)

Feng, G. Q.; Garbatov, Y.; Guedes Soares, C.

2013-12-01

The objective of this work is to analyse fatigue reliability of deck structures subjected to correlated crack growth. The stress intensity factors of the correlated cracks are obtained by finite element analysis and based on which the geometry correction functions are derived. The Monte Carlo simulations are applied to predict the statistical descriptors of correlated cracks based on the Paris-Erdogan equation. A probabilistic model of crack growth as a function of time is used to analyse the fatigue reliability of deck structures accounting for the crack propagation correlation. A deck structure is modelled as a series system of stiffened panels, where a stiffened panel is regarded as a parallel system composed of plates and are longitudinal. It has been proven that the method developed here can be conveniently applied to perform the fatigue reliability assessment of structures subjected to correlated crack growth.

Transparent, flexible surface enhanced Raman scattering substrates based on Ag-coated structured PET (polyethylene terephthalate) for in-situ detection

NASA Astrophysics Data System (ADS)

Zuo, Zewen; Zhu, Kai; Gu, Chuan; Wen, Yibing; Cui, Guanglei; Qu, Jun

2016-08-01

Transparent, flexible surface-enhanced Raman scattering (SERS) substrates were fabricated by metalization of structured polyethylene terephthalate (PET) sheets. The resultant Ag-coated structured PET SERS substrates were revealed to be highly sensitive with good reproducibility and stability, an enhancement factor of 3 × 106 was acquired, which can be attributed mainly to the presence of plentiful multiple-type hot spots within the quasi-three-dimensional surface of the structured PET obtained by oxygen plasma etching. In addition, detections of model molecules on fruit skin were also carried out, demonstrating the great potential of the Ag-coated structured PET in in-situ detection of analyte on irregular objects. Importantly, the technique used for the preparation of such substrate is completely compatible with well-established silicon device technologies, and large-area fabrication with low cost can be readily realized.

Cognitive, personality, and social factors associated with adolescents' online personal information disclosure.

PubMed

Liu, Cong; Ang, Rebecca P; Lwin, May O

2013-08-01

The current study aims to understand the factors that influence adolescents' disclosure of personally identifiable information (PII) on social networking sites (SNSs). A survey was conducted among 780 adolescent participants (between 13 and 18) who were Facebook users. Structural equation modeling was used for analyzing the data and obtaining an overarching model that include cognitive, personality, and social factors that influence adolescents' PII disclosure. Results showed privacy concern as the cognitive factor reduces adolescents' PII disclosure and it serves as a potential mediator for personality and social factors. Amongst personality factors, narcissism was found to directly increase PII disclosure, and social anxiety indirectly decreases PII disclosure by increasing privacy concern. Amongst social factors, active parental mediation decreases PII disclosure directly and indirectly by increasing privacy concern. Restrictive parental mediation decreases PII disclosure only indirectly by increasing privacy concern. Implications of the findings to parents, educators, and policy makers were discussed. Copyright © 2013 The Foundation for Professionals in Services for Adolescents. Published by Elsevier Ltd. All rights reserved.

DNA replication in the archaea.

PubMed

Barry, Elizabeth R; Bell, Stephen D

2006-12-01

The archaeal DNA replication machinery bears striking similarity to that of eukaryotes and is clearly distinct from the bacterial apparatus. In recent years, considerable advances have been made in understanding the biochemistry of the archaeal replication proteins. Furthermore, a number of structures have now been obtained for individual components and higher-order assemblies of archaeal replication factors, yielding important insights into the mechanisms of DNA replication in both archaea and eukaryotes.

[Mobbing: a meta-analysis and integrative model of its antecedents and consequences].

PubMed

Topa Cantisano, Gabriela; Depolo, Marco; Morales Domínguez, J Francisco

2007-02-01

Although mobbing has been extensively studied, empirical research has not led to firm conclusions regarding its antecedents and consequences, both at personal and organizational levels. An extensive literature search yielded 86 empirical studies with 93 samples. The matrix correlation obtained through meta-analytic techniques was used to test a structural equation model. Results supported hypotheses regarding organizational environmental factors as main predictors of mobbing.

A dual-user teleoperation system with Online Authority Adjustment for haptic training.

PubMed

Fei Liu; Leleve, Arnaud; Eberard, Damien; Redarce, Tanneguy

2015-08-01

This paper introduces a dual-user teleoperation system for hands-on medical training. A shared control based architecture is presented for authority management. In this structure, the combination of control signals is obtained using a dominance factor. Its main improvement is Online Authority Adjustment (OAA): the authority can be adjusted manually/automatically during the training progress. Experimental results are provided to validate the performances of the system.

Optical design of microlens array for CMOS image sensors

NASA Astrophysics Data System (ADS)

Zhang, Rongzhu; Lai, Liping

2016-10-01

The optical crosstalk between the pixel units can influence the image quality of CMOS image sensor. In the meantime, the duty ratio of CMOS is low because of its pixel structure. These two factors cause the low detection sensitivity of CMOS. In order to reduce the optical crosstalk and improve the fill factor of CMOS image sensor, a microlens array has been designed and integrated with CMOS. The initial parameters of the microlens array have been calculated according to the structure of a CMOS. Then the parameters have been optimized by using ZEMAX and the microlens arrays with different substrate thicknesses have been compared. The results show that in order to obtain the best imaging quality, when the effect of optical crosstalk for CMOS is the minimum, the best distance between microlens array and CMOS is about 19.3 μm. When incident light successively passes through microlens array and the distance, obtaining the minimum facula is around 0.347 um in the active area. In addition, when the incident angle of the light is 0o 22o, the microlens array has obvious inhibitory effect on the optical crosstalk. And the anti-crosstalk distance between microlens array and CMOS is 0 μm 162 μm.

Evaluation of the sensitivity and fatigue performance of embedded piezopolymer sensor systems in sandwich composite laminates

NASA Astrophysics Data System (ADS)

Chrysochoidis, N. A.; Gutiérrez, E.

2015-02-01

It has been claimed that embedding piezoceramic devices as structural diagnostic systems in advanced composite structures may introduce mechanical impedance mismatches that favor the formation of intralaminar defects. This and other factors, such as cost and their high strain sensitivity, have motivated the use of thin-film piezopolymer sensors. In this paper, we examine the performance of sandwich composite panels fitted with embedded piezopolymer sensors. Our experiments examine both how such thin-film sensors perform within a structure and how the inclusion of sensor films affects structural performance. Strain-controlled tests on sandwich panels subjected to three-point bending under wide-ranging static and dynamic strains lead us to conclude that embedding thin piezopolymer films has no marked reduction on the tensile strength for a wide range of strain loading paths and magnitudes, and that the resilience of the embedded sensor is itself satisfactory, even up to the point of structural failure. Comparing baseline data obtained from standard surface-mounted sensors and foil gauges, we note that whereas it is possible to match experimental and theoretical strain sensitivities, key properties—especially the pronounced orthotropic electromechanical factor of such films—must be duly considered before an effective calibration can take place.

Importance of intrinsic properties of dense caseinate dispersions for structure formation.

PubMed

Manski, Julita M; van Riemsdijk, Lieke E; van der Goot, Atze J; Boom, Remko M

2007-11-01

Rheological measurements of dense calcium caseinate and sodium caseinate dispersions (> or =15%) provided insight into the factors determining shear-induced structure formation in caseinates. Calcium caseinate at a sufficiently high concentration (30%) was shown to form highly anisotropic structures during shearing and concurrent enzymatic cross-linking. In contrast, sodium caseinate formed isotropic structures using similar processing conditions. The main difference between the two types of caseinates is the counterion present, and as a consequence, the size of structural elements and their interactions. The rheological behavior of calcium caseinate and sodium caseinate reflected these differences, yielding non-monotonic and shear thinning flow behavior for calcium caseinate whereas sodium caseinate behaved only slightly shear thinning. It appears that the intrinsic properties of the dense caseinate dispersions, which are reflected in their rheological behavior, affect the structure formation that was found after applying shear. Therefore, rheological measurements are useful to obtain an indication of the structure formation potential of caseinate dispersions.

The complex impact of risk and protective factors on suicide mortality: a study of the Ukrainian general population.

PubMed

Yur'yev, Andriy; Yur'yeva, Lyudmyla; Värnik, Peeter; Lumiste, Kaur; Värnik, Airi

2015-01-01

This study assesses the complex impact of risk and protective factors on suicide mortality in the Ukrainian general population. Data on suicide rates and socioeconomic and medical factors were obtained from the Ukrainian State Statistical Office, WHO, and the European Social Survey. Structural equation modeling was used for data analysis. Religion and education were negatively associated with suicide. The relationship between drug addiction/alcoholism and suicide was positive. The association between urbanization and suicide mortality was negative. The relationship between gross regional product (GRP) and female suicide was slightly negative. Religiosity was the protective factor most strongly linked with suicide mortality followed by urbanization. The harmful role of drug addiction and alcoholism was confirmed. The role of education and GRP is controversial. No striking gender differences were found.

Quantification of site-city interaction effects on the response of structure under double resonance condition

NASA Astrophysics Data System (ADS)

Kumar, Neeraj; Narayan, Jay Prakash

2018-01-01

This paper presents the site-city interaction (SCI) effects on the response of closely spaced structures under double resonance condition (F_{02{{D}}}^{{S}} = F_{02{{D}}}^{{B}}), where F_{02{{D}}}^{{S}} and F_{02{{D}}}^{{B}} are fundamental frequencies of 2-D structure and 2-D basin, respectively. This paper also presents the development of empirical relations to predict the F_{02{{D}}}^{{B}} of elliptical and trapezoidal basins for both the polarizations of the S wave. Simulated results revealed that F_{02{{D}}}^{{B}} of a 2-D basin very much depends on its geometry, shape ratio and polarization of the incident S wave. The obtained spectral amplification factor (SAF) at F_{02{{D}}}^{{S}} of a standalone structure in a 2-D basin is greater than that in the 1-D case under double resonance condition. A considerable reduction of the fundamental resonance frequency of structures due to the SCI effects is observed for both the polarizations of the S wave. The SAFs at F_{02{{D}}}^{{S}} of closely spaced structures due to SCI effects is larger in the case of SV than SH waves. A splitting of the fundamental-mode frequency bandwidth along with the drastic decrease of SAF due to the SCI effects is obtained. The findings of this paper raise the question concerning the validity of the predicted response of standalone structure based on soil-structure interaction for the design of structures in a 2-D small basin, in an urban environment.

A proton-NMR investigation of the fully reduced cytochrome c7 from Desulfuromonas acetoxidans. Comparison between the reduced and the oxidized forms.

PubMed

Assfalg, M; Banci, L; Bertini, I; Bruschi, M; Giudici-Orticoni, M T; Turano, P

1999-12-01

The solution structure via 1H NMR of the fully reduced form of cytochrome c7 has been obtained. The protein sample was kept reduced by addition of catalytic amounts of Desulfovibrio gigas iron hydrogenase in H2 atmosphere after it had been checked that the presence of the hydrogenase did not affect the NMR spectrum. A final family of 35 conformers with rmsd values with respect to the mean structure of 8.7 +/- 1.5 nm and 12.4 +/- 1.3 nm for the backbone and heavy atoms, respectively, was obtained. A highly disordered loop involving residues 54-61 is present. If this loop is ignored, the rmsd values are 6.2 +/- 1.1 nm and 10.2 +/- 1.0 nm for the backbone and heavy atoms, respectively, which represent a reasonable resolution. The structure was analyzed and compared with the already available structure of the fully oxidized protein. Within the indetermination of the two solution structures, the result for the two redox forms is quite similar, confirming the special structural features of the three-heme cluster. A useful comparison can be made with the available crystal structures of cytochromes c3, which appear to be highly homologous except for the presence of a further heme. Finally, an analysis of the factors affecting the reduction potentials of the heme irons was performed, revealing the importance of net charges in differentiating the reduction potential when the other parameters are kept constant.

Short-Range Order and Collective Dynamics of DMPC Bilayers: A Comparison between Molecular Dynamics Simulations, X-Ray, and Neutron Scattering Experiments

PubMed Central

Hub, Jochen S.; Salditt, Tim; Rheinstädter, Maikel C.; de Groot, Bert L.

2007-01-01

We present an extensive comparison of short-range order and short wavelength dynamics of a hydrated phospholipid bilayer derived by molecular dynamics simulations, elastic x-ray, and inelastic neutron scattering experiments. The quantities that are compared between simulation and experiment include static and dynamic structure factors, reciprocal space mappings, and electron density profiles. We show that the simultaneous use of molecular dynamics and diffraction data can help to extract real space properties like the area per lipid and the lipid chain ordering from experimental data. In addition, we assert that the interchain distance can be computed to high accuracy from the interchain correlation peak of the structure factor. Moreover, it is found that the position of the interchain correlation peak is not affected by the area per lipid, while its correlation length decreases linearly with the area per lipid. This finding allows us to relate a property of the structure factor quantitatively to the area per lipid. Finally, the short wavelength dynamics obtained from the simulations and from inelastic neutron scattering are analyzed and compared. The conventional interpretation in terms of the three-effective-eigenmode model is found to be only partly suitable to describe the complex fluid dynamics of lipid chains. PMID:17631531

Giant magnetoelectric effect in negative magnetostrictive/piezoelectric/positive magnetostrictive semiring structure

NASA Astrophysics Data System (ADS)

Zeng, Lingyu; Zhou, Minhong; Bi, Ke; Lei, Ming

2016-01-01

Magnetoelectric (ME) Ni/PZT/TbFe2 and TbFe2/PZT composites with two semiring structures are prepared. The dependence between ME coupling and magnetostrictive property of the composite is discussed. Because Ni possesses negative magnetostrictive property and TbFe2 shows positive magnetostrictive property, the ME voltage coefficient of Ni/PZT/TbFe2 semiring structure is much larger than that of TbFe2/PZT. In these composites, the ME voltage coefficient increases and the resonance frequency gradually decreases with the increase of the semiring radius, showing that structural parameters are key factors to the composite properties. Due to the strong ME coupling effect, a giant ME voltage coefficient αE = 44.8 V cm-1 Oe-1 is obtained. This approach opens a way for the design of ME composites with giant ME voltage coefficient.

A comparative study of two polymorphs of L-aspartic acid hydrochloride.

PubMed

Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine

2014-07-01

Two polymorphs of L-aspartic acid hydrochloride, C4H8NO4(+)·Cl(-), were obtained from the same aqueous solution. Their crystal structures have been determined from single-crystal data collected at 100 K. The crystal structures revealed three- and two-dimensional hydrogen-bonding networks for the triclinic and orthorhombic polymorphs, respectively. The cations and anions are connected to one another via N-H···Cl and O-H···Cl interactions and form alternating cation-anion layer-like structures. The two polymorphs share common structural features; however, the conformations of the L-aspartate cations and the crystal packings are different. Furthermore, the molecular packing of the orthorhombic polymorph contains more interesting interactions which seems to be a favourable factor for more efficient charge transfer within the crystal.

The fine-structure intervals of (N-14)+ by far-infrared laser magnetic resonance

NASA Technical Reports Server (NTRS)

Brown, John M.; Varberg, Thomas D.; Evenson, Kenneth M.; Cooksy, Andrew L.

1994-01-01

The far-infrared laser magnetic resonance spectra associated with both fine-structure transitions in (N-14)+ in its ground P-3 state have been recorded. This is the first laboratory observation of the J = 1 left arrow 0 transition and its frequency has been determined two orders of magnitude more accurately than previously. The remeasurement of the J = 2 left arrow 1 spectrum revealed a small error in the previous laboratory measurements. The fine-structure splittings (free of hyperfine interactions) determined in this work are (delta)E(sub 10) = 1461.13190 (61) GHz, (delta)E(sub 21) = 2459.38006 (37) GHz. Zero-field transition frequencies which include the effects of hyperfine structure have also been calculated. Refined values for the hyperfine constants and the g(sub J) factors have been obtained.

Cross-Cultural Evaluation of Antonovsky's Orientation to Life Questionnaire: Comparison Between Australian, Finnish, and Turkish Young Adults.

PubMed

Lajunen, Timo

2018-01-01

Antonovsky's concept "sense of coherence" (SOC) and the related measurement instrument "The Orientation to Life Questionnaire" (OLQ) has been widely applied in studies on health and well-being. The purpose of the present study is to investigate the cultural differences in factor structures and psychometric properties as well as mean scores of the 13-item form of Antonovsky's OLQ among Australian (n = 201), Finnish (n = 203), and Turkish (n = 152) students. Three models of factor structure were studied by using confirmatory factor analysis: single-factor model, first-order correlated-three-factor model, and the second-order three-factor model. Results obtained in all three countries suggest that the first- and second-order three-factor models fitted the data better that the single-factor model. Hence, the OLQ scoring based on comprehensibility, manageability, and meaningfulness scales was supported. Scale reliabilities and inter-correlations were in line with those reported in earlier studies. Two-way analyses of variance (gender × nationality) with age as a covariate showed no cultural differences in SOC scale scores. Women got higher scores on the meaningfulness scale than men, and age was positively related to all SOC scale scores indicating that SOC increases in early adulthood. The results support the three-factor model of OLQ which thus should be used in Australia, Finland, and Turkey instead of a single-factor model. Need for cross-cultural studies taking into account cultural correlates of SOC and its relation to health and well-being indicators as well as studies on gender differences in the OLQ are emphasized.

Construct Validity of the Chinese Version of the Activities of Daily Living Rating Scale III in Patients with Schizophrenia

PubMed Central

Chiu, En-Chi; Lee, Yen; Lai, Kuan-Yu; Kuo, Chian-Jue; Lee, Shu-Chun; Hsieh, Ching-Lin

2015-01-01

Background The Chinese version of the Activities of Daily Living Rating Scale III (ADLRS-III), which has 10 domains, is commonly used for assessing activities of daily living (ADL) in patients with schizophrenia. However, construct validity (i.e., unidimensionality) for each domain of the ADLRS-III is unknown, limiting the explanations of the test results. Purpose This main purpose of this study was to examine unidimensionality of each domain in the ADLRS-III. We also examined internal consistency and ceiling/floor effects in patients with schizophrenia. Methods From occupational therapy records, we obtained 304 self-report data of the ADLRS-III. Confirmatory factor analysis (CFA) was conducted to examine the 10 one-factor structures. If a domain showed an insufficient model fit, exploratory factor analysis (EFA) was performed to investigate the factor structure and choose one factor representing the original construct. Internal consistency was examined using Cronbach’s alpha (α). Ceiling and floor effects were determined by the percentage of patients with the maximum and minimum scores in each domain, respectively. Results CFA analyses showed that 4 domains (i.e., leisure, picture recognition, literacy ability, communication tools use) had sufficient model fits. These 4 domains had acceptable internal consistency (α = 0.79-0.87) and no ceiling/floor effects, except the leisure domain which had a ceiling effect. The other 6 domains showed insufficient model fits. The EFA results showed that these 6 domains were two-factor structures. Conclusion The results supported unidimensional constructs of the leisure, picture recognition, literacy ability, and communication tool uses domains. The sum scores of these 4 domains can be used to represent their respective domain-specific functions. Regarding the 6 domains with insufficient model fits, we have explained the two factors of each domain and chosen one factor to represent its original construct. Future users may use the items from the chosen factors to assess domain-specific functions in patients with schizophrenia. PMID:26121246

Optimization design of LED heat dissipation structure based on strip fins

NASA Astrophysics Data System (ADS)

Xue, Lingyun; Wan, Wenbin; Chen, Qingguang; Rao, Huanle; Xu, Ping

2018-03-01

To solve the heat dissipation problem of LED, a radiator structure based on strip fins is designed and the method to optimize the structure parameters of strip fins is proposed in this paper. The combination of RBF neural networks and particle swarm optimization (PSO) algorithm is used for modeling and optimization respectively. During the experiment, the 150 datasets of LED junction temperature when structure parameters of number of strip fins, length, width and height of the fins have different values are obtained by ANSYS software. Then RBF neural network is applied to build the non-linear regression model and the parameters optimization of structure based on particle swarm optimization algorithm is performed with this model. The experimental results show that the lowest LED junction temperature reaches 43.88 degrees when the number of hidden layer nodes in RBF neural network is 10, the two learning factors in particle swarm optimization algorithm are 0.5, 0.5 respectively, the inertia factor is 1 and the maximum number of iterations is 100, and now the number of fins is 64, the distribution structure is 8*8, and the length, width and height of fins are 4.3mm, 4.48mm and 55.3mm respectively. To compare the modeling and optimization results, LED junction temperature at the optimized structure parameters was simulated and the result is 43.592°C which approximately equals to the optimal result. Compared with the ordinary plate-fin-type radiator structure whose temperature is 56.38°C, the structure greatly enhances heat dissipation performance of the structure.

The tripartite model of anxiety and depression: symptom structure in depressive and hypertensive patient groups.

PubMed

Marshall, Grant N; Sherbourne, Cathy D; Meredith, Lisa S; Camp, Patti; Hays, Ron D

2003-04-01

The structure of self-reported symptoms representative of the tripartite model was examined using data drawn from the Medical Outcomes Study (Tarlov et al., 1989). Participants were persons who had been diagnosed 48 months previously as suffering from either depression (N = 315) or hypertension (N = 403). Results of confirmatory factor analyses were broadly consistent with the tripartite model (L. A. Clark & Watson, 1991). Factors emerged corresponding to each of the 3 posited first-order dimensions of negative affect, positive affect, and physiologic arousal. Nonetheless, some discrepancies were found between the observed data and the hypothesized tripartite model. First, the obtained physiologic arousal factor was best viewed as reflecting nonspecific somatic distress rather than physiologic arousal. Finally, although differentiable in the strictest statistical sense, all three domains were significantly correlated (.36 to.86, absolute value). In particular, contrary to the tripartite model, positive and negative affect covaried markedly (-.81 to -.86). Findings raise issues concerning the utility of the tripartite model as a heuristic framework for enhancing understanding of individual differences in normal mood as well as mood disorders.

Study of the structure of yrast bands of neutron-rich 114-124Pd isotopes

NASA Astrophysics Data System (ADS)

Chaudhary, Ritu; Devi, Rani; Khosa, S. K.

2018-02-01

The projected shell model calculations have been carried out in the neutron-rich 114-124Pd isotopic mass chain. The results have been obtained for the deformation systematics of E(2+1) and E(4+1)/E({2}+1) values, BCS subshell occupation numbers, yrast spectra, backbending phenomena, B( E2) transition probabilities and g-factors in these nuclei. The observed systematics of E(2+1) values and R_{42} ratios in the 114-124Pd isotopic mass chain indicate that there is a decrease of collectivity as the neutron number increases from 68 to 78. The occurrence of backbending in these nuclei as well as the changes in the calculated B( E2) transition probabilities and g -factors predict that there are changes in the structure of yrast bands in these nuclei. These changes occur at the spin where there is crossing of g-band by 2-qp bands. The predicted backbendings and predicted values of B( E2)s and g-factors in some of the isotopes need to be confirmed experimentally.

The latent structure of post-traumatic stress disorder among Arabic-speaking refugees receiving psychiatric treatment in Denmark.

PubMed

Vindbjerg, Erik; Carlsson, Jessica; Mortensen, Erik Lykke; Elklit, Ask; Makransky, Guido

2016-09-05

Refugees are known to have high rates of post-traumatic stress disorder (PTSD). Although recent years have seen an increase in the number of refugees from Arabic speaking countries in the Middle East, no study so far has validated the construct of PTSD in an Arabic speaking sample of refugees. Responses to the Harvard Trauma Questionnaire (HTQ) were obtained from 409 Arabic-speaking refugees diagnosed with PTSD and undergoing treatment in Denmark. Confirmatory factor analysis was used to test and compare five alternative models. All four- and five-factor models provided sufficient fit indices. However, a combination of excessively small clusters, and a case of mistranslation in the official Arabic translation of the HTQ, rendered results two of the models inadmissible. A post hoc analysis revealed that a simpler factor structure is supported, once local dependence is addressed. Overall, the construct of PTSD is supported in this sample of Arabic-speaking refugees. Apart from pursuing maximum fit, future studies may wish to test simpler, potentially more stable models, which allow a more informative analysis of individual items.

Brain structural changes following adaptive cognitive training assessed by Tensor-Based Morphometry (TBM).

PubMed

Colom, Roberto; Hua, Xue; Martínez, Kenia; Burgaleta, Miguel; Román, Francisco J; Gunter, Jeffrey L; Carmona, Susanna; Jaeggi, Susanne M; Thompson, Paul M

2016-10-01

Tensor-Based Morphometry (TBM) allows the automatic mapping of brain changes across time building 3D deformation maps. This technique has been applied for tracking brain degeneration in Alzheimer's and other neurodegenerative diseases with high sensitivity and reliability. Here we applied TBM to quantify changes in brain structure after completing a challenging adaptive cognitive training program based on the n-back task. Twenty-six young women completed twenty-four training sessions across twelve weeks and they showed, on average, large cognitive improvements. High-resolution MRI scans were obtained before and after training. The computed longitudinal deformation maps were analyzed for answering three questions: (a) Are there differential brain structural changes in the training group as compared with a matched control group? (b) Are these changes related to performance differences in the training program? (c) Are standardized changes in a set of psychological factors (fluid and crystallized intelligence, working memory, and attention control) measured before and after training, related to structural changes in the brain? Results showed (a) greater structural changes for the training group in the temporal lobe, (b) a negative correlation between these changes and performance across training sessions (the greater the structural change, the lower the cognitive performance improvements), and (c) negligible effects regarding the psychological factors measured before and after training. Copyright © 2016 Elsevier Ltd. All rights reserved.

Single mode, broad-waveguide ARROW-type semiconductor diode lasers

NASA Astrophysics Data System (ADS)

Al-Muhanna, Abdulrahman Ali

A broad transverse waveguide (low confinement) concept is used to achieve a record-high spatially incoherent cw output power of 11W for InGaAs active devices (λ = 0.97 μm) from 100μm wide-stripe and 2mm-long devices with low internal loss, α1 = 1cm-1, and high characteristic temperatures, T0 = 210K, and T1 = 1800K. A detailed above-threshold analysis reveals that reduction in gain spatial hole burning (GSHB) is possible in ARROW-type structures by using a low transverse confinement factor; consequently, a wider ARROW-core can be utilized. By incorporating both a broad-waveguide concept as well as an asymmetric structure in the transverse direction, and an ARROW-type structure in the lateral direction, a novel single-spatial mode diode laser with improved performance is obtained. Devices with low transverse confinement factor (Γ ~ 1%) and a core-region width of 7.8 μm achieved 510mW single-spatial mode pulsed output power (λ = 0.946 μm) with a full- width at half-maximum (FWHM) of the lateral far-field pattern of 4.7°.

New fast least-squares algorithm for estimating the best-fitting parameters due to simple geometric-structures from gravity anomalies.

PubMed

Essa, Khalid S

2014-01-01

A new fast least-squares method is developed to estimate the shape factor (q-parameter) of a buried structure using normalized residual anomalies obtained from gravity data. The problem of shape factor estimation is transformed into a problem of finding a solution of a non-linear equation of the form f(q) = 0 by defining the anomaly value at the origin and at different points on the profile (N-value). Procedures are also formulated to estimate the depth (z-parameter) and the amplitude coefficient (A-parameter) of the buried structure. The method is simple and rapid for estimating parameters that produced gravity anomalies. This technique is used for a class of geometrically simple anomalous bodies, including the semi-infinite vertical cylinder, the infinitely long horizontal cylinder, and the sphere. The technique is tested and verified on theoretical models with and without random errors. It is also successfully applied to real data sets from Senegal and India, and the inverted-parameters are in good agreement with the known actual values.

Properties of ordered titanium templates covered with Au thin films for SERS applications

NASA Astrophysics Data System (ADS)

Grochowska, Katarzyna; Siuzdak, Katarzyna; Sokołowski, Michał; Karczewski, Jakub; Szkoda, Mariusz; Śliwiński, Gerard

2016-12-01

Currently, roughened metal nanostructures are widely studied as highly sensitive Raman scattering substrates that show application potential in biochemistry, food safety or medical diagnostic. In this work the structural properties and the enhancement effect due to surface enhanced Raman scattering (SERS) of highly ordered nano-patterned titanium templates covered with thin (5-20 nm) gold films are reported. The templates are formed by preparation of a dense structure of TiO2 nanotubes on a flat Ti surface (2 × 2 cm2) and their subsequent etching down to the substrate. SEM images reveal the formation of honeycomb nanostructures with the cavity diameter of 80 nm. Due to the strongly inhomogeneous distribution of the electromagnetic field in the vicinity of the Au film discontinuities the measured average enhancement factor (107-108) is markedly higher than observed for bare Ti templates. The enhancement factor and Raman signal intensity can be optimized by adjusting the process conditions and thickness of the deposited Au layer. Results confirm that the obtained structures can be used in surface enhanced sensing.

New fast least-squares algorithm for estimating the best-fitting parameters due to simple geometric-structures from gravity anomalies

PubMed Central

Essa, Khalid S.

2013-01-01

A new fast least-squares method is developed to estimate the shape factor (q-parameter) of a buried structure using normalized residual anomalies obtained from gravity data. The problem of shape factor estimation is transformed into a problem of finding a solution of a non-linear equation of the form f(q) = 0 by defining the anomaly value at the origin and at different points on the profile (N-value). Procedures are also formulated to estimate the depth (z-parameter) and the amplitude coefficient (A-parameter) of the buried structure. The method is simple and rapid for estimating parameters that produced gravity anomalies. This technique is used for a class of geometrically simple anomalous bodies, including the semi-infinite vertical cylinder, the infinitely long horizontal cylinder, and the sphere. The technique is tested and verified on theoretical models with and without random errors. It is also successfully applied to real data sets from Senegal and India, and the inverted-parameters are in good agreement with the known actual values. PMID:25685472

Structural and thermoelectric properties of n-type Sr1- x Ti x MnO3- δ perovskite system

NASA Astrophysics Data System (ADS)

Kim, C. M.; Seo, J. W.; Choi, S.-M.; Seo, W.-S.; Lee, S.; Lim, Y. S.; Park, K.

2015-03-01

A series of Sr1- x Ti x MnO3- δ (0.05 ≤ x ≤ 0.3) was fabricated by the solid-state reaction method. We studied the structural and thermoelectric properties of Sr1- x Ti x MnO3- δ , with respect to the partial substitution of Ti4+ for Sr2+. The sintered Sr1- x Ti x MnO3- δ crystallized in the hexagonal perovskite-type structure with a space group of P6 3 / mmc. For x ≤ 0.1, the partial substitution of Ti4+ for Sr2+ led to increases in the electrical conductivity and the absolute value of the Seebeck coefficient, thus enhancing the power factor. The highest power factor (2.5 × 10-5 Wm-1K-2) was obtained for Sr0.9Ti0.1MnO3- δ at 800°C. The partial substitution of Ti4+ for Sr2+ in SrMnO3- δ led to a significant improvement in the thermoelectric properties. [Figure not available: see fulltext.

[Masculinity and femininity scales: current state of the art].

PubMed

Fernández, Juan; Quiroga, María A; Del Olmo, Isabel; Rodríguez, Antonio

2007-08-01

A theoretical and empirical review of masculinity and femininity scales was carried out after 30 years of their existence. Hypotheses to be tested were: (a) muldimensionality versus bidimensionality; (b) inadequate percentage of variance accounted for (less than 50%); (c) inconsistency between factor structure and the dualistic model. 618, 200 and 287 students took part in each of the three studies that were carried out. Factorial analyses (PAF) were performed. Results support multidimensionality, unsatisfactory percentage of variance accounted for, and lack of congruence between obtained factors and the dualistic model. All these data were analysed within the context of the twofold sex and gender reality model.

Universal features of fluctuations in globular proteins.

PubMed

Erman, Burak

2016-06-01

Using data from 2000 non-homologous protein crystal structures, we show that the distribution of residue B factors of proteins collapses onto a single master curve. We show by maximum entropy arguments that this curve is a Gamma function whose order and dispersion are obtained from experimental data. The distribution for any given specific protein can be generated from the master curve by a linear transformation. Any perturbation of the B factor distribution of a protein, imposed at constant energy, causes a decrease in the entropy of the protein relative to that of the reference state. Proteins 2016; 84:721-725. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

In Silico Analysis of the Structural and Biochemical Features of the NMD Factor UPF1 in Ustilago maydis.

PubMed

Martínez-Montiel, Nancy; Morales-Lara, Laura; Hernández-Pérez, Julio M; Martínez-Contreras, Rebeca D

2016-01-01

The molecular mechanisms regulating the accuracy of gene expression are still not fully understood. Among these mechanisms, Nonsense-mediated Decay (NMD) is a quality control process that detects post-transcriptionally abnormal transcripts and leads them to degradation. The UPF1 protein lays at the heart of NMD as shown by several structural and functional features reported for this factor mainly for Homo sapiens and Saccharomyces cerevisiae. This process is highly conserved in eukaryotes but functional diversity can be observed in various species. Ustilago maydis is a basidiomycete and the best-known smut, which has become a model to study molecular and cellular eukaryotic mechanisms. In this study, we performed in silico analysis to investigate the structural and biochemical properties of the putative UPF1 homolog in Ustilago maydis. The putative homolog for UPF1 was recognized in the annotated genome for the basidiomycete, exhibiting 66% identity with its human counterpart at the protein level. The known structural and functional domains characteristic of UPF1 homologs were also found. Based on the crystal structures available for UPF1, we constructed different three-dimensional models for umUPF1 in order to analyze the secondary and tertiary structural features of this factor. Using these models, we studied the spatial arrangement of umUPF1 and its capability to interact with UPF2. Moreover, we identified the critical amino acids that mediate the interaction of umUPF1 with UPF2, ATP, RNA and with UPF1 itself. Mutating these amino acids in silico showed an important effect over the native structure. Finally, we performed molecular dynamic simulations for UPF1 proteins from H. sapiens and U. maydis and the results obtained show a similar behavior and physicochemical properties for the protein in both organisms. Overall, our results indicate that the putative UPF1 identified in U. maydis shows a very similar sequence, structural organization, mechanical stability, physicochemical properties and spatial organization in comparison to the NMD factor depicted for Homo sapiens. These observations strongly support the notion that human and fungal UPF1 could perform equivalent biological activities.

Adolescent depressive symptoms in India, Australia and USA: Exploratory Structural Equation Modelling of cross-national invariance and predictions by gender and age.

PubMed

Lewis, Andrew J; Rowland, Bosco; Tran, Aiden; Solomon, Renatti F; Patton, George C; Catalano, Richard F; Toumbourou, John W

2017-04-01

The present study compares depressive symptoms in adolescents from three countries: Mumbai, India; Seattle, United States; and Melbourne, Australia measured using the Short Moods and Feelings Questionnaire (SMFQ). The study cross nationally compares SMFQ depressive symptom responses by age and gender. Data from a cross-nationally matched survey were used to compare factorial and measurement characteristics from samples of students from Grade 7 and 9 in Mumbai, India (n=3268) with the equivalent cohorts in the Washington State, USA (n=1907) and Victoria, Australia (n=1900). Exploratory Structural Equation Modelling (ESEM) was used to cross-nationally examine factor structure and measurement invariance. A number of reports suggesting that SMFQ is uni-dimensional were not supported in findings from any country. A model with two factors was a better fit and suggested a first factor clustering symptoms that were affective and physiologically based symptoms and a second factor of self-critical, cognitive symptoms. The two-factor model showed convincing cross national configural invariance and acceptable measurement invariance. The present findings revealed that adolescents in Mumbai, India, reported substantially higher depressive symptoms in both factors, but particularly for the self-critical dimension, as compared to their peers in Australia and the USA and that males in Mumbai report high levels of depressive symptoms than females in Mumbai. the cross sectional study collected data for adolescents in Melbourne and Seattle in 2002 and the data for adolescents in Mumbai was obtained in 2010-2011 CONCLUSIONS: These findings suggest that previous findings in developed nations of higher depressive symptoms amongst females compared to males may have an important cultural component and cannot be generalised as a universal feature of adolescent development. Copyright © 2017 Elsevier B.V. All rights reserved.

Measuring immigration stress of first-generation female Korean immigrants in California: psychometric evaluation of Demand of Immigration Scale.

PubMed

Ding, Ding; Hofstetter, C Richard; Norman, Gregory J; Irvin, Veronica L; Chhay, Douglas; Hovell, Melbourne F

2011-02-01

Immigration involves challenges and distress, which affect health and well-being of immigrants. Koreans are a recent, fast-growing, but understudied group of immigrants in the USA, and no study has established or evaluated any immigration stress measure among this population. This study explores psychometric properties of Korean-translated Demands of Immigration (DI) Scale among first-generation female Korean immigrants in California. Analyses included evaluation of factor structure, reliability, validity, and descriptive statistics of subscales. A surname-driven sampling strategy was applied to randomly select a representative sample of adult female Korean immigrants in California. Telephone interviews were conducted by trained bilingual interviewers. Study sample included 555 first-generation female Korean immigrants who were interviewed in Korean language. The 22-item DI Scale was used to assess immigration stress in the study sample. Exploratory factor analysis suggested six correlated factors in the DI Scale: language barriers; sense of loss; not feeling at home; perceived discrimination; novelty; and occupation. Confirmatory factor analysis validated the factor structure. Language barriers accounted for the most variance of the DI Scale (29.11%). The DI Scale demonstrated good internal consistency reliability and construct validity. Evidence has been offered that the Korean-translated DI Scale is a reliable and valid measurement tool to examine immigration stress among Korean immigrants. The Korean-translated DI Scale has replicated factor structure obtained in other ethnicities, but addition of cultural-specific items is suggested for Korean immigrants. High levels of language and occupation-related stress warrant attention from researchers, social workers, and policy-makers. Findings from this study will inform future interventions to alleviate stress due to demands of immigration.

Factor structure and diagnostic efficiency of the Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition, criteria for avoidant personality disorder in Hispanic men and women with substance use disorders.

PubMed

Becker, Daniel F; Añez, Luis Miguel; Paris, Manuel; Bedregal, Luis; Grilo, Carlos M

2009-01-01

This study examined the internal consistency, factor structure, and diagnostic efficiency of the Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition (DSM-IV), criteria for avoidant personality disorder (AVPD) and the extent to which these metrics may be affected by sex. Subjects were 130 monolingual Hispanic adults (90 men, 40 women) who had been admitted to a specialty clinic that provides psychiatric and substance abuse services to Spanish-speaking patients. All were reliably assessed with the Spanish-Language Version of the Diagnostic Interview for DSM-IV Personality Disorders. The AVPD diagnosis was determined by the best-estimate method. After evaluating internal consistency of the AVPD criterion set, an exploratory factor analysis was performed using principal components extraction. Afterward, diagnostic efficiency indices were calculated for all AVPD criteria. Subsequent analyses examined men and women separately. For the overall group, internal consistency of AVPD criteria was good. Exploratory factor analysis revealed a 1-factor solution (accounting for 70% of the variance), supporting the unidimensionality of the AVPD criterion set. The best inclusion criterion was "reluctance to take risks," whereas "interpersonally inhibited" was the best exclusion criterion and the best predictor overall. When men and women were examined separately, similar results were obtained for both internal consistency and factor structure, with slight variations noted between sexes in the patterning of diagnostic efficiency indices. These psychometric findings, which were similar for men and women, support the construct validity of the DSM-IV criteria for AVPD and may also have implications for the treatment of this particular clinical population.

Bulk unipolar diodes formed in GaAs by ion implantation

NASA Astrophysics Data System (ADS)

Hutchinson, S.; Kelly, M. J.; Gwilliam, R.; Sealy, B. J.; Carr, M.

1999-01-01

In an attempt to emulate epitaxially manufactured semiconductor multilayers for microwave device applications, we have produced a camel diode structure in GaAs for the first time, using the tail of a Mg + implant into a molecular beam epitaxially grown n +-n --n + structure. Using a range of ion energies and doses, samples are observed to exhibit bulk unipolar diode characteristics. With low dose and energy, a diode with barrier height of ˜0.8 V and ideality factor ˜1.25 is achieved. 'Punch through' diode characteristics are obtained at high ion dose and energy, some with knee voltages in excess of 7 V.

Morphology and electronic structure of nanoscale powders of calcium hydroxyapatite

NASA Astrophysics Data System (ADS)

Kurgan, Nataly; Karbivskyy, Volodymyr; Kasyanenko, Vasyl

2015-02-01

Atomic force microscopy, infrared spectroscopy and NMR studied morphological and physicochemical properties of calcium hydroxyapatite powders produced by changing the temperature parameters of synthesis. Features of morphology formation of calcium hydroxyapatite nanoparticles with an annealing temperature within 200°C to 1,100°C were determined. It is shown that the particle size of the apatite obtained that annealed 700°C is 40 nm corresponding to the particle size of apatite in native bone. The effect of dimension factor on structural parameters of calcium hydroxyapatite is manifested in a more local symmetry of the PO4 3- tetrahedra at nanodispersed calcium hydroxyapatite.

Sub-100 nm resolution microscopy based on proximity projection grating scheme

PubMed Central

Hu, Feng; Somekh, Michael G.; Albutt, Darren J.; Webb, Kevin; Moradi, Emilia; See, Chung W.

2015-01-01

Structured illumination microscopy (SIM) has been widely used in life science imaging applications. The maximum resolution improvement of SIM, compared to conventional bright field system is a factor of 2. Here we present an approach to structured illumination microscopy using the proximity projection grating scheme (PPGS), which has the ability to further enhance the SIM resolution without invoking any nonlinearity response from the sample. With the PPGS-based SIM, sub-100 nm resolution has been obtained experimentally, and results corresponding to 2.4 times resolution improvement are presented. Furthermore, it will be shown that an improvement of greater than 3 times can be achieved. PMID:25715953

Impulsivity, Mental Disorder, and Suicide in Rural China

PubMed Central

Lin, Lin; Zhang, Jie

2017-01-01

Aims The purpose of this study was to investigate the relationship among impulsivity, mental disorder, and suicide with a sample of rural young Chinese. Methods Subjects were 392 consecutively recruited male and female suicides aged 15–34 years and 416 community male and female controls of the same age range sampled in rural China. The case-control data were obtained using psychological autopsy method with structured and semi-structured instruments. Results Dysfunctional impulsivity was a significant risk factor regardless of mental disorder in rural China. Conclusions Dysfunctional impulsivity is a potential area for further study of suicidal behavior. The suicide prevention efforts in rural China may address impulsivity. PMID:25764273

Protoplast formation and yeast cell-wall structure. The action of the enzymes of the snail, Helix pomatia

PubMed Central

Anderson, F. B.; Millbank, J. W.

1966-01-01

1. The digestive juice of the snail Helix pomatia was used in the study of the degradation of isolated cell-wall preparations from a strain of Saccharomyces carlsbergensis. 2. The crude enzyme system was fractionated by gel filtration and the activities of the more specific fractions thus obtained were examined. 3. Results are discussed with respect to (a) the nature of various factors that are essential for protoplast formation and cell-wall dissolution and (b) structures envisaged in yeast cell walls that are responsible for the observed variations in susceptibility to attack by snail juice. PMID:5964965

Computational study of the melting-freezing transition in the quantum hard-sphere system for intermediate densities. II. Structural features.

PubMed

Sesé, Luis M; Bailey, Lorna E

2007-04-28

The structural features of the quantum hard-sphere system in the region of the fluid-face-centered-cubic-solid transition, for reduced number densities 0.45

The Box-Cox power transformation on nursing sensitive indicators: Does it matter if structural effects are omitted during the estimation of the transformation parameter?

PubMed Central

2011-01-01

Background Many nursing and health related research studies have continuous outcome measures that are inherently non-normal in distribution. The Box-Cox transformation provides a powerful tool for developing a parsimonious model for data representation and interpretation when the distribution of the dependent variable, or outcome measure, of interest deviates from the normal distribution. The objectives of this study was to contrast the effect of obtaining the Box-Cox power transformation parameter and subsequent analysis of variance with or without a priori knowledge of predictor variables under the classic linear or linear mixed model settings. Methods Simulation data from a 3 × 4 factorial treatments design, along with the Patient Falls and Patient Injury Falls from the National Database of Nursing Quality Indicators (NDNQI®) for the 3rd quarter of 2007 from a convenience sample of over one thousand US hospitals were analyzed. The effect of the nonlinear monotonic transformation was contrasted in two ways: a) estimating the transformation parameter along with factors with potential structural effects, and b) estimating the transformation parameter first and then conducting analysis of variance for the structural effect. Results Linear model ANOVA with Monte Carlo simulation and mixed models with correlated error terms with NDNQI examples showed no substantial differences on statistical tests for structural effects if the factors with structural effects were omitted during the estimation of the transformation parameter. Conclusions The Box-Cox power transformation can still be an effective tool for validating statistical inferences with large observational, cross-sectional, and hierarchical or repeated measure studies under the linear or the mixed model settings without prior knowledge of all the factors with potential structural effects. PMID:21854614

The Box-Cox power transformation on nursing sensitive indicators: does it matter if structural effects are omitted during the estimation of the transformation parameter?

PubMed

Hou, Qingjiang; Mahnken, Jonathan D; Gajewski, Byron J; Dunton, Nancy

2011-08-19

Many nursing and health related research studies have continuous outcome measures that are inherently non-normal in distribution. The Box-Cox transformation provides a powerful tool for developing a parsimonious model for data representation and interpretation when the distribution of the dependent variable, or outcome measure, of interest deviates from the normal distribution. The objectives of this study was to contrast the effect of obtaining the Box-Cox power transformation parameter and subsequent analysis of variance with or without a priori knowledge of predictor variables under the classic linear or linear mixed model settings. Simulation data from a 3 × 4 factorial treatments design, along with the Patient Falls and Patient Injury Falls from the National Database of Nursing Quality Indicators (NDNQI® for the 3rd quarter of 2007 from a convenience sample of over one thousand US hospitals were analyzed. The effect of the nonlinear monotonic transformation was contrasted in two ways: a) estimating the transformation parameter along with factors with potential structural effects, and b) estimating the transformation parameter first and then conducting analysis of variance for the structural effect. Linear model ANOVA with Monte Carlo simulation and mixed models with correlated error terms with NDNQI examples showed no substantial differences on statistical tests for structural effects if the factors with structural effects were omitted during the estimation of the transformation parameter. The Box-Cox power transformation can still be an effective tool for validating statistical inferences with large observational, cross-sectional, and hierarchical or repeated measure studies under the linear or the mixed model settings without prior knowledge of all the factors with potential structural effects.

Multivariate dynamical modelling of structural change during development.

PubMed

Ziegler, Gabriel; Ridgway, Gerard R; Blakemore, Sarah-Jayne; Ashburner, John; Penny, Will

2017-02-15

Here we introduce a multivariate framework for characterising longitudinal changes in structural MRI using dynamical systems. The general approach enables modelling changes of states in multiple imaging biomarkers typically observed during brain development, plasticity, ageing and degeneration, e.g. regional gray matter volume of multiple regions of interest (ROIs). Structural brain states follow intrinsic dynamics according to a linear system with additional inputs accounting for potential driving forces of brain development. In particular, the inputs to the system are specified to account for known or latent developmental growth/decline factors, e.g. due to effects of growth hormones, puberty, or sudden behavioural changes etc. Because effects of developmental factors might be region-specific, the sensitivity of each ROI to contributions of each factor is explicitly modelled. In addition to the external effects of developmental factors on regional change, the framework enables modelling and inference about directed (potentially reciprocal) interactions between brain regions, due to competition for space, or structural connectivity, and suchlike. This approach accounts for repeated measures in typical MRI studies of development and aging. Model inversion and posterior distributions are obtained using earlier established variational methods enabling Bayesian evidence-based comparisons between various models of structural change. Using this approach we demonstrate dynamic cortical changes during brain maturation between 6 and 22 years of age using a large openly available longitudinal paediatric dataset with 637 scans from 289 individuals. In particular, we model volumetric changes in 26 bilateral ROIs, which cover large portions of cortical and subcortical gray matter. We account for (1) puberty-related effects on gray matter regions; (2) effects of an early transient growth process with additional time-lag parameter; (3) sexual dimorphism by modelling parameter differences between boys and girls. There is evidence that the regional pattern of sensitivity to dynamic hidden growth factors in late childhood is similar across genders and shows a consistent anterior-posterior gradient with strongest impact to prefrontal cortex (PFC) brain changes. Finally, we demonstrate the potential of the framework to explore the coupling of structural changes across a priori defined subnetworks using an example of previously established resting state functional connectivity. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

A Bivariate Genetic Analysis of Drug Abuse ascertained through medical and criminal registries in Swedish Twins, Siblings and Half-Siblings

PubMed Central

Maes, Hermine H.; Neale, Michael C.; Ohlsson, Henrik; Zahery, Mahsa; Lichtenstein, Paul; Sundquist, Kristina; Sundquist, Jan; Kendler, Kenneth S.

2016-01-01

Objective Using Swedish nationwide registry data, the authors investigated the correlation of genetic and environmental risk factors in the etiology of drug abuse as ascertained from medical and criminal registries by modeling twin and sibling data. Methods Medical drug abuse was defined using public inpatient and outpatient records, while criminal drug abuse was ascertained through legal records. Twin, full and half sibling pairs were obtained from the national twin and genealogical registers. Information about sibling pair residence within the same household was obtained from Statistics Sweden. Standard bivariate genetic structural equation modeling was applied to the population-based data on drug abuse ascertained through medical and crime registries, using OpenMx. Results Analyses of all possible pairs of twins (MZ: N=4,482; DZ: N=9,838 pairs), full- (N=1,278,086) and half-siblings (paternal: N=7,767; maternal N=70,553) who grew up together suggested that factors explaining familial resemblance for drug abuse as defined through medical or criminal registries were mostly the same. Results showed substantial heritability and moderate contributions of shared environmental factors to drug abuse; both were higher in males versus females, and higher for drug abuse ascertained through criminal than medical records. Because of the low prevalence of both assessments of drug abuse, having access to population data was crucial to obtain stable estimates. Conclusions Using objective registry data, the authors found that drug abuse - whether ascertained through medical versus criminal records - was highly heritable. Furthermore, shared environmental factors contributed significantly to the liability of drug abuse. Genetic and shared environmental risk factors for these two forms of drug abuse were highly correlated. PMID:27480873

A Bivariate Genetic Analysis of Drug Abuse Ascertained Through Medical and Criminal Registries in Swedish Twins, Siblings and Half-Siblings.

PubMed

Maes, Hermine H; Neale, Michael C; Ohlsson, Henrik; Zahery, Mahsa; Lichtenstein, Paul; Sundquist, Kristina; Sundquist, Jan; Kendler, Kenneth S

2016-11-01

Using Swedish nationwide registry data, the authors investigated the correlation of genetic and environmental risk factors in the etiology of drug abuse as ascertained from medical and criminal registries by modeling twin and sibling data. Medical drug abuse was defined using public inpatient and outpatient records, while criminal drug abuse was ascertained through legal records. Twin, full and half sibling pairs were obtained from the national twin and genealogical registers. Information about sibling pair residence within the same household was obtained from Statistics Sweden. Standard bivariate genetic structural equation modeling was applied to the population-based data on drug abuse ascertained through medical and crime registries, using OpenMx. Analyses of all possible pairs of twins (MZ: N = 4482; DZ: N = 9838 pairs), full- (N = 1,278,086) and half-siblings (paternal: N = 7767; maternal N = 70,553) who grew up together suggested that factors explaining familial resemblance for drug abuse as defined through medical or criminal registries were mostly the same. Results showed substantial heritability and moderate contributions of shared environmental factors to drug abuse; both were higher in males versus females, and higher for drug abuse ascertained through criminal than medical records. Because of the low prevalence of both assessments of drug abuse, having access to population data was crucial to obtain stable estimates. Using objective registry data, the authors found that drug abuse-whether ascertained through medical versus criminal records-was highly heritable. Furthermore, shared environmental factors contributed significantly to the liability of drug abuse. Genetic and shared environmental risk factors for these two forms of drug abuse were highly correlated.

The plasma filling factor of coronal bright points. II. Combined EIS and TRACE results

NASA Astrophysics Data System (ADS)

Dere, K. P.

2009-04-01

Aims: In a previous paper, the volumetric plasma filling factor of coronal bright points was determined from spectra obtained with the Extreme ultraviolet Imaging Spectrometer (EIS). The analysis of these data showed that the median plasma filling factor was 0.015. One interpretation of this result was that the small filling factor was consistent with a single coronal loop with a width of 1-2´´, somewhat below the apparent width. In this paper, higher spatial resolution observations with the Transition Region and Corona Explorer (TRACE) are used to test this interpretation. Methods: Rastered spectra of regions of the quiet Sun were recorded by the EIS during operations with the Hinode satellite. Many of these regions were simultaneously observed with TRACE. Calibrated intensities of Fe xii lines were obtained and images of the quiet corona were constructed from the EIS measurements. Emission measures were determined from the EIS spectra and geometrical widths of coronal bright points were obtained from the TRACE images. Electron densities were determined from density-sensitive line ratios measured with EIS. A comparison of the emission measure and bright point widths with the electron densities yielded the plasma filling factor. Results: The median electron density of coronal bright points is 3 × 109 cm-3 at a temperature of 1.6 × 106 K. The volumetric plasma filling factor of coronal bright points was found to vary from 3 × 10-3 to 0.3 with a median value of 0.04. Conclusions: The current set of EIS and TRACE coronal bright-point observations indicate the median value of their plasma filling factor is 0.04. This can be interpreted as evidence of a considerable subresolution structure in coronal bright points or as the result of a single completely filled plasma loop with widths on the order of 0.2-1.5´´ that has not been spatially resolved in these measurements.

Use of 1–4 interaction scaling factors to control the conformational equilibrium between α-helix and β-strand

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

Pang, Yuan-Ping, E-mail: pang@mayo.edu

Highlights: • 1–4 interaction scaling factors are used to adjust conformational energy. • This article reports the effects of these factors on protein conformations. • Reducing these factors changes a helix to a strand in molecular dynamics simulation. • Increasing these factors causes the reverse conformational change. • These factors control the conformational equilibrium between helix and strand. - Abstract: 1–4 interaction scaling factors are used in AMBER forcefields to reduce the exaggeration of short-range repulsion caused by the 6–12 Lennard-Jones potential and a nonpolarizable charge model and to obtain better agreements of small-molecule conformational energies with experimental data. However,more » the effects of these scaling factors on protein secondary structure conformations have not been investigated until now. This article reports the finding that the 1–4 interactions among the protein backbone atoms separated by three consecutive covalent bonds are more repulsive in the α-helix conformation than in two β-strand conformations. Therefore, the 1–4 interaction scaling factors of protein backbone torsions ϕ and ψ control the conformational equilibrium between α-helix and β-strand. Molecular dynamics simulations confirm that reducing the ϕ and ψ scaling factors readily converts the α-helix conformation of AcO-(AAQAA){sub 3}-NH{sub 2} to a β-strand conformation, and the reverse occurs when these scaling factors are increased. These results suggest that the ϕ and ψ scaling factors can be used to generate the α-helix or β-strand conformation in situ and to control the propensities of a forcefield for adopting secondary structure elements.« less

Health Sciences-Evidence Based Practice questionnaire (HS-EBP) for measuring transprofessional evidence-based practice: Creation, development and psychometric validation

PubMed Central

Fernández-Domínguez, Juan Carlos; de Pedro-Gómez, Joan Ernest; Morales-Asencio, José Miguel; Sastre-Fullana, Pedro; Sesé-Abad, Albert

2017-01-01

Introduction Most of the EBP measuring instruments available to date present limitations both in the operationalisation of the construct and also in the rigour of their psychometric development, as revealed in the literature review performed. The aim of this paper is to provide rigorous and adequate reliability and validity evidence of the scores of a new transdisciplinary psychometric tool, the Health Sciences Evidence-Based Practice (HS-EBP), for measuring the construct EBP in Health Sciences professionals. Methods A pilot study and a subsequent two-stage validation test sample were conducted to progressively refine the instrument until a reduced 60-item version with a five-factor latent structure. Reliability was analysed through both Cronbach’s alpha coefficient and intraclass correlations (ICC). Latent structure was contrasted using confirmatory factor analysis (CFA) following a model comparison aproach. Evidence of criterion validity of the scores obtained was achieved by considering attitudinal resistance to change, burnout, and quality of professional life as criterion variables; while convergent validity was assessed using the Spanish version of the Evidence-Based Practice Questionnaire (EBPQ-19). Results Adequate evidence of both reliability and ICC was obtained for the five dimensions of the questionnaire. According to the CFA model comparison, the best fit corresponded to the five-factor model (RMSEA = 0.049; CI 90% RMSEA = [0.047; 0.050]; CFI = 0.99). Adequate criterion and convergent validity evidence was also provided. Finally, the HS-EBP showed the capability to find differences between EBP training levels as an important evidence of decision validity. Conclusions Reliability and validity evidence obtained regarding the HS-EBP confirm the adequate operationalisation of the EBP construct as a process put into practice to respond to every clinical situation arising in the daily practice of professionals in health sciences (transprofessional). The tool could be useful for EBP individual assessment and for evaluating the impact of specific interventions to improve EBP. PMID:28486533

A novel evaluation method for extrapolated retention factor in determination of n-octanol/water partition coefficient of halogenated organic pollutants by reversed-phase high performance liquid chromatography.

PubMed

Han, Shu-ying; Liang, Chao; Qiao, Jun-qin; Lian, Hong-zhen; Ge, Xin; Chen, Hong-yuan

2012-02-03

The retention factor corresponding to pure water in reversed-phase high performance liquid chromatography (RP-HPLC), k(w), was commonly obtained by extrapolation of retention factor (k) in a mixture of organic modifier and water as mobile phase in tedious experiments. In this paper, a relationship between logk(w) and logk for directly determining k(w) has been proposed for the first time. With a satisfactory validation, the approach was confirmed to enable easy and accurate evaluation of k(w) for compounds in question with similar structure to model compounds. Eight PCB congeners with different degree of chlorination were selected as a training set for modeling the logk(w)-logk correlation on both silica-based C(8) and C(18) stationary phases to evaluate logk(w) of sample compounds including seven PCB, six PBB and eight PBDE congeners. These eight model PCBs were subsequently combined with seven structure-similar benzene derivatives possessing reliable experimental K(ow) values as a whole training set for logK(ow)-logk(w) regressions on the two stationary phases. Consequently, the evaluated logk(w) values of sample compounds were used to determine their logK(ow) by the derived logK(ow)-logk(w) models. The logK(ow) values obtained by these evaluated logk(w) were well comparable with those obtained by experimental-extrapolated logk(w), demonstrating that the proposed method for logk(w) evaluation in this present study could be an effective means in lipophilicity study of environmental contaminants with numerous congeners. As a result, logK(ow) data of many PCBs, PBBs and PBDEs could be offered. These contaminants are considered to widely exist in the environment, but there have been no reliable experimental K(ow) data available yet. Copyright © 2011 Elsevier B.V. All rights reserved.

Health Sciences-Evidence Based Practice questionnaire (HS-EBP) for measuring transprofessional evidence-based practice: Creation, development and psychometric validation.

PubMed

Fernández-Domínguez, Juan Carlos; de Pedro-Gómez, Joan Ernest; Morales-Asencio, José Miguel; Bennasar-Veny, Miquel; Sastre-Fullana, Pedro; Sesé-Abad, Albert

2017-01-01

Most of the EBP measuring instruments available to date present limitations both in the operationalisation of the construct and also in the rigour of their psychometric development, as revealed in the literature review performed. The aim of this paper is to provide rigorous and adequate reliability and validity evidence of the scores of a new transdisciplinary psychometric tool, the Health Sciences Evidence-Based Practice (HS-EBP), for measuring the construct EBP in Health Sciences professionals. A pilot study and a subsequent two-stage validation test sample were conducted to progressively refine the instrument until a reduced 60-item version with a five-factor latent structure. Reliability was analysed through both Cronbach's alpha coefficient and intraclass correlations (ICC). Latent structure was contrasted using confirmatory factor analysis (CFA) following a model comparison aproach. Evidence of criterion validity of the scores obtained was achieved by considering attitudinal resistance to change, burnout, and quality of professional life as criterion variables; while convergent validity was assessed using the Spanish version of the Evidence-Based Practice Questionnaire (EBPQ-19). Adequate evidence of both reliability and ICC was obtained for the five dimensions of the questionnaire. According to the CFA model comparison, the best fit corresponded to the five-factor model (RMSEA = 0.049; CI 90% RMSEA = [0.047; 0.050]; CFI = 0.99). Adequate criterion and convergent validity evidence was also provided. Finally, the HS-EBP showed the capability to find differences between EBP training levels as an important evidence of decision validity. Reliability and validity evidence obtained regarding the HS-EBP confirm the adequate operationalisation of the EBP construct as a process put into practice to respond to every clinical situation arising in the daily practice of professionals in health sciences (transprofessional). The tool could be useful for EBP individual assessment and for evaluating the impact of specific interventions to improve EBP.

StatisticAl Characteristics of Cloud over Beijing, China Obtained FRom Ka band Doppler Radar Observation

NASA Astrophysics Data System (ADS)

LIU, J.; Bi, Y.; Duan, S.; Lu, D.

2017-12-01

It is well-known that cloud characteristics, such as top and base heights and their layering structure of micro-physical parameters, spatial coverage and temporal duration are very important factors influencing both radiation budget and its vertical partitioning as well as hydrological cycle through precipitation data. Also, cloud structure and their statistical distribution and typical values will have respective characteristics with geographical and seasonal variation. Ka band radar is a powerful tool to obtain above parameters around the world, such as ARM cloud radar at the Oklahoma US, Since 2006, Cloudsat is one of NASA's A-Train satellite constellation, continuously observe the cloud structure with global coverage, but only twice a day it monitor clouds over same local site at same local time.By using IAP Ka band Doppler radar which has been operating continuously since early 2013 over the roof of IAP building in Beijing, we obtained the statistical characteristic of clouds, including cloud layering, cloud top and base heights, as well as the thickness of each cloud layer and their distribution, and were analyzed monthly and seasonal and diurnal variation, statistical analysis of cloud reflectivity profiles is also made. The analysis covers both non-precipitating clouds and precipitating clouds. Also, some preliminary comparison of the results with Cloudsat/Calipso products for same period and same area are made.

Single-diffractive production of dijets within the kt-factorization approach

NASA Astrophysics Data System (ADS)

Łuszczak, Marta; Maciuła, Rafał; Szczurek, Antoni; Babiarz, Izabela

2017-09-01

We discuss single-diffractive production of dijets. The cross section is calculated within the resolved Pomeron picture, for the first time in the kt-factorization approach, neglecting transverse momentum of the Pomeron. We use Kimber-Martin-Ryskin unintegrated parton (gluon, quark, antiquark) distributions in both the proton as well as in the Pomeron or subleading Reggeon. The unintegrated parton distributions are calculated based on conventional mmht2014nlo parton distribution functions in the proton and H1 Collaboration diffractive parton distribution functions used previously in the analysis of diffractive structure function and dijets at HERA. For comparison, we present results of calculations performed within the collinear-factorization approach. Our results remain those obtained in the next-to-leading-order approach. The calculation is (must be) supplemented by the so-called gap survival factor, which may, in general, depend on kinematical variables. We try to describe the existing data from Tevatron and make detailed predictions for possible LHC measurements. Several differential distributions are calculated. The E¯T, η ¯ and xp ¯ distributions are compared with the Tevatron data. A reasonable agreement is obtained for the first two distributions. The last one requires introducing a gap survival factor which depends on kinematical variables. We discuss how the phenomenological dependence on one kinematical variable may influence dependence on other variables such as E¯T and η ¯. Several distributions for the LHC are shown.

DSM-IV Personality Disorders and Associations with Externalizing and Internalizing Disorders: Results from the National Epidemiologic Survey on Alcohol and Related Conditions

PubMed Central

Harford, Thomas C.; Chen, Chiung M.; Saha, Tulshi D.; Smith, Sharon M.; Ruan, W. June; Grant, Bridget F.

2013-01-01

Background Although associations between personality disorders and psychiatric disorders are well established in general population studies, their association with liability dimensions for externalizing and internalizing disorders has not been fully assessed. The purpose of this study is to examine associations between personality disorders (PDs) and lifetime externalizing and internalizing Axis I disorders. Methods Data were obtained from the total sample of 34,653 respondents from Wave 2 of the National Epidemiologic Survey on Alcohol and Related Conditions (NESARC). Drawing on the literature, a 3-factor exploratory structural equation model was selected to simultaneously assess the measurement relations among DSM-IV Axis I substance use and mood and anxiety disorders and the structural relations between the latent internalizing-externalizing dimensions and DSM-IV PDs, adjusting for gender, age, race/ethnicity, and marital status. Results Antisocial, histrionic, and borderline PDs were strong predictors for the externalizing factor, while schizotypal, borderline, avoidant, and obsessive-compulsive PDs had significantly larger effects on the internalizing fear factor when compared to the internalizing misery factor. Paranoid, schizoid, narcissistic, and dependent PDs provided limited discrimination between and among the three factors. An overarching latent factor representing general personality dysfunction was significantly greater on the internalizing fear factor followed by the externalizing factor, and weakest for the internalizing misery factor. Conclusion Personality disorders offer important opportunities for studies on the externalizing-internalizing spectrum of common psychiatric disorders. Future studies based on panic, anxiety, and depressive symptoms may elucidate PD associations with the internalizing spectrum of disorders. PMID:23932575

DSM-IV personality disorders and associations with externalizing and internalizing disorders: results from the National Epidemiologic Survey on Alcohol and Related Conditions.

PubMed

Harford, Thomas C; Chen, Chiung M; Saha, Tulshi D; Smith, Sharon M; Ruan, W June; Grant, Bridget F

2013-11-01

Although associations between personality disorders and psychiatric disorders are well established in general population studies, their association with liability dimensions for externalizing and internalizing disorders has not been fully assessed. The purpose of this study is to examine associations between personality disorders (PDs) and lifetime externalizing and internalizing Axis I disorders. Data were obtained from the total sample of 34,653 respondents from Wave 2 of the National Epidemiologic Survey on Alcohol and Related Conditions (NESARC). Drawing on the literature, a 3-factor exploratory structural equation model was selected to simultaneously assess the measurement relations among DSM-IV Axis I substance use and mood and anxiety disorders and the structural relations between the latent internalizing-externalizing dimensions and DSM-IV PDs, adjusting for gender, age, race/ethnicity, and marital status. Antisocial, histrionic, and borderline PDs were strong predictors for the externalizing factor, while schizotypal, borderline, avoidant, and obsessive-compulsive PDs had significantly larger effects on the internalizing fear factor when compared to the internalizing misery factor. Paranoid, schizoid, narcissistic, and dependent PDs provided limited discrimination between and among the three factors. An overarching latent factor representing general personality dysfunction was significantly greater on the internalizing fear factor followed by the externalizing factor, and weakest for the internalizing misery factor. Personality disorders offer important opportunities for studies on the externalizing-internalizing spectrum of common psychiatric disorders. Future studies based on panic, anxiety, and depressive symptoms may elucidate PD associations with the internalizing spectrum of disorders. Published by Elsevier Ltd.

Self-organization of local magnetoplasma structures in the upper layers of the solar convection zone

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

Chumak, O. V., E-mail: chuo@yandex.ru

Self-organization and evolution of magnetoplasma structures in the upper layers of the solar convection zone are discussed as a process of diffuse aggregation of magnetic flux tubes. Equations describing the tube motion under the action of magnetic interaction forces, hydrodynamic forces, and random forces are written explicitly. The process of aggregation of magnetic flux tubes into magnetic flux clusters of different shapes and dimensions is simulated numerically. The obtained structures are compared with the observed morphological types of sunspot groups. The quantitative comparison with the observational data was performed by comparing the fractal dimensions of the photospheric magnetic structures observedmore » in solar active regions with those of structures obtained in the numerical experiment. The model has the following free parameters: the numbers of magnetic flux tubes with opposite polarities on the considered area element (Nn and Ns), the average radius of the cross section of the magnetic flux tube (a), its effective length (l), the twist factor of the tube field (k), and the absolute value of the average velocity of chaotic tube displacements (d). Variations in these parameters in physically reasonable limits leads to the formation of structures (tube clusters of different morphological types) having different fractal dimensions. Using the NOAA 10488 active region, which appeared and developed into a complicated configuration near the central meridian, as an example, it is shown that good quantitative agreement between the fractal dimensions is achieved at the following parameters of the model: Nn = Ns = 250 ± 50; a = 150 ± 50 km; l ∼ 5000 km, and d = 80 ± 10 m/s. These results do not contradict the observational data and theoretical estimates obtained in the framework of the Parker “spaghetti” model and provide new information on the physical processes resulting in the origin and evolution of local magnetic plasma structures in the near-photospheric layers of the solar convection zone.« less

[Spanish version of Adonis Complex Questionnaire. A questionnaire to test the muscle dimorphism and vigorexy].

PubMed

Latorre-Román, Pedro Ángel; Garrido-Ruiz, Antonio; García-Pinillos, Felipe

2014-11-08

To validate the Spanish version of Adonis Complex Questionnaire in bodybuilders. Participants included 99 bodybuilders who train regularly (age: 25.45±5.19 y; BMI=24.53±1.89). In order to test the discriminant and concurrent validity the Exercise Dependence Scale-Revised (EDS-R) and the Eating Attitudes Test (EAT-26) were used. The scale's psychometric properties were obtained through a concurrent validity process, factorial analysis of principal components, internal consistency, and test-retest reliability. The internal consistency of this questionnaire was high (Cronbach's Alpha= 0.880) in total scale. The intraclass correlation coefficient (ICC) to test the temporal consistency of the questionnaire was 0.707 (95% IC=0.336- 0.871). The questionnaire obtained concurrent validity with the EDS-R (r=0.613, p<0.001), and EAT-26 (r=0.422, p<0.001). The results have shown a three-factor structure Factor 1: psychosocial effect of physical appearance, Factor 2: control of physical appearance, Factor 3: concern about physical appearance which explain 65.29% of variance. The Adonis Complex Questionnaire shows a proper psychometric properties and it is a valid and reliable measure of vigorexy and muscle dimorphism in bodybuilders. Copyright AULA MEDICA EDICIONES 2014. Published by AULA MEDICA. All rights reserved.

[Key morphofunctional transformations in the evolution of chiropterans (Bats, Chiroptera)].

PubMed

Kovaleva, I M

2014-01-01

Study on the morphology and morphogenesis of wing membranes in Bats has revealed some peculiarities in their structure and development. Understanding the embryogenesis of these animals, as well as attraction of data obtained on their molecular genetics and paleontology, allows one to single out some factors that could have initiated evolutionary modifications in development programs. A scenario of the key morphofunctional transformations in the forelimbs during the evolution of chiropterans is given.

Novel algebraic aspects of Liouvillian integrability for two-dimensional polynomial dynamical systems

NASA Astrophysics Data System (ADS)

Demina, Maria V.

2018-05-01

The general structure of irreducible invariant algebraic curves for a polynomial dynamical system in C2 is found. Necessary conditions for existence of exponential factors related to an invariant algebraic curve are derived. As a consequence, all the cases when the classical force-free Duffing and Duffing-van der Pol oscillators possess Liouvillian first integrals are obtained. New exact solutions for the force-free Duffing-van der Pol system are constructed.

Maximizing User Satisfaction With Office Practice Data Processing Systems

PubMed Central

O'Flaherty, Thomas; Jussim, Judith

1980-01-01

Significant numbers of physicians are using data processing services and a large number of firms are offering an increasing variety of services. This paper quantifies user dissatisfaction with office practice data processing systems and analyzes factors affecting dissatisfaction in large group practices. Based on this analysis, a proposal is made for a more structured approach to obtaining data processing services in order to lower the risks and increase satisfaction with data processing.

Application of fiber Bragg grating sensor for rebar corrosion

NASA Astrophysics Data System (ADS)

Geng, Jiang; Wu, Jin; Zhao, Xinming

2009-07-01

Corrosion of rebar is one of the most important factors which can affect the durability of concrete structure, so in the service of these structures, measuring the degree of corrosion, and then evaluating the reliability of these structures are very important. The most significant characteristic of the rebar corrosion is its volume expansion. By the principle and characteristics of fiber bragg grating (FBG), a sensor for rebar corrosion is designed. In this paper, based upon laboratory studies, the fiber bragg grating sensor is applied in No.58 Berth of Lianyungang Port. According to the filed condition, a proper embedding scheme is proposed. Considering the optimal sensor placement, the monitoring points are determined and five sensor groups were applied in the structure. Based on the results of the calibration experiment, the relationship between corrosion ratio and the change of wavelength is established. So the corrosion status of the structure can be obtained by measuring wavelength. The study shows that the FBG sensor was feasible to monitor the status of rebar in concrete structures.

Adaptive wing static aeroelastic roll control

NASA Astrophysics Data System (ADS)

Ehlers, Steven M.; Weisshaar, Terrence A.

1993-09-01

Control of the static aeroelastic characteristics of a swept uniform wing in roll using an adaptive structure is examined. The wing structure is modeled as a uniform beam with bending and torsional deformation freedom. Aerodynamic loads are obtained from strip theory. The structure model includes coefficients representing torsional and bending actuation provided by embedded piezoelectric material layers. The wing is made adaptive by requiring the electric field applied to the piezoelectric material layers to be proportional to the wing root loads. The proportionality factor, or feedback gain, is used to control static aeroelastic rolling properties. Example wing configurations are used to illustrate the capabilities of the adaptive structure. The results show that rolling power, damping-in-roll and aileron effectiveness can be controlled by adjusting the feedback gain. And that dynamic pressure affects the gain required. Gain scheduling can be used to set and maintain rolling properties over a range of dynamic pressures. An adaptive wing provides a method for active aeroelastic tailoring of structural response to meet changing structural performance requirements during a roll maneuver.

Anisotropic piezoresistivity characteristics of aligned carbon nanotube-polymer nanocomposites

NASA Astrophysics Data System (ADS)

Sengezer, Engin C.; Seidel, Gary D.; Bodnar, Robert J.

2017-09-01

Dielectrophoresis under the application of AC electric fields is one of the primary fabrication techniques for obtaining aligned carbon nanotube (CNT)-polymer nanocomposites, and is used here to generate long range alignment of CNTs at the structural level. The degree of alignment of CNTs within this long range architecture is observed via polarized Raman spectroscopy so that its influence on the electrical conductivity and piezoresistive response in both the alignment and transverse to alignment directions can be assessed. Nanocomposite samples consisting of randomly oriented, well dispersed single-wall carbon nanotubes (SWCNTs) and of long range electric field aligned SWCNTs in a photopolymerizable monomer blend (urethane dimethacrylate and 1,6-hexanediol dimethacrylate) are quantitatively and qualitatively evaluated. Piezoresistive sensitivities in form of gauge factors were measured for randomly oriented, well dispersed specimens with 0.03, 0.1 and 0.5 wt% SWCNTs and compared with gauge factors in both the axial and transverse to SWCNT alignment directions for electric field aligned 0.03 wt% specimens under both quasi-static monotonic and cyclic tensile loading. Gauge factors in the axial direction were observed to be on the order of 2, while gauge factors in the transverse direction demonstrated a 5 fold increase with values on the order of 10 for aligned specimens. Based on Raman analysis, it is believed the higher sensitivity of the transverse direction is related to architectural evolution of misaligned bridging structures which connect alignment structures under load due to Poisson’s contraction.

Urea-temperature phase diagrams capture the thermodynamics of denatured state expansion that accompany protein unfolding

PubMed Central

Tischer, Alexander; Auton, Matthew

2013-01-01

We have analyzed the thermodynamic properties of the von Willebrand factor (VWF) A3 domain using urea-induced unfolding at variable temperature and thermal unfolding at variable urea concentrations to generate a phase diagram that quantitatively describes the equilibrium between native and denatured states. From this analysis, we were able to determine consistent thermodynamic parameters with various spectroscopic and calorimetric methods that define the urea–temperature parameter plane from cold denaturation to heat denaturation. Urea and thermal denaturation are experimentally reversible and independent of the thermal scan rate indicating that all transitions are at equilibrium and the van't Hoff and calorimetric enthalpies obtained from analysis of individual thermal transitions are equivalent demonstrating two-state character. Global analysis of the urea–temperature phase diagram results in a significantly higher enthalpy of unfolding than obtained from analysis of individual thermal transitions and significant cross correlations describing the urea dependence of and that define a complex temperature dependence of the m-value. Circular dichroism (CD) spectroscopy illustrates a large increase in secondary structure content of the urea-denatured state as temperature increases and a loss of secondary structure in the thermally denatured state upon addition of urea. These structural changes in the denatured ensemble make up ∼40% of the total ellipticity change indicating a highly compact thermally denatured state. The difference between the thermodynamic parameters obtained from phase diagram analysis and those obtained from analysis of individual thermal transitions illustrates that phase diagrams capture both contributions to unfolding and denatured state expansion and by comparison are able to decipher these contributions. PMID:23813497

Modifying hydrogen-bonded structures by physical vapor deposition: 4-methyl-3-heptanol

NASA Astrophysics Data System (ADS)

Young-Gonzales, A. R.; Guiseppi-Elie, A.; Ediger, M. D.; Richert, R.

2017-11-01

We prepared films of 4-methyl-3-heptanol by vapor depositing onto substrates held at temperatures between Tdep = 0.6Tg and Tg, where Tg is the glass transition temperature. Using deposition rates between 0.9 and 6.0 nm/s, we prepared films about 5 μm thick and measured the dielectric properties via an interdigitated electrode cell onto which films were deposited. Samples prepared at Tdep = Tg display the dielectric behavior of the ordinary supercooled liquid. Films deposited at lower deposition temperatures show a high dielectric loss upon heating toward Tg, which decreases by a factor of about 12 by annealing at Tg = 162 K. This change is consistent with either a drop of the Kirkwood correlation factor, gk, by a factor of about 10, or an increase in the dielectric relaxation times, both being indicative of changes toward ring-like hydrogen-bonded structure characteristic of the ordinary liquid. We rationalize the high dielectric relaxation amplitude in the vapor deposited glass by suggesting that depositions at low temperature provide insufficient time for molecules to form ring-like supramolecular structures for which dipole moments cancel. Surprisingly, above Tg of the ordinary liquid, these vapor deposited films fail to completely recover the dielectric properties of the liquid obtained by supercooling. Instead, the dielectric relaxation remains slower and its amplitude much higher than that of the equilibrium liquid state, indicative of a structure that differs from the equilibrium liquid up to at least Tg + 40 K.

Finding Imaging Patterns of Structural Covariance via Non-Negative Matrix Factorization

PubMed Central

Sotiras, Aristeidis; Resnick, Susan M.; Davatzikos, Christos

2015-01-01

In this paper, we investigate the use of Non-Negative Matrix Factorization (NNMF) for the analysis of structural neuroimaging data. The goal is to identify the brain regions that co-vary across individuals in a consistent way, hence potentially being part of underlying brain networks or otherwise influenced by underlying common mechanisms such as genetics and pathologies. NNMF offers a directly data-driven way of extracting relatively localized co-varying structural regions, thereby transcending limitations of Principal Component Analysis (PCA), Independent Component Analysis (ICA) and other related methods that tend to produce dispersed components of positive and negative loadings. In particular, leveraging upon the well known ability of NNMF to produce parts-based representations of image data, we derive decompositions that partition the brain into regions that vary in consistent ways across individuals. Importantly, these decompositions achieve dimensionality reduction via highly interpretable ways and generalize well to new data as shown via split-sample experiments. We empirically validate NNMF in two data sets: i) a Diffusion Tensor (DT) mouse brain development study, and ii) a structural Magnetic Resonance (sMR) study of human brain aging. We demonstrate the ability of NNMF to produce sparse parts-based representations of the data at various resolutions. These representations seem to follow what we know about the underlying functional organization of the brain and also capture some pathological processes. Moreover, we show that these low dimensional representations favorably compare to descriptions obtained with more commonly used matrix factorization methods like PCA and ICA. PMID:25497684

Expression, purification, crystallization and structure determination of the N terminal domain of Fhb, a factor H binding protein from Streptococcus suis

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

Zhang, Chunmao; Yu, You; Yang, Maojun, E-mail: maojunyang@tsinghua.edu.cn

2015-10-23

Fhb is a surface virulence protein from Streptococcus suis, which could aid bacterial evasion of host innate immune defense by recruiting complement regulator factor H to inactivate C3b deposited on bacterial surface in blood. Here we successfully expressed and purified the N terminal domain of Fhb (N-Fhb) and obtained crystals of the N-Fhb by sitting-drop vapor diffusion method with a resolution of 1.50 Å. The crystals belong to space group C2 with unit cell parameters a = 127.1 Å, b = 77.3 Å, c = 131.6 Å, α = 90°, β = 115.9°, γ = 90°. The structure of N-Fhb was determined by SAD method and the core structure of N-Fhb is a β sandwich. Wemore » speculated that binding of Fhb to human factor H may be mainly mediated by surface amino acids with negative charges. - Highlights: • We expressed N-Fhb as the soluble protein in Escherichia coli. • Crystals of N-Fhb were grown by sitting drop vapor diffusion method. • Crystals of N-Fhb could diffracted to 1.5 Å. • The core structure of N-Fhb was a β sandwich. • A part of the surface of N-Fhb was rich with negative charges.« less

Molecular dynamics simulations on the local order of liquid and amorphous ZnTe

NASA Astrophysics Data System (ADS)

Rino, José Pedro; Borges, Denilson; Mota, Rita C.; Silva, Maurício A. P.

2008-05-01

Molecular dynamics studies of structural and dynamical correlations of molten and vitreous states under several conditions of density and temperature were performed. We use an effective recently proposed interatomic potential, consisting of two- and three-body covalent interactions which has successfully described the structural, dynamical, and structural phase transformation induced by pressure in ZnTe [D. S. Borges and J. P. Rino, Phys. Rev. B 72, 014107 (2005)]. The two-body term of the interaction potential consists of Coulomb interaction resulting from charge transfer, steric repulsion due to atomic sizes, charge-dipole interaction to include the effect of electronic polarizability of anions, and dipole-dipole (van der Waals) interactions. The three-body covalent term is a modification of the Stillinger-Weber potential. Molecular dynamics simulations in isobaric-isenthalpic ensemble have been performed for systems amounting to 4096 and 64 000 particles. Starting from a crystalline zinc-blende (ZB) structure, the system is initially heated until a very homogeneous liquid is obtained. The vitreous zinc telluride phase is attained by cooling the liquid at sufficiently fast cooling rates, while slower cooling rates lead to a disordered ZB crystalline structure. Two- and three-body correlations for the liquid and vitreous phases are analyzed through pair distribution functions, static structure factors, and bond angle distributions. In particular, the neutron static structure factor for the liquid phase is in very good agreement with both the reported experimental data and first-principles simulations.

Anomalous columnar order of charged colloidal platelets

NASA Astrophysics Data System (ADS)

Morales-Anda, L.; Wensink, H. H.; Galindo, A.; Gil-Villegas, A.

2012-01-01

Monte Carlo computer simulations are carried out for a model system of like-charged colloidal platelets in the isothermal-isobaric ensemble (NpT). The aim is to elucidate the role of electrostatic interactions on the structure of synthetic clay systems at high particle densities. Short-range repulsions between particles are described by a suitable hard-core model representing a discotic particle. This potential is supplemented with an electrostatic potential based on a Yukawa model for the screened Coulombic potential between infinitely thin disklike macro-ions. The particle aspect-ratio and electrostatic parameters were chosen to mimic an aqueous dispersion of thin, like-charged, rigid colloidal platelets at finite salt concentration. An examination of the fluid phase diagram reveals a marked shift in the isotropic-nematic transition compared to the hard cut-sphere reference system. Several statistical functions, such as the pair correlation function for the center-of-mass coordinates and structure factor, are obtained to characterize the structural organization of the platelets phases. At low salinity and high osmotic pressure we observe anomalous hexagonal columnar structures characterized by interpenetrating columns with a typical intercolumnar distance corresponding to about half of that of a regular columnar phase. Increasing the ionic strength leads to the formation of glassy, disordered structures consisting of compact clusters of platelets stacked into finite-sized columns. These so-called "nematic columnar" structures have been recently observed in systems of charge-stabilized gibbsite platelets. Our findings are corroborated by an analysis of the static structure factor from a simple density functional theory.