Variation in Student Skipping: A Study of Six High Schools. Final Report.

ERIC Educational Resources Information Center

Duckworth, Kenneth; deJung, John

Data were obtained from six high schools in the Northwest during 1984 and 1985 to determine the variation in students' reports of the frequency with which they skip school and cut classes. The study was guided by the advice of school administrators and a theoretical model of the influences or levels of participation in work organizations. Evidence…

High enthalpy hypersonic boundary layer flow

NASA Technical Reports Server (NTRS)

Yanow, G.

1972-01-01

A theoretical and experimental study of an ionizing laminar boundary layer formed by a very high enthalpy flow (in excess of 12 eV per atom or 7000 cal/gm) with allowance for the presence of helium driver gas is described. The theoretical investigation has shown that the use of variable transport properties and their respective derivatives is very important in the solution of equilibrium boundary layer equations of high enthalpy flow. The effect of low level helium contamination on the surface heat transfer rate is minimal. The variation of ionization is much smaller in a chemically frozen boundary layer solution than in an equilibrium boundary layer calculation and consequently, the variation of the transport properties in the case of the former was not essential in the integration. The experiments have been conducted in a free piston shock tunnel, and a detailed study of its nozzle operation, including the effects of low levels of helium driver gas contamination has been made. Neither the extreme solutions of an equilibrium nor of a frozen boundary layer will adequately predict surface heat transfer rate in very high enthalpy flows.

Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

NASA Astrophysics Data System (ADS)

Tian Yi, Zhang; Neng Wu, Zheng

2009-08-01

Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

GLOBALLY ADAPTIVE QUANTILE REGRESSION WITH ULTRA-HIGH DIMENSIONAL DATA

PubMed Central

Zheng, Qi; Peng, Limin; He, Xuming

2015-01-01

Quantile regression has become a valuable tool to analyze heterogeneous covaraite-response associations that are often encountered in practice. The development of quantile regression methodology for high dimensional covariates primarily focuses on examination of model sparsity at a single or multiple quantile levels, which are typically prespecified ad hoc by the users. The resulting models may be sensitive to the specific choices of the quantile levels, leading to difficulties in interpretation and erosion of confidence in the results. In this article, we propose a new penalization framework for quantile regression in the high dimensional setting. We employ adaptive L1 penalties, and more importantly, propose a uniform selector of the tuning parameter for a set of quantile levels to avoid some of the potential problems with model selection at individual quantile levels. Our proposed approach achieves consistent shrinkage of regression quantile estimates across a continuous range of quantiles levels, enhancing the flexibility and robustness of the existing penalized quantile regression methods. Our theoretical results include the oracle rate of uniform convergence and weak convergence of the parameter estimators. We also use numerical studies to confirm our theoretical findings and illustrate the practical utility of our proposal. PMID:26604424

An experimental and theoretical core-level study of tautomerism in guanine.

PubMed

Plekan, Oksana; Feyer, Vitaliy; Richter, Robert; Coreno, Marcello; Vall-Llosera, Gemma; Prince, Kevin C; Trofimov, Alexander B; Zaytseva, Irina L; Moskovskaya, Tatyana E; Gromov, Evgeniy V; Schirmer, Jochen

2009-08-20

The core level photoemission and near edge X-ray photoabsorption spectra of guanine in the gas phase have been measured and the results interpreted with the aid of high level ab initio calculations. Tautomers are clearly identified spectroscopically, and their relative free energies and Boltzmann populations at the temperature of the experiment (600 K) have been calculated and compared with the experimental results and with previous calculations. We obtain good agreement between experiment and the Boltzmann weighted theoretical photoemission spectra, which allows a quantitative determination of the ratio of oxo to hydroxy tautomer populations. For the photoabsorption spectra, good agreement is found for the C 1s and O 1s spectra but only fair agreement for the N 1s edge.

Toward High-Level Theoretical Studies of Large Biodiesel Molecules: An ONIOM [QCISD(T)/CBS:DFT] Study of the Reactions between Unsaturated Methyl Esters (C nH2 n-1COOCH3) and Hydrogen Radical.

PubMed

Zhang, Lidong; Meng, Qinghui; Chi, Yicheng; Zhang, Peng

2018-05-31

A two-layer ONIOM[QCISD(T)/CBS:DFT] method was proposed for the high-level single-point energy calculations of large biodiesel molecules and was validated for the hydrogen abstraction reactions of unsaturated methyl esters that are important components of real biodiesel. The reactions under investigation include all the reactions on the potential energy surface of C n H 2 n-1 COOCH 3 ( n = 2-5, 17) + H, including the hydrogen abstraction, the hydrogen addition, the isomerization (intramolecular hydrogen shift), and the β-scission reactions. By virtue of the introduced concept of chemically active center, a unified specification of chemically active portion for the ONIOM (ONIOM = our own n-layered integrated molecular orbital and molecular mechanics) method was proposed to account for the additional influence of C═C double bond. The predicted energy barriers and heats of reaction by using the ONIOM method are in very good agreement with those obtained by using the widely accepted high-level QCISD(T)/CBS theory, as verified by the computational deviations being less than 0.15 kcal/mol, for almost all the reaction pathways under investigation. The method provides a computationally accurate and affordable approach to combustion chemists for high-level theoretical chemical kinetics of large biodiesel molecules.

Crystal Engineering for Low Defect Density and High Efficiency Hybrid Chemical Vapor Deposition Grown Perovskite Solar Cells.

PubMed

Ng, Annie; Ren, Zhiwei; Shen, Qian; Cheung, Sin Hang; Gokkaya, Huseyin Cem; So, Shu Kong; Djurišić, Aleksandra B; Wan, Yangyang; Wu, Xiaojun; Surya, Charles

2016-12-07

Synthesis of high quality perovskite absorber is a key factor in determining the performance of the solar cells. We demonstrate that hybrid chemical vapor deposition (HCVD) growth technique can provide high level of versatility and repeatability to ensure the optimal conditions for the growth of the perovskite films as well as potential for batch processing. It is found that the growth ambient and degree of crystallization of CH 3 NH 3 PbI 3 (MAPI) have strong impact on the defect density of MAPI. We demonstrate that HCVD process with slow postdeposition cooling rate can significantly reduce the density of shallow and deep traps in the MAPI due to enhanced material crystallization, while a mixed O 2 /N 2 carrier gas is effective in passivating both shallow and deep traps. By careful control of the perovskite growth process, a champion device with power conversion efficiency of 17.6% is achieved. Our work complements the existing theoretical studies on different types of trap states in MAPI and fills the gap on the theoretical analysis of the interaction between deep levels and oxygen. The experimental results are consistent with the theoretical predictions.

[Cost of functioning of a centralised pharmaceutical unit: evaluation of mean costs of chemotherapy preparations according to the level of production of the unit].

PubMed

Galy, Guillaume; Bauler, Stéphanie; Buchi, Marjolaine; Pirot, Fabrice; Pivot, Christine

2011-10-01

The interest of centralization of preparations of chemotherapy drugs is in addition to its economic aspect, to secure drugs circuit. The aims of this study are to determine needs in employees and equipments of 11 theoretical levels of production from 1,000 to 50,000 preparations per year and to determine the cost of chemotherapy's preparation for each theoretical unit. The operating cost was divided in four areas of expenditure: employees (66-78%), investment (5-15%), maintenance (3-15%) and consumables (4-16%). If we consider the 11 units, the theoretical cost varies between 27.4 € for a unit with 50,000 preparations per year and 114.1 € for a unit with 1,000 preparations per year. This study shows the importance of setting up an optimal unit of preparations according to its activity and highlights the high cost's variation in relation to the activity of the unit.

Testing the continuum of delusional beliefs: an experimental study using virtual reality.

PubMed

Freeman, Daniel; Pugh, Katherine; Vorontsova, Natasha; Antley, Angus; Slater, Mel

2010-02-01

A key problem in studying a hypothesized spectrum of severity of delusional ideation is determining that ideas are unfounded. The first objective was to use virtual reality to validate groups of individuals with low, moderate, and high levels of unfounded persecutory ideation. The second objective was to investigate, drawing upon a cognitive model of persecutory delusions, whether clinical and nonclinical paranoia are associated with similar causal factors. Three groups (low paranoia, high nonclinical paranoia, persecutory delusions) of 30 participants were recruited. Levels of paranoia were tested using virtual reality. The groups were compared on assessments of anxiety, worry, interpersonal sensitivity, depression, anomalous perceptual experiences, reasoning, and history of traumatic events. Virtual reality was found to cause no side effects. Persecutory ideation in virtual reality significantly differed across the groups. For the clear majority of the theoretical factors there were dose-response relationships with levels of paranoia. This is consistent with the idea of a spectrum of paranoia in the general population. Persecutory ideation is clearly present outside of clinical groups and there is consistency across the paranoia spectrum in associations with important theoretical variables.

A Study of Factors Influencing Environmental Values in Junior and Senior High School Students.

ERIC Educational Resources Information Center

Alaimo, Samuel J.; Doran, Rodney L.

1978-01-01

The Environmental Inventory was used to measure environmental values classified as follows: aesthetic, economic, political, social, theoretical, and religious. Findings indicate that these values can be validly measured in junior and senior high school and are affected by grade level (age) and amount of science instruction experienced, but not by…

The Relationship between Intelligence and Multiple Domains of Religious Belief: Evidence from a Large Adult US Sample

ERIC Educational Resources Information Center

Lewis, Gary J.; Ritchie, Stuart J.; Bates, Timothy C.

2011-01-01

High levels of religiosity have been linked to lower levels of intelligence in a number of recent studies. These results have generated both controversy and theoretical interest. Here in a large sample of US adults we address several issues that restricted the generalizability of these previous results. We measured six dimensions of religiosity…

Are we ready to accept the challenge? Addressing the shortcomings of contemporary qualitative health research.

PubMed

Lau, Sofie Rosenlund; Traulsen, Janine M

Qualitative approaches represent an important contributor to health care research. However, several researchers argue that contemporary qualitative research does not live up to its full potential. By presenting a snapshot of contemporary qualitative research in the field of social and administrative pharmacy, this study challenges contributors to the field by asking: Are we ready to accept the challenge and take qualitative research one step further? The purpose of this study was to initiate a constructive dialogue on the need for increased transparency in qualitative data analysis, including explicitly reflecting upon theoretical perspectives affecting the research process. Content analysis was used to evaluate levels of theoretical visibility and analysis transparency in selected qualitative research articles published in Research in Social and Administrative Pharmacy between January 2014 and January 2015. In 14 out of 21 assessed papers, the use of theory was found to be Seemingly Absent (lowest level of theory use), and the data analyses did not include any interpretive endeavors. Only two papers consistently applied theory throughout the entire study and clearly took the data analyses from a descriptive to an interpretive level. It was found that the aim of the majority of assessed papers was to change or modify a given practice, which however, resulted in a lack of both theoretical underpinnings and analysis transparency. This study takes the standpoint that theory and high-quality analysis go hand-in-hand. Based on the content analysis, articles that were deemed to be high in quality were explicit about the theoretical framework of their study and transparent in how they analyzed their data. It was found that theory contributed to the transparency of how the data were analyzed and interpreted. Two ways of improving contemporary qualitative research in the field of social and administrative pharmacy are discussed: engaging with social theory and establishing close collaboration with social scientists. Copyright © 2016 Elsevier Inc. All rights reserved.

Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study.

PubMed

Fabritius, Helge-Otto; Ziegler, Andreas; Friák, Martin; Nikolov, Svetoslav; Huber, Julia; Seidl, Bastian H M; Ruangchai, Sukhum; Alagboso, Francisca I; Karsten, Simone; Lu, Jin; Janus, Anna M; Petrov, Michal; Zhu, Li-Fang; Hemzalová, Pavlína; Hild, Sabine; Raabe, Dierk; Neugebauer, Jörg

2016-09-09

The crustacean cuticle is a composite material that covers the whole animal and forms the continuous exoskeleton. Nano-fibers composed of chitin and protein molecules form most of the organic matrix of the cuticle that, at the macroscale, is organized in up to eight hierarchical levels. At least two of them, the exo- and endocuticle, contain a mineral phase of mainly Mg-calcite, amorphous calcium carbonate and phosphate. The high number of hierarchical levels and the compositional diversity provide a high degree of freedom for varying the physical, in particular mechanical, properties of the material. This makes the cuticle a versatile material ideally suited to form a variety of skeletal elements that are adapted to different functions and the eco-physiological strains of individual species. This review presents our recent analytical, experimental and theoretical studies on the cuticle, summarising at which hierarchical levels structure and composition are modified to achieve the required physical properties. We describe our multi-scale hierarchical modeling approach based on the results from these studies, aiming at systematically predicting the structure-composition-property relations of cuticle composites from the molecular level to the macro-scale. This modeling approach provides a tool to facilitate the development of optimized biomimetic materials within a knowledge-based design approach.

1:1 Computing Programs: An Analysis of the Stages of Concerns of 1:1 Integration, Professional Development Training and Level of Classroom Use by Illinois High School Teachers

ERIC Educational Resources Information Center

Detering, Brad

2017-01-01

This research study, grounded in the theoretical framework of education change, used the Concerns-Based Adoption Model of change to examine the concerns of Illinois high school teachers and administrators regarding the implementation of 1:1 computing programs. A quantitative study of educators investigated the stages of concern and the mathematics…

Theoretical model predictions and experimental results for a wavelength switchable Tm:YAG laser.

PubMed

Niu, Yanxiong; Wang, Caili; Liu, Wenwen; Niu, Haisha; Xu, Bing; Man, Da

2014-07-01

We present a theoretical model study of a quasi-three-level laser with particular attention given to the Tm:YAG laser. The oscillating conditions of this laser were theoretically analyzed from the point of the pump threshold while taking into account reabsorption loss. The laser oscillation at 2.02 μm with large stimulated emission sections was suppressed by selecting the appropriate coating for the cavity mirrors, then an efficient laser-diode side-pumped continuous-wave Tm:YAG crystal laser operating at 2.07 μm was realized. Experiments with the Tm:YAG laser confirmed the accuracy of the model, and the model was able to accurately predict that the high Stark sub-level within the H3₆ ground state manifold has a low laser threshold and long laser wavelength, which was achieved by decreasing the transmission of the output coupler.

Student Use of Scaffolding Software: Relationships with Motivation and Conceptual Understanding

ERIC Educational Resources Information Center

Butler, Kyle A.; Lumpe, Andrew

2008-01-01

This study was designed to theoretically articulate and empirically assess the role of computer scaffolds. In this project, several examples of educational software were developed to scaffold the learning of students performing high level cognitive activities. The software used in this study, Artemis, focused on scaffolding the learning of…

Shadows of Transformation: Inclusion and Exclusion of Academic Staff at a University of Technology

ERIC Educational Resources Information Center

Hemson, C.; Singh, P.

2010-01-01

A study of academic staff at a South African university of technology used questionnaires and interviews to understand perceptions and experiences related to inclusion and exclusion. Taking critical race theory as the theoretical framework, the study revealed high levels of anger amongst staff of different racial identities. Expressions of…

Lived Experiences and Perceptions on Mentoring among Latina Scientists and Engineers

ERIC Educational Resources Information Center

San Miguel, Anitza M.

2010-01-01

The purpose of this qualitative study was to reveal the lived mentoring experiences of Latinas in science and engineering. The study also sought to understand how Latina scientists and engineers achieved high-level positions within their organizations and the impediments they encountered along their professional journey. The theoretical framework…

Network problem threshold

NASA Technical Reports Server (NTRS)

Gejji, Raghvendra, R.

1992-01-01

Network transmission errors such as collisions, CRC errors, misalignment, etc. are statistical in nature. Although errors can vary randomly, a high level of errors does indicate specific network problems, e.g. equipment failure. In this project, we have studied the random nature of collisions theoretically as well as by gathering statistics, and established a numerical threshold above which a network problem is indicated with high probability.

Theoretical Studies of Group IVA and Group IVB Chemistry

DTIC Science & Technology

2012-01-13

novel ionic liquids . We have performed very high level CCSD(T) calculations on one such species, Al13- to predict its ionization potential in nearly...Precursors. Polyhedral oligomeric silsesquioxanes (POSS) are three- dimensional Si-O cage compounds that have many uses, because of their resistance

Predicting and Explaining Students' Stress with the Demand-Control Model: Does Neuroticism Also Matter?

ERIC Educational Resources Information Center

Schmidt, Laura I.; Sieverding, Monika; Scheiter, Fabian; Obergfell, Julia

2015-01-01

University students often report high stress levels, and studies even suggest a recent increase. However, there is a lack of theoretically based research on the structural conditions that influence students' perceived stress. The current study compared the effects of Karasek's demand-control dimensions with the influence of neuroticism to address…

Aspects of Communication Apprehension: A Symposium.

ERIC Educational Resources Information Center

McCroskey, James C.; And Others

The three papers in this symposium explore various aspects of communication apprehension. The first paper develops a theoretical model which attempts to explain the causes of oral communication apprehension, in terms of family structure and levels of communication skill development. A study of high school students indicates that children from…

A review of recent theoretical and computational studies on pinned surface nanobubbles

NASA Astrophysics Data System (ADS)

Liu, Yawei; Zhang, Xianren

2018-01-01

The findings of long-lived surface nanobubbles in various experiments brought a puzzle in theory, as they were supposed to be dissolved in microseconds due to the high Laplace pressure. However, an increasing number of studies suggest that the pinning of contact line, together with certain levels of oversaturation, is responsible for the anomalous stability of surface nanobubble. This mechanism can interpret most characteristics of surface nanobubbles. Here we summarize recent theoretical and computational work to explain how the surface nanobubbles become stable with the pinning of contact line. Other related work devoted to understand the unusual behaviors of pinned surface nanobubbles are also reviewed here.

On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments

NASA Astrophysics Data System (ADS)

Prasai, Binay; Wilson, A. R.; Wiley, B. J.; Ren, Y.; Petkov, Valeri

2015-10-01

The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design. Electronic supplementary information (ESI) available: XRD patterns, TEM and 3D structure modelling methodology. See DOI: 10.1039/c5nr04678e

Theoretical Explanation for Success of Deep-Level-Learning Study Tours

ERIC Educational Resources Information Center

Bergsteiner, Harald; Avery, Gayle C.

2008-01-01

Study tours can help internationalize curricula and prepare students for global workplaces. We examine benefits of tours providing deep-level learning experiences rather than industrial tourism using five main theoretical frameworks to highlight the diverse learning benefits associated with intensive study tours in particular. Relevant theoretical…

Intentional and automatic processing of numerical information in mathematical anxiety: testing the influence of emotional priming.

PubMed

Ashkenazi, Sarit

2018-02-05

Current theoretical approaches suggest that mathematical anxiety (MA) manifests itself as a weakness in quantity manipulations. This study is the first to examine automatic versus intentional processing of numerical information using the numerical Stroop paradigm in participants with high MA. To manipulate anxiety levels, we combined the numerical Stroop task with an affective priming paradigm. We took a group of college students with high MA and compared their performance to a group of participants with low MA. Under low anxiety conditions (neutral priming), participants with high MA showed relatively intact number processing abilities. However, under high anxiety conditions (mathematical priming), participants with high MA showed (1) higher processing of the non-numerical irrelevant information, which aligns with the theoretical view regarding deficits in selective attention in anxiety and (2) an abnormal numerical distance effect. These results demonstrate that abnormal, basic numerical processing in MA is context related.

Analytical study of nozzle performance for nuclear thermal rockets

NASA Technical Reports Server (NTRS)

Davidian, Kenneth O.; Kacynski, Kenneth J.

1991-01-01

A parametric study has been conducted by the NASA-Lewis Rocket Engine Design Expert System for the convergent-divergent nozzle of the Nuclear Thermal Rocket system, which uses a nuclear reactor to heat hydrogen to high temperature and then expands it through the nozzle. It is established by the study that finite-rate chemical reactions lower performance levels from theoretical levels. Major parametric roles are played by chamber temperature and chamber pressure. A maximum performance of 930 sec is projected at 2700 K, and of 1030 at 3100 K.

Structural investigation, spectroscopic and energy level studies of Schiff base: 2-[(3‧-N-salicylidenephenyl)benzimidazole] using experimental and DFT methods

NASA Astrophysics Data System (ADS)

Suman, G. R.; Bubbly, S. G.; Gudennavar, S. B.; Muthu, S.; Roopashree, B.; Gayatri, V.; Nanje Gowda, N. M.

2017-07-01

The Schiff base 2-[(3‧-N-salicylidenephenyl)benzimidazole] (Spbzl) was characterized by FT-Raman, 1H NMR, 13C NMR and single crystal X-ray diffraction technique. Crystallographic studies reveal the presence of two water molecules in the asymmetry unit which aid the intermolecular hydrogen bonding with imidazole ring, and the trans-conformation of the azomethine bond. Theoretical computations conducted using density functional theory (DFT) analysis support the experimental facts. Energy levels estimated by DFT studies are in good agreement with the values obtained from cyclic voltammetry technique. Frontier molecular orbital analysis shows that charge transfer has taken place from donor to acceptor moiety, which is also supported by the high hyperpolarizability values in both gaseous and solution phases, indicating high charge transfer capability of the molecule. A comparative theoretical study of Spbzl with derivative 4-((3-(1H-benzimidazol-2-yl)phenylimino)methyl)-3-hydroxybenzoic acid (Pbzlb) having an added anchor group COOH substituted at para position in the acceptor ring has been made. The result shows the feasibility of charge transfer to the semiconductor surface in dye sensitized solar cell (DSSC) applications for Pbzlb.

Proceedings, phenomenology and applications of high temperature superconductors

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

Bedell, K.S.

1991-01-01

Phenomenology and Applications of High Temperature Superconductors, The Los Alamos Symposium: 1991, was sponsored by the Los Alamos National Laboratory, Center for Materials Science, the Advanced Studies Program on High Temperature Superconductivity Theory (ASP) and the Exploratory Research and Development Center. This is the second symposium in the series. High Temperature Superconductivity, The Los Alamos Symposium: 1989, also published by Addison Wesley, focused on the cutting-edge theoretical and experimental issues in high temperature superconductors. This symposium, with its focus on the phenomenology and applications of high temperature superconductors, gives a complementary review of the aspects of the field closely relatedmore » to the impact of high temperature superconductors on technology. The objective of ASP is to advance the field on a broad front with no specific point of view by bringing a team of leading academic theorists into a joint effort with the theoretical and experimental scientists of a major DOE national laboratory. The ASP consisted of fellows led by Robert Schrieffer (UCSB and now FSU) joined by David Pines (University of illinois), Elihu Abrahams (Rutgers), Sebastian Doniach (Stanford), and Maurice Rice (ETH, Zurich) and theoretical and experimental staff of Los Alamos National Laboratory. This synergism of academic, laboratory, theoretical and experimental research produced a level of interaction and excitement that would not be possible otherwise. This publication and the previous one in the series are just examples of how this approach to advancing science can achieve significant contributions.« less

Proceedings, phenomenology and applications of high temperature superconductors

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

Bedell, K.S.

1991-12-31

Phenomenology and Applications of High Temperature Superconductors, The Los Alamos Symposium: 1991, was sponsored by the Los Alamos National Laboratory, Center for Materials Science, the Advanced Studies Program on High Temperature Superconductivity Theory (ASP) and the Exploratory Research and Development Center. This is the second symposium in the series. High Temperature Superconductivity, The Los Alamos Symposium: 1989, also published by Addison Wesley, focused on the cutting-edge theoretical and experimental issues in high temperature superconductors. This symposium, with its focus on the phenomenology and applications of high temperature superconductors, gives a complementary review of the aspects of the field closely relatedmore » to the impact of high temperature superconductors on technology. The objective of ASP is to advance the field on a broad front with no specific point of view by bringing a team of leading academic theorists into a joint effort with the theoretical and experimental scientists of a major DOE national laboratory. The ASP consisted of fellows led by Robert Schrieffer (UCSB and now FSU) joined by David Pines (University of illinois), Elihu Abrahams (Rutgers), Sebastian Doniach (Stanford), and Maurice Rice (ETH, Zurich) and theoretical and experimental staff of Los Alamos National Laboratory. This synergism of academic, laboratory, theoretical and experimental research produced a level of interaction and excitement that would not be possible otherwise. This publication and the previous one in the series are just examples of how this approach to advancing science can achieve significant contributions.« less

High Performance Computer Cluster for Theoretical Studies of Roaming in Chemical Reactions

DTIC Science & Technology

2016-08-30

High-performance Computer Cluster for Theoretical Studies of Roaming in Chemical Reactions A dedicated high-performance computer cluster was...SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS (ES) U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 Computer cluster ...peer-reviewed journals: Final Report: High-performance Computer Cluster for Theoretical Studies of Roaming in Chemical Reactions Report Title A dedicated

High construal level can help negotiators to reach integrative agreements: The role of information exchange and judgement accuracy.

PubMed

Wening, Stefanie; Keith, Nina; Abele, Andrea E

2016-06-01

In negotiations, a focus on interests (why negotiators want something) is key to integrative agreements. Yet, many negotiators spontaneously focus on positions (what they want), with suboptimal outcomes. Our research applies construal-level theory to negotiations and proposes that a high construal level instigates a focus on interests during negotiations which, in turn, positively affects outcomes. In particular, we tested the notion that the effect of construal level on outcomes was mediated by information exchange and judgement accuracy. Finally, we expected the mere mode of presentation of task material to affect construal levels and manipulated construal levels using concrete versus abstract negotiation tasks. In two experiments, participants negotiated in dyads in either a high- or low-construal-level condition. In Study 1, high-construal-level dyads outperformed dyads in the low-construal-level condition; this main effect was mediated by information exchange. Study 2 replicated both the main and mediation effects using judgement accuracy as mediator and additionally yielded a positive effect of a high construal level on a second, more complex negotiation task. These results not only provide empirical evidence for the theoretically proposed link between construal levels and negotiation outcomes but also shed light on the processes underlying this effect. © 2015 The British Psychological Society.

Near-degeneracy in Excited Vibrational States of 207PbF

NASA Astrophysics Data System (ADS)

Mawhorter, Richard; Nguyen, Alexander; Kim, Yongrak; Biekert, Andreas; Sears, Trevor; Grabow, Jens-Uwe; Kudashov, A. D.; Skripnikov, L. V.; Titov, A. V.; Petrov, A. N.

2017-04-01

High-resolution Fourier transform microwave (FTMW) spectroscopy studies of 207PbF have demonstrated the near-degeneracy of two levels of opposite parity. These have attracted attention for the study of parity violation effects and the variation of fundamental constants using 207PbF. Further theoretical work has improved our detailed understanding of both 207PbF and 208PbF, and furthermore recently indicated that the finely split +/- parity levels grow monotonically closer for higher vibrational states. Our experimental results for v = 0-3 confirm this, and are in excellent agreement with our extended theoretical calculations up to v = 4; both will be presented. TJS acknowledges support from Contract No. DE-SC0012704 with the U.S. Department of Energy, Office of Science, supported by its Division of Chemical Sciences, Geosciences and Biosciences within the Office of Basic Energy Sciences., as do RM, AB, YK, & AN from Pomona College & J-UG from the Deutsche Forschungsgemeinschaft (DFG).

Underwater photogrammetric theoretical equations and technique

NASA Astrophysics Data System (ADS)

Fan, Ya-bing; Huang, Guiping; Qin, Gui-qin; Chen, Zheng

2011-12-01

In order to have a high level of accuracy of measurement in underwater close-range photogrammetry, this article deals with a study of three varieties of model equations according to the way of imaging upon the water. First, the paper makes a careful analysis for the two varieties of theoretical equations and finds out that there are some serious limitations in practical application and has an in-depth study for the third model equation. Second, one special project for this measurement has designed correspondingly. Finally, one rigid antenna has been tested by underwater photogrammetry. The experimental results show that the precision of 3D coordinates measurement is 0.94mm, which validates the availability and operability in practical application with this third equation. It can satisfy the measurement requirements of refraction correction, improving levels of accuracy of underwater close-range photogrammetry, as well as strong antijamming and stabilization.

Measuring metacognitive ability based on science literacy in dynamic electricity topic

NASA Astrophysics Data System (ADS)

Warni; Sunyono; Rosidin

2018-01-01

This study aims to produce an instrument of metacognition ability assessment based on science literacy on theoretically and empirically feasible dynamic electrical material. The feasibility of the assessment instrument includes theoretical validity on material, construction, and language aspects, as well as empirical validity, reliability, difficulty, distinguishing, and distractor indices. The development of assessment instruments refers to the Dick and Carey development model which includes the preliminary study stage, initial product development, validation and revision, and piloting. The instrument was tested to 32 students of class IX in SMP Negeri 20 Bandar Lampung, using the design of One Group Pretest-Postest Design. The result shows that the metacognition ability assessment instrument based on science literacy is feasible theoretically with theoretical validity percentage of 95.44% and empirical validity of 43.75% for the high category, 43.75% for the medium category, and 12.50 % for low category questions; Reliability of assessment instruments of 0.83 high categories; Difficulty level of difficult item is about 31.25% and medium category is equal to 68.75%. Item that has very good distinguishing power is 12.50%, 62.50% for good stage, and medium category is 25.00%; As well as the duplexing function on a matter of multiple choice is 80.00% including good category and 20.00% for medium category.

Superfocusing of mutimode semiconductor lasers and light-emitting diodes

NASA Astrophysics Data System (ADS)

Sokolovskii, G. S.; Dudelev, V. V.; Losev, S. N.; Deryagin, A. G.; Kuchinskii, V. I.; Sibbett, W.; Rafailov, E. U.

2012-05-01

The problem of focusing multimode radiation of high-power semiconductor lasers and light-emitting diodes (LEDs) has been studied. In these sources, low spatial quality of the output beam determines theoretical limit of the focal spot size (one to two orders of magnitude exceeding the diffraction limit), thus restricting the possibility of increasing power density and creating optical field gradients that are necessary in many practical applications. In order to overcome this limitation, we have developed a method of superfocusing of multimode radiation with the aid of interference. It is shown that, using this method, the focal spot size of high-power semiconductor lasers and LEDs can be reduced to a level unachievable by means of traditional focusing. An approach to exceed the theoretical limit of power density for focusing of radiation with high propagation parameter M 2 is proposed.

Theoretical research program to study transition metal trimers and embedded clusters

NASA Technical Reports Server (NTRS)

Walch, S. P.

1984-01-01

Small transition metal clusters were studied at a high level of approximation, including all the valence electrons in the calculation and extensive electron correlation, in order to understand the electronic structure of these small metal clusters. By comparison of dimers, trimers, and possibly higher clusters, the information obtained was used to provide insights into the electronic structure of bulk transition metals. Small metal clusters are currently of considerable experimental interest and some information is becomming available both from matrix electron spin resonance studies and from gas phase spectroscopy. Collaboration between theorists and experimentalists is thus expected to be especially profitable at this time since there is some experimental information which can serve to guide the theoretical work.

Ultracold Anions for High-Precision Antihydrogen Experiments

NASA Astrophysics Data System (ADS)

Cerchiari, G.; Kellerbauer, A.; Safronova, M. S.; Safronova, U. I.; Yzombard, P.

2018-03-01

Experiments with antihydrogen (H ¯) for a study of matter-antimatter symmetry and antimatter gravity require ultracold H ¯ to reach ultimate precision. A promising path towards antiatoms much colder than a few kelvin involves the precooling of antiprotons by laser-cooled anions. Because of the weak binding of the valence electron in anions—dominated by polarization and correlation effects—only few candidate systems with suitable transitions exist. We report on a combination of experimental and theoretical studies to fully determine the relevant binding energies, transition rates, and branching ratios of the most promising candidate La- . Using combined transverse and collinear laser spectroscopy, we determined the resonant frequency of the laser cooling transition to be ν =96.592 713 (91 ) THz and its transition rate to be A =4.90 (50 )×104 s-1 . Using a novel high-precision theoretical treatment of La- we calculated yet unmeasured energy levels, transition rates, branching ratios, and lifetimes to complement experimental information on the laser cooling cycle of La- . The new data establish the suitability of La- for laser cooling and show that the cooling transition is significantly stronger than suggested by a previous theoretical study.

Ultracold Anions for High-Precision Antihydrogen Experiments.

PubMed

Cerchiari, G; Kellerbauer, A; Safronova, M S; Safronova, U I; Yzombard, P

2018-03-30

Experiments with antihydrogen (H[over ¯]) for a study of matter-antimatter symmetry and antimatter gravity require ultracold H[over ¯] to reach ultimate precision. A promising path towards antiatoms much colder than a few kelvin involves the precooling of antiprotons by laser-cooled anions. Because of the weak binding of the valence electron in anions-dominated by polarization and correlation effects-only few candidate systems with suitable transitions exist. We report on a combination of experimental and theoretical studies to fully determine the relevant binding energies, transition rates, and branching ratios of the most promising candidate La^{-}. Using combined transverse and collinear laser spectroscopy, we determined the resonant frequency of the laser cooling transition to be ν=96.592 713(91)  THz and its transition rate to be A=4.90(50)×10^{4}  s^{-1}. Using a novel high-precision theoretical treatment of La^{-} we calculated yet unmeasured energy levels, transition rates, branching ratios, and lifetimes to complement experimental information on the laser cooling cycle of La^{-}. The new data establish the suitability of La^{-} for laser cooling and show that the cooling transition is significantly stronger than suggested by a previous theoretical study.

A Study on the Security Levels of Spread-Spectrum Embedding Schemes in the WOA Framework.

PubMed

Wang, Yuan-Gen; Zhu, Guopu; Kwong, Sam; Shi, Yun-Qing

2017-08-23

Security analysis is a very important issue for digital watermarking. Several years ago, according to Kerckhoffs' principle, the famous four security levels, namely insecurity, key security, subspace security, and stego-security, were defined for spread-spectrum (SS) embedding schemes in the framework of watermarked-only attack. However, up to now there has been little application of the definition of these security levels to the theoretical analysis of the security of SS embedding schemes, due to the difficulty of the theoretical analysis. In this paper, based on the security definition, we present a theoretical analysis to evaluate the security levels of five typical SS embedding schemes, which are the classical SS, the improved SS (ISS), the circular extension of ISS, the nonrobust and robust natural watermarking, respectively. The theoretical analysis of these typical SS schemes are successfully performed by taking advantage of the convolution of probability distributions to derive the probabilistic models of watermarked signals. Moreover, simulations are conducted to illustrate and validate our theoretical analysis. We believe that the theoretical and practical analysis presented in this paper can bridge the gap between the definition of the four security levels and its application to the theoretical analysis of SS embedding schemes.

On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments.

PubMed

Prasai, Binay; Wilson, A R; Wiley, B J; Ren, Y; Petkov, Valeri

2015-11-14

The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au(100-x)Pd(x) (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when "tuned up" against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.

Relationships between individualism-collectivism, gender, and direct or indirect aggression: a study in China, Poland, and the US.

PubMed

Forbes, Gordon; Zhang, Xiaoying; Doroszewicz, Krystyna; Haas, Kelly

2009-01-01

Direct and indirect aggression were studied in college students from China (women n=122; men n=97), a highly collectivistic culture; the US (women n=137; men n=136), a highly individualistic culture; and Poland (women n=105; men n=119), a culture with intermediate levels of collectivism and individualism. Consistent with a hypothesis derived from national differences in relative levels of collectivism and individualism, both direct and indirect aggression were higher in the US than in Poland and higher in Poland than in China. The theoretical implication of these results and directions for future research were discussed. Copyright 2008 Wiley-Liss, Inc.

Walking towards Instrumental Appropriation of Mobile Devices. A Comparison of Studies

ERIC Educational Resources Information Center

Hernandez Serrano, Maria José; Yang, Lingling

2013-01-01

The study of instrumental appropriation is considered a relevant outstanding and productive perspective in the arena of Mobile ICT and learning. This paper seeks for the consolidation of this perspective at a theoretical and analytical level. Regarding the theoretical level, two characteristics of mobile devices--flexibility and mobility--are…

Web 2.0 and Self-Reported Student Performance among High School Students in Rural Schools

ERIC Educational Resources Information Center

Cash, Joseph Carl

2010-01-01

This research intends to contribute to the current literature available on the appropriate levels of utilizing Web 2.0 resources in the classroom, therefore, amicably submitting the study's results collaboration of a dynamic theoretical construct for pedagogy in the digital age. Educators must contend with and adapt to cognitive changes within…

Recent Excitation, Charge Exchange, and Lifetime Results in Highly Charged Ions Relevant to Stellar, Interstellar, Solar and Comet Phenomena

NASA Technical Reports Server (NTRS)

Chutjian, A.; Hossain, S.; Mawhorter, R. J.; Smith, S. J.

2006-01-01

Recent JPL absolute excitation and charge exchange cross sections, and measurements of lifetimes of metastable levels in highly-charged ions (HCIs) are reported. These data provide benchmark comparisons to results of theoretical calculations. Theoretical approaches can then be used to calculate the vast array of data which cannot be measured due to experimental constraints. Applications to the X-ray emission from comets are given.

The highs and lows of theoretical interpretation in animal-metacognition research

PubMed Central

Smith, J. David; Couchman, Justin J.; Beran, Michael J.

2012-01-01

Humans feel uncertain. They know when they do not know. These feelings and the responses to them ground the research literature on metacognition. It is a natural question whether animals share this cognitive capacity, and thus animal metacognition has become an influential research area within comparative psychology. Researchers have explored this question by testing many species using perception and memory paradigms. There is an emerging consensus that animals share functional parallels with humans’ conscious metacognition. Of course, this research area poses difficult issues of scientific inference. How firmly should we hold the line in insisting that animals’ performances are low-level and associative? How high should we set the bar for concluding that animals share metacognitive capacities with humans? This area offers a constructive case study for considering theoretical problems that often confront comparative psychologists. The authors present this case study and address diverse issues of scientific judgement and interpretation within comparative psychology. PMID:22492748

Structural characterization, solvent effects on nuclear magnetic shielding tensors, experimental and theoretical DFT studies on the vibrational and NMR spectra of 3-(acrylamido)phenylboronic acid

NASA Astrophysics Data System (ADS)

Alver, Özgür; Kaya, Mehmet Fatih; Dikmen, Gökhan

2015-12-01

Structural elucidation of 3-(acrylamido)phenylboronic acid (C9H10BNO3) was carried out with 1H, 13C and HETCOR NMR techniques. Solvent effects on nuclear magnetic shielding tensors were examined with deuterated dimethyl sulfoxide, acetone, methanol and water solvents. The correct order of appearance of carbon and hydrogen atoms on NMR scale from highest magnetic field region to the lowest one were investigated using different types of theoretical levels and the details of the levels were presented in this study. Stable structural conformers and vibrational band analysis of the title molecule (C9H10BNO3) were studied both experimental and theoretical viewpoints using FT-IR, Raman spectroscopic methods and density functional theory (DFT). FT-IR and Raman spectra were obtained in the region of 4000-400 cm-1, and 3700-10 cm-1, respectively. Becke-3-Lee-Yang-Parr (B3LYP) hybrid density functional theory method with 6-31++G(d, p) basis set was included in the search for optimized structures and vibrational wavenumbers. Experimental and theoretical results show that after application of a suitable scaling factor density functional B3LYP method resulted in acceptable results for predicting vibrational wavenumbers except OH and NH stretching modes which is most likely arising from increasing unharmonicity in the high wave number region and possible intra and inter molecular interaction at OH edges those of which are not fully taken into consideration in theoretical processes. To make a more quantitative vibrational assignments, potential energy distribution (PED) values were calculated using VEDA 4 (Vibrational Energy Distribution Analysis) program.

Nuclear spectroscopic studies. Progress report

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

Bingham, C.R.; Guidry, M.W.; Riedinger, L.L.

1994-02-18

The Nuclear Physics group at UTK is involved in heavy-ion physics including both nuclear structure and reaction mechanisms. During the last year experimental work has been in 3 broad areas: structure of nuclei at high angular momentum, structure of nuclei far from stability, and ultra-relativistic heavy-ion physics. Results in these areas are described in this document under: properties of high-spin states, study of low-energy levels of nuclei far from stability, and high-energy heavy-ion physics (PHENIX, etc.). Another important component of the work is theoretical interpretation of experimental results (Joint Institute for Heavy Ion Research).

Quantum-dot-tagged microbeads for multiplexed optical coding of biomolecules.

PubMed

Han, M; Gao, X; Su, J Z; Nie, S

2001-07-01

Multicolor optical coding for biological assays has been achieved by embedding different-sized quantum dots (zinc sulfide-capped cadmium selenide nanocrystals) into polymeric microbeads at precisely controlled ratios. Their novel optical properties (e.g., size-tunable emission and simultaneous excitation) render these highly luminescent quantum dots (QDs) ideal fluorophores for wavelength-and-intensity multiplexing. The use of 10 intensity levels and 6 colors could theoretically code one million nucleic acid or protein sequences. Imaging and spectroscopic measurements indicate that the QD-tagged beads are highly uniform and reproducible, yielding bead identification accuracies as high as 99.99% under favorable conditions. DNA hybridization studies demonstrate that the coding and target signals can be simultaneously read at the single-bead level. This spectral coding technology is expected to open new opportunities in gene expression studies, high-throughput screening, and medical diagnostics.

Lightning induced currents in aircraft wiring using low level injection techniques

NASA Technical Reports Server (NTRS)

Stevens, E. G.; Jordan, D. T.

1991-01-01

Various techniques were studied to predict the transient current induced into aircraft wiring bundles as a result of an aircraft lightning strike. A series of aircraft measurements were carried out together with a theoretical analysis using computer modeling. These tests were applied to various aircraft and also to specially constructed cylinders installed within coaxial return conductor systems. Low level swept frequency CW (carrier waves), low level transient and high level transient injection tests were applied to the aircraft and cylinders. Measurements were made to determine the transfer function between the aircraft drive current and the resulting skin currents and currents induced on the internal wiring. The full threat lightning induced transient currents were extrapolated from the low level data using Fourier transform techniques. The aircraft and cylinders used were constructed from both metallic and CFC (carbon fiber composite) materials. The results show the pulse stretching phenomenon which occurs for CFC materials due to the diffusion of the lightning current through carbon fiber materials. Transmission Line Matrix modeling techniques were used to compare theoretical and measured currents.

Extrapolating theoretical efficacy of inactivated influenza A/H5N1 virus vaccine from human immunogenicity studies

PubMed Central

Feldstein, Leora R.; Matrajt, Laura; Halloran, M. Elizabeth; Keitel, Wendy A.; Longini, Ira M.

2016-01-01

Influenza A virus subtype H5N1 has been a public health concern for almost 20 years due to its potential ability to become transmissible among humans. Phase I and II clinical trials have assessed safety, reactogenicity and immunogenicity of inactivated influenza A/H5N1 virus vaccines. A shortage of vaccine is likely to occur during the first months of a pandemic. Hence, determining whether to give one dose to more people or two doses to fewer people to best protect the population is essential. We use hemagglutination-inhibition antibody titers as an immune correlate for avian influenza vaccines. Using an established relationship to obtain a theoretical vaccine efficacy from immunogenicity data from thirteen arms of six phase I and phase II clinical trials of inactivated influenza A/H5N1 virus vaccines, we assessed: 1) the proportion of theoretical vaccine efficacy achieved after a single dose (defined as primary response level), and 2) whether theoretical efficacy increases after a second dose, with and without adjuvant. Participants receiving vaccine with AS03 adjuvant had higher primary response levels (range: 0.48–0.57) compared to participants receiving vaccine with MF59 adjuvant (range: 0.32–0.47), with no observed trends in primary response levels by antigen dosage. After the first and second doses, vaccine with AS03 at dosage levels 3.75, 7.5 and 15 mcg had the highest estimated theoretical vaccine efficacy: Dose 1) 45% (95%CI: 36–57%), 53% (95%CI: 42–63%) and 55% (95%CI: 44–64%), respectively and Dose 2) 93% (95%CI: 89–96%), 97% (95%CI: 95–98%) and 97% (95%CI: 96–100%), respectively. On average, the estimated theoretical vaccine efficacy of lower dose adjuvanted vaccines (AS03 and MF59) was 17% higher than that of higher dose unadjuvanted vaccines, suggesting that including an adjuvant is dose-sparing. These data indicate adjuvanted inactivated influenza A/H5N1 virus vaccine produces high theoretical efficacy after two doses to protect individuals against a potential avian influenza pandemic. PMID:27268778

Visual object imagery and autobiographical memory: Object Imagers are better at remembering their personal past.

PubMed

Vannucci, Manila; Pelagatti, Claudia; Chiorri, Carlo; Mazzoni, Giuliana

2016-01-01

In the present study we examined whether higher levels of object imagery, a stable characteristic that reflects the ability and preference in generating pictorial mental images of objects, facilitate involuntary and voluntary retrieval of autobiographical memories (ABMs). Individuals with high (High-OI) and low (Low-OI) levels of object imagery were asked to perform an involuntary and a voluntary ABM task in the laboratory. Results showed that High-OI participants generated more involuntary and voluntary ABMs than Low-OI, with faster retrieval times. High-OI also reported more detailed memories compared to Low-OI and retrieved memories as visual images. Theoretical implications of these findings for research on voluntary and involuntary ABMs are discussed.

A theoretical assessment of the O3/H2O interference problem in the detection of natural levels of OH via laser induced fluorescence

NASA Technical Reports Server (NTRS)

Davis, D. D.; Rodgers, M. O.; Fischer, S. D.; Heaps, W. S.

1981-01-01

Theoretical calculations are presented which estimate the possible magnitude of the O3/H2O derived OH interference signal resulting from the use of the laser-induced fluorescence technique in measuring natural levels of tropospheric OH. Critical to this new assessment has been the measurement of the nascent OH quantum state distribution resulting from the reaction O(1D) + H2O yields 2OH, and an assessment of the subsequent rotational relaxation of the OH species when formed in high k levels.

High temperature dilute acid pretreatment of coastal Bermuda grass for enzymatic hydrolysis.

PubMed

Redding, Arthur P; Wang, Ziyu; Keshwani, Deepak R; Cheng, Jay J

2011-01-01

Dilute sulfuric acid was used to pretreat coastal Bermuda grass at high temperature prior to enzymatic hydrolysis. After both pretreatment and enzymatic hydrolysis processes, the highest yield of total sugars (combined xylose and glucose) was 97% of the theoretical value. The prehydrolyzate liquor was analyzed for inhibitory compounds (furfural, hydroxymethylfurfural (HMF)) in order to assess potential risk for inhibition during the following fermentation. Accounting for the formation of the inhibitory compounds, a pretreatment with 1.2% acid at 140 °C for 30 min with a total sugar yield of 94% of the theoretical value may be more favorable for fermentation. From this study, it can be concluded that dilute sulfuric acid pretreatment can be successfully applied to coastal Bermuda grass to achieve high yields of monomeric glucose and xylose with acceptable levels of inhibitory compound formation. Copyright © 2010 Elsevier Ltd. All rights reserved.

Comparison of theoretical proteomes: identification of COGs with conserved and variable pI within the multimodal pI distribution.

PubMed

Nandi, Soumyadeep; Mehra, Nipun; Lynn, Andrew M; Bhattacharya, Alok

2005-09-09

Theoretical proteome analysis, generated by plotting theoretical isoelectric points (pI) against molecular masses of all proteins encoded by the genome show a multimodal distribution for pI. This multimodal distribution is an effect of allowed combinations of the charged amino acids, and not due to evolutionary causes. The variation in this distribution can be correlated to the organisms ecological niche. Contributions to this variation maybe mapped to individual proteins by studying the variation in pI of orthologs across microorganism genomes. The distribution of ortholog pI values showed trimodal distributions for all prokaryotic genomes analyzed, similar to whole proteome plots. Pairwise analysis of pI variation show that a few COGs are conserved within, but most vary between, the acidic and basic regions of the distribution, while molecular mass is more highly conserved. At the level of functional grouping of orthologs, five groups vary significantly from the population of orthologs, which is attributed to either conservation at the level of sequences or a bias for either positively or negatively charged residues contributing to the function. Individual COGs conserved in both the acidic and basic regions of the trimodal distribution are identified, and orthologs that best represent the variation in levels of the acidic and basic regions are listed. The analysis of pI distribution by using orthologs provides a basis for resolution of theoretical proteome comparison at the level of individual proteins. Orthologs identified that significantly vary between the major acidic and basic regions maybe used as representative of the variation of the entire proteome.

Burning of forest materials under late Paleozoic high atmospheric oxygen levels

Treesearch

Richard A., Jr. Wildman; Leo J. Hickey; Matthew B. Dickinson; Robert A. Berner; Jennifer M. Robinson; Michael Dietrich; Robert H. Essenhigh; Craig B. Wildman

2004-01-01

Theoretical models suggest that atmospheric oxygen reached concentrations as high as 35% O2 during the past 550 m.y. Previous burning experiments using strips of paper have challenged this idea, concluding that ancient wildfires would have decimated plant life if O2 significantly exceeded its present level of 21%. New...

Nuclear Magnetic Resonance Reveals Disordered Level-Crossing Physics in the Bose-Glass Regime of the Br-Doped Ni(Cl_{1-x}Br_{x})_{2}-4SC(NH_{2})_{2} Compound at a High Magnetic Field.

PubMed

Orlova, Anna; Blinder, Rémi; Kermarrec, Edwin; Dupont, Maxime; Laflorencie, Nicolas; Capponi, Sylvain; Mayaffre, Hadrien; Berthier, Claude; Paduan-Filho, Armando; Horvatić, Mladen

2017-02-10

By measuring the nuclear magnetic resonance (NMR) T_{1}^{-1} relaxation rate in the Br (bond) doped DTN compound, Ni(Cl_{1-x}Br_{x})_{2}-4SC(NH_{2})_{2}(DTNX), we show that the low-energy spin dynamics of its high magnetic field "Bose-glass" regime is dominated by a strong peak of spin fluctuations found at the nearly doping-independent position H^{*}≅13.6  T. From its temperature and field dependence, we conclude that this corresponds to a level crossing of the energy levels related to the doping-induced impurity states. Observation of the local NMR signal from the spin adjacent to the doped Br allowed us to fully characterize this impurity state. We have thus quantified a microscopic theoretical model that paves the way to better understanding of the Bose-glass physics in DTNX, as revealed in the related theoretical study [M. Dupont, S. Capponi, and N. Laflorencie, Phys. Rev. Lett. 118, 067204 (2017).PRLTAO0031-900710.1103/PhysRevLett.118.067204].

Experimental and theoretical study of the electronic structure of single-crystal BaBiO3

NASA Astrophysics Data System (ADS)

Balandeh, Shadi; Green, Robert J.; Foyevtsova, Kateryna; Chi, Shun; Foyevtsov, Oleksandr; Li, Fengmiao; Sawatzky, George A.

2017-10-01

High quality single crystals of BaBiO3 were grown by congruent melting technique and characterized with x-ray diffraction, x-ray photoemission, and transport property studies. The perovskite oxide BaBiO3 is a negative charge transfer gap high Tc oxide parent superconducting compound exhibiting self-doping of holes into the oxygen 2 p band. We study the low energy scale valence and conduction bands in detail from both a theoretical perspective as well as through x ray, absorption/emission, and photoelectron spectroscopies. X-ray spectroscopy verifies the results of density functional theory (DFT) regarding the overall band structure featuring strong O 2 p character of the empty antibonding combination of the hybridized Bi 6 s and O 2 p states. From the analysis of the core level line shapes we conclude that the dominant O 2 p -Bi 6 s hybridization energy scale determines the low energy scale electronic structure. This analysis provides further insight into the importance of self-doped oxygen 2 p states in this high Tc family of oxides.

Study of Thread Level Parallelism in a Video Encoding Application for Chip Multiprocessor Design

NASA Astrophysics Data System (ADS)

Debes, Eric; Kaine, Greg

2002-11-01

In media applications there is a high level of available thread level parallelism (TLP). In this paper we study the intra TLP in a video encoder. We show that a well-distributed highly optimized encoder running on a symmetric multiprocessor (SMP) system can run 3.2 faster on a 4-way SMP machine than on a single processor. The multithreaded encoder running on an SMP system is then used to understand the requirements of a chip multiprocessor (CMP) architecture, which is one possible architectural direction to better exploit TLP. In the framework of this study, we use a software approach to evaluate the dataflow between processors for the video encoder running on an SMP system. An estimation of the dataflow is done with L2 cache miss event counters using Intel® VTuneTM performance analyzer. The experimental measurements are compared to theoretical results.

Religiosity as self-enhancement: a meta-analysis of the relation between socially desirable responding and religiosity.

PubMed

Sedikides, Constantine; Gebauer, Jochen E

2010-02-01

In a meta-analysis, the authors test the theoretical formulation that religiosity is a means for self-enhancement. The authors operationalized self-enhancement as socially desirable responding (SDR) and focused on three facets of religiosity: intrinsic, extrinsic, and religion-as-quest. Importantly, they assessed two moderators of the relation between SDR and religiosity. Macro-level culture reflected countries that varied in degree of religiosity (from high to low: United States, Canada, United Kingdom). Micro-level culture reflected U.S. universities high (Christian) versus low (secular) on religiosity. The results were generally consistent with the theoretical formulation. Both macro-level and micro-level culture moderated the relation between SDR and religiosity: This relation was more positive in samples that placed higher value on religiosity (United States > Canada > United Kingdom; Christian universities > secular universities). The evidence suggests that religiosity is partly in the service of self-enhancement.

The Process and Pitfalls of Developing a Culturally Relevant Curriculum To Reduce AIDS among Sexually Active Teenagers: The Take 5 Project.

ERIC Educational Resources Information Center

Gillmore, Mary R.; And Others

Several studies have shown that adolescents have reasonably high levels of knowledge about Acquired Immune Deficiency Syndrome (AIDS) transmission and prevention, yet they still engage in risky sexual activities. In response to this dilemma, a theoretically and empirically grounded intervention which went beyond presenting facts and figures was…

En las Manos de Dios [in God's Hands]: Religious and Other Forms of Coping among Latinos with Arthritis

ERIC Educational Resources Information Center

Abraido-Lanza, Ana F.; Vasquez, Elizabeth; Echeverria, Sandra E.

2004-01-01

This study tested a theoretical model concerning religious, passive, and active coping; pain; and psychological adjustment among a sample of 200 Latinos with arthritis. Respondents reported using high levels of religious coping. A path analysis indicated that religious coping was correlated with active but not with passive coping. Religious coping…

When is selective self-presentation effective? An investigation of the moderation effects of "self-esteem" and "social trust".

PubMed

Kim, Yoonkyung; Baek, Young Min

2014-11-01

This study investigates the relationship between selective self-presentation and online life satisfaction, and how this relationship is influenced by respondents' perceptions of "self" (operationalized by "self-esteem") and "others" (operationalized by "social trust"). Relying on survey data from 712 Korean online users, two important findings were detected in our study. First, the positive relationship between selective self-presentation and online life satisfaction becomes more prominent among people with low self-esteem compared to those with high self-esteem, and second, this positive relationship is enhanced among people with high levels of social trust compared to those with low trust levels. Theoretical and practical implications of our findings as well as potential limitations are discussed.

Fluorescence Manipulation by Gold Nanoparticles: From Complete Quenching to Extensive Enhancement

PubMed Central

2011-01-01

Background When a fluorophore is placed in the vicinity of a metal nanoparticle possessing a strong plasmon field, its fluorescence emission may change extensively. Our study is to better understand this phenomenon and predict the extent of quenching and/or enhancement of fluorescence, to beneficially utilize it in molecular sensing/imaging. Results Plasmon field intensities on/around gold nanoparticles (GNPs) with various diameters were theoretically computed with respect to the distance from the GNP surface. The field intensity decreased rapidly with the distance from the surface and the rate of decrease was greater for the particle with a smaller diameter. Using the plasmon field strength obtained, the level of fluorescence alternation by the field was theoretically estimated. For experimental studies, 10 nm GNPs were coated with polymer layer(s) of known thicknesses. Cypate, a near infrared fluorophore, was placed on the outermost layer of the polymer coated GNPs, artificially separated from the GNP at known distances, and its fluorescence levels were observed. The fluorescence of Cypate on the particle surface was quenched almost completely and, at approximately 5 nm from the surface, it was enhanced ~17 times. The level decreased thereafter. Theoretically computed fluorescence levels of the Cypate placed at various distances from a 10 nm GNP were compared with the experimental data. The trend of the resulting fluorescence was similar. The experimental results, however, showed greater enhancement than the theoretical estimates, in general. The distance from the GNP surface that showed the maximum enhancement in the experiment was greater than the one theoretically predicted, probably due to the difference in the two systems. Conclusions Factors affecting the fluorescence of a fluorophore placed near a GNP are the GNP size, coating material on GNP, wavelengths of the incident light and emitted light and intrinsic quantum yield of the fluorophore. Experimentally, we were able to quench and enhance the fluorescence of Cypate, by changing the distance between the fluorophore and GNP. This ability of artificially controlling fluorescence can be beneficially used in developing contrast agents for highly sensitive and specific optical sensing and imaging. PMID:21569249

Puffed-up but shaky selves: State self-esteem level and variability in narcissists.

PubMed

Geukes, Katharina; Nestler, Steffen; Hutteman, Roos; Dufner, Michael; Küfner, Albrecht C P; Egloff, Boris; Denissen, Jaap J A; Back, Mitja D

2017-05-01

Different theoretical conceptualizations characterize grandiose narcissists by high, yet fragile self-esteem. Empirical evidence, however, has been inconsistent, particularly regarding the relationship between narcissism and self-esteem fragility (i.e., self-esteem variability). Here, we aim at unraveling this inconsistency by disentangling the effects of two theoretically distinct facets of narcissism (i.e., admiration and rivalry) on the two aspects of state self-esteem (i.e., level and variability). We report on data from a laboratory-based and two field-based studies (total N = 596) in realistic social contexts, capturing momentary, daily, and weekly fluctuations of state self-esteem. To estimate unbiased effects of narcissism on the level and variability of self-esteem within one model, we applied mixed-effects location scale models. Results of the three studies and their meta-analytical integration indicated that narcissism is positively linked to self-esteem level and variability. When distinguishing between admiration and rivalry, however, an important dissociation was identified: Admiration was related to high (and rather stable) levels of state self-esteem, whereas rivalry was related to (rather low and) fragile self-esteem. Analyses on underlying processes suggest that effects of rivalry on self-esteem variability are based on stronger decreases in self-esteem from one assessment to the next, particularly after a perceived lack of social inclusion. The revealed differentiated effects of admiration and rivalry explain why the analysis of narcissism as a unitary concept has led to the inconsistent past findings and provide deeper insights into the intrapersonal dynamics of grandiose narcissism governing state self-esteem. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

The mathematical and theoretical biology institute--a model of mentorship through research.

PubMed

Camacho, Erika T; Kribs-Zaleta, Christopher M; Wirkus, Stephen

2013-01-01

This article details the history, logistical operations, and design philosophy of the Mathematical and Theoretical Biology Institute (MTBI), a nationally recognized research program with an 18-year history of mentoring researchers at every level from high school through university faculty, increasing the number of researchers from historically underrepresented minorities, and motivating them to pursue research careers by allowing them to work on problems of interest to them and supporting them in this endeavor. This mosaic profile highlights how MTBI provides a replicable multi-level model for research mentorship.

Theoretical models of helicopter rotor noise

NASA Technical Reports Server (NTRS)

Hawkings, D. L.

1978-01-01

For low speed rotors, it is shown that unsteady load models are only partially successful in predicting experimental levels. A theoretical model is presented which leads to the concept of unsteady thickness noise. This gives better agreement with test results. For high speed rotors, it is argued that present models are incomplete and that other mechanisms are at work. Some possibilities are briefly discussed.

Radiation from High Temperature Plasmas.

DTIC Science & Technology

1980-09-09

the silicon radiation, both lines and continuum, photoionizes and photoexcites bound levels of the aluminum plasma. This raises the state of...experimental broadening, a program was established to catalog all the spectra calculated theoretically and convolute them with Gaussian broadening... theoretical " spectrum into an observed spectrum as the experimental broadening increases. This evolution is seen in the next section for the case of an

Threshold collision-induced dissociation and theoretical study of protonated azobenzene

NASA Astrophysics Data System (ADS)

Rezaee, Mohammadreza; McNary, Christopher P.; Armentrout, P. B.

2017-10-01

Protonated azobenzene (AB), H+(C6H5N2C6H5), has been studied using threshold collision-induced dissociation in a guided ion beam tandem mass spectrometer. Product channels observed are C6H5N2+ + C6H6 and C6H5+ + N2 + C6H6. The experimental kinetic energy-dependent cross sections were analyzed using a statistical model that accounts for internal and kinetic energy distributions of the reactants, multiple collisions, and kinetic shifts. From this analysis, the activation energy barrier height of 2.02 ± 0.11 eV for benzene loss is measured. To identify the transition states (TSs) and intermediates (IMs) for these dissociations, relaxed potential energy surface (PES) scans were performed at the B3LYP/aug-cc-pVTZ level of theory. The PES indicates that there is a substantial activation energy along the dissociation reaction coordinate that is the rate-limiting step for benzene loss and at some levels of theory, for subsequent N2 loss as well. Relative energies of the reactant, TSs, IMs, and products were calculated at B3LYP, wB97XD, M06, PBEPBE, and MP2(full) levels of theory using both 6-311++G(2d,2p) and aug-cc-pVTZ basis sets. Comparison of the experimental results with theoretical values from various computational methods indicates how well these theoretical methods can predict thermochemical properties. In addition to these density functional theory and MP2 methods, several high accuracy multi-level calculations such as CBS-QB3, G3, G3MP2, G3B3MP2, G4, and G4MP2 were performed to determine the thermochemical properties of AB including the proton affinity and gas-phase basicity, and to compare the performance of different theoretical methods.

Comparison of theoretical proteomes: Identification of COGs with conserved and variable pI within the multimodal pI distribution

PubMed Central

Nandi, Soumyadeep; Mehra, Nipun; Lynn, Andrew M; Bhattacharya, Alok

2005-01-01

Background Theoretical proteome analysis, generated by plotting theoretical isoelectric points (pI) against molecular masses of all proteins encoded by the genome show a multimodal distribution for pI. This multimodal distribution is an effect of allowed combinations of the charged amino acids, and not due to evolutionary causes. The variation in this distribution can be correlated to the organisms ecological niche. Contributions to this variation maybe mapped to individual proteins by studying the variation in pI of orthologs across microorganism genomes. Results The distribution of ortholog pI values showed trimodal distributions for all prokaryotic genomes analyzed, similar to whole proteome plots. Pairwise analysis of pI variation show that a few COGs are conserved within, but most vary between, the acidic and basic regions of the distribution, while molecular mass is more highly conserved. At the level of functional grouping of orthologs, five groups vary significantly from the population of orthologs, which is attributed to either conservation at the level of sequences or a bias for either positively or negatively charged residues contributing to the function. Individual COGs conserved in both the acidic and basic regions of the trimodal distribution are identified, and orthologs that best represent the variation in levels of the acidic and basic regions are listed. Conclusion The analysis of pI distribution by using orthologs provides a basis for resolution of theoretical proteome comparison at the level of individual proteins. Orthologs identified that significantly vary between the major acidic and basic regions maybe used as representative of the variation of the entire proteome. PMID:16150155

Tetraphenylporphyrin electronic properties: a combined theoretical and experimental study of thin films deposited by SuMBD.

PubMed

Nardi, Marco; Verucchi, Roberto; Corradi, Claudio; Pola, Marco; Casarin, Maurizio; Vittadini, Andrea; Iannotta, Salvatore

2010-01-28

Porphyrins and their metal complexes are particularly well suitable for applications in photoelectronics, sensing, energy production, because of their chemical, electronic and optical properties. The understanding of the electronic properties of the pristine molecule is of great relevance for the study and application of the wide class of these compounds. This is notably important for the recently achieved in-vacuo synthesis of organo-metallic thin films directly from the pure free base organic-inorganic precursors in the vapor phase, and its interpretation by means of surface electron spectroscopies. We report on a combined experimental and theoretical study of the physical/chemical properties of tetraphenylporphyrin, H(2)TPP, deposited on the SiO(2)/Si(100) native oxide surface by supersonic molecular beam deposition (SuMBD). Valence states and 1s core level emissions of carbon and nitrogen have been investigated with surface photoelectron spectroscopies by using synchrotron radiation light. The interpretation of the spectra has been guided by density functional numerical experiments on the gas-phase molecule. Non-relativistic calculations were carried out for the valence states, whereas a two component relativistic approach in the zeroth-order regular approximation was used to investigate the core levels. The good agreement between theoretical and experimental analysis results in a comprehensive overview of the chemical properties of the H(2)TPP molecule, highly improving reliability in the interpretation of experimental photoemission spectra.

Experimental effects of chocolate deprivation on cravings, mood, and consumption in high and low chocolate-cravers.

PubMed

Moreno-Dominguez, Silvia; Rodríguez-Ruiz, Sonia; Martín, María; Warren, Cortney S

2012-02-01

This study examined how deprivation of chocolate affects state-level chocolate cravings, mood, and chocolate consumption in high and low trait-level chocolate-cravers. After identifying high and low chocolate cravers (N=58), half of the participants were instructed not to eat any chocolate for 2weeks. This created four experimental groups: deprived high-cravers (n=14), deprived low-cravers (n=14), non-deprived high-cravers (n=15), and non-deprived low-cravers (n=15). Following 2-week deprivation, state-level food cravings, mood, and chocolate intake were measured in a laboratory setting and compared across groups. Analyses revealed that anxiety increased over time for high-cravers (both deprived and non-deprived); state-level chocolate- and food-craving increased over time for both deprived groups and non-deprived high-cravers; non-deprived high-cravers ate the most chocolate; and, high-cravers were more joyful and guilty than low-cravers after eating chocolate in the laboratory. Theoretically, these results suggest that chocolate consumption may be better explained by trait-level of chocolate craving than by deprivation and highlighted significant differences in mood, state-level cravings, and chocolate intake between cravers and non-cravers following deprivation. Copyright © 2011 Elsevier Ltd. All rights reserved.

Determination of 54 pesticides in waters of the Iberian Douro River estuary and risk assessment of environmentally relevant mixtures using theoretical approaches and Artemia salina and Daphnia magna bioassays.

PubMed

Cruzeiro, Catarina; Amaral, Sofia; Rocha, Eduardo; Rocha, Maria João

2017-11-01

As a case study, the estuary of the international Douro River (Iberian Peninsula) was sampled over a year (2010) at six sampling sites to determine the presence of 56 pesticides of different categories (insecticides, herbicides, and fungicides). 96% of measured pesticides were detected in 79% of the quantified samples. Individual average pesticide concentrations ranged from 39 to 1 265ng/L, indicating a ubiquitous presence of the selected compounds; moreover, twelve pesticides were above the 2013/39/EU Directive limits. Due to its highly impacted profile, a theoretical hazard assessment was done considering the average and maximum environmental mixtures of all measured pesticides to identify the most sensitive trophic level. For both environmental mixtures, the theoretical approach suggested that invertebrates were the most sensitive group. Therefore, short-time exposure assays using both invertebrates Artemia salina and Daphnia magna, were done using the referred mixtures. Data demonstrated significant toxic effects ─ high mortality rate and abnormal swimming behaviour ─ of the exposed animals. Both approaches (theoretical and experimental) support the analytical results, alerting for an intervention on this estuarine environment and of other comparable. Copyright © 2017 Elsevier Inc. All rights reserved.

A biologically inspired artificial muscle based on fiber-reinforced and electropneumatic dielectric elastomers

NASA Astrophysics Data System (ADS)

Liu, Lei; Zhang, Chi; Luo, Meng; Chen, Xi; Li, Dichen; Chen, Hualing

2017-08-01

Dielectric elastomers (DEs) have great potential for use as artificial muscles because of the following characteristics: electrical activity, fast and large deformation under stimuli, and softness as natural muscles. Inspired by the traditional McKibben actuators, in this study, we developed a cylindrical soft fiber-reinforced and electropneumatic DE artificial muscle (DEAM) by mimicking the spindle shape of natural muscles. Based on continuum mechanics and variation principle, the inhomogeneous actuation of DEAMs was theoretically modeled and calculated. Prototypes of DEAMs were prepared to validate the design concept and theoretical model. The theoretical predictions are consistent with the experimental results; they successfully predicted the evolutions of the contours of DEAMs with voltage. A pneumatically supported high prestretch in the hoop direction was achieved by our DEAM prototype without buckling the soft fibers sandwiched by the DE films. Besides, a continuously tunable prestretch in the actuation direction was achieved by varying the supporting pressure. Using the theoretical model, the failure modes, maximum actuations, and critical voltages were analyzed; they were highly dependent on the structural parameters, i.e., the cylinder aspect ratio, prestretch level, and supporting pressure. The effects of structural parameters and supporting pressure on the actuation performance were also investigated to optimize the DEAMs.

Rational design of a molecularly imprinted polymer for dinotefuran: theoretical and experimental studies aimed at the development of an efficient adsorbent for microextraction by packed sorbent.

PubMed

Silva, Camilla Fonseca; Borges, Keyller Bastos; do Nascimento, Clebio Soares

2017-12-18

In this work, we studied theoretically the formation process of a molecularly imprinted polymer (MIP) for dinotefuran (DNF), testing distinct functional monomers (FM) in various solvents through density functional theory calculations. The results revealed that the best conditions for MIP synthesis were established with methacrylic acid (MAA) as FM in a 1 : 4 stoichiometry and with chloroform as the solvent. This protocol showed the most favourable stabilization energies for the pre-polymerization complexes. Furthermore, the formation of the FM/template complex is enthalpy driven and the occurrence of hydrogen bonds between the DNF and MAA plays a major role in the complex stability. To confirm the theoretical results, MIP was experimentally synthesized considering the best conditions found at the molecular level and characterized by scanning electron microscopy and thermogravimetric analysis. After that, the synthesized material was efficiently employed in microextraction by packed sorbent combined with high-performance liquid chromatography in a preliminary study of the recovery of DNF from water and artificial saliva samples.

Work-related empowerment of nurse managers: a systematic review.

PubMed

Trus, Marija; Razbadauskas, Arturas; Doran, Diane; Suominen, Tarja

2012-09-01

The present study discusses how nurse managers' work-related empowerment has been investigated, in order to determine the level and relationships of empowerment among them. A systematic review was carried out, and a literature search was conducted with certain electronic databases for the period 1990-2009, using the main key words in various combinations. Only nine empirical studies in English were selected for review, in accordance with the requirements for the methodological quality and inclusion criteria. The most common type of study design was a descriptive survey (n = 5), and included various questionnaires, scales, and interviews. Nurse managers' structural, psychological, and work empowerment was found to be high or moderately high. The empowerment of nurse managers correlated positively with job satisfaction, perceived organizational support, role satisfaction, and managerial self-efficacy, and correlated negatively with emotional exhaustion and own health outcomes. Different theoretical approaches ensure a clear understanding of empowerment, but difficulties arise when the findings are synthesized across studies and settings because of the different theoretical frameworks used to conceptualize empowerment. © 2012 Wiley Publishing Asia Pty Ltd.

Cost-Effective Method for Free-Energy Minimization in Complex Systems with Elaborated Ab Initio Potentials.

PubMed

Bistafa, Carlos; Kitamura, Yukichi; Martins-Costa, Marilia T C; Nagaoka, Masataka; Ruiz-López, Manuel F

2018-06-12

We describe a method to locate stationary points in the free-energy hypersurface of complex molecular systems using high-level correlated ab initio potentials. In this work, we assume a combined QM/MM description of the system although generalization to full ab initio potentials or other theoretical schemes is straightforward. The free-energy gradient (FEG) is obtained as the mean force acting on relevant nuclei using a dual level strategy. First, a statistical simulation is carried out using an appropriate, low-level quantum mechanical force-field. Free-energy perturbation (FEP) theory is then used to obtain the free-energy derivatives for the target, high-level quantum mechanical force-field. We show that this composite FEG-FEP approach is able to reproduce the results of a standard free-energy minimization procedure with high accuracy, while simultaneously allowing for a drastic reduction of both computational and wall-clock time. The method has been applied to study the structure of the water molecule in liquid water at the QCISD/aug-cc-pVTZ level of theory, using the sampling from QM/MM molecular dynamics simulations at the B3LYP/6-311+G(d,p) level. The obtained values for the geometrical parameters and for the dipole moment of the water molecule are within the experimental error, and they also display an excellent agreement when compared to other theoretical estimations. The developed methodology represents therefore an important step toward the accurate determination of the mechanism, kinetics, and thermodynamic properties of processes in solution, in enzymes, and in other disordered chemical systems using state-of-the-art ab initio potentials.

Environmental education curriculum evaluation questionnaire: A reliability and validity study

NASA Astrophysics Data System (ADS)

Minner, Daphne Diane

The intention of this research project was to bridge the gap between social science research and application to the environmental domain through the development of a theoretically derived instrument designed to give educators a template by which to evaluate environmental education curricula. The theoretical base for instrument development was provided by several developmental theories such as Piaget's theory of cognitive development, Developmental Systems Theory, Life-span Perspective, as well as curriculum research within the area of environmental education. This theoretical base fueled the generation of a list of components which were then translated into a questionnaire with specific questions relevant to the environmental education domain. The specific research question for this project is: Can a valid assessment instrument based largely on human development and education theory be developed that reliably discriminates high, moderate, and low quality in environmental education curricula? The types of analyses conducted to answer this question were interrater reliability (percent agreement, Cohen's Kappa coefficient, Pearson's Product-Moment correlation coefficient), test-retest reliability (percent agreement, correlation), and criterion-related validity (correlation). Face validity and content validity were also assessed through thorough reviews. Overall results indicate that 29% of the questions on the questionnaire demonstrated a high level of interrater reliability and 43% of the questions demonstrated a moderate level of interrater reliability. Seventy-one percent of the questions demonstrated a high test-retest reliability and 5% a moderate level. Fifty-five percent of the questions on the questionnaire were reliable (high or moderate) both across time and raters. Only eight questions (8%) did not show either interrater or test-retest reliability. The global overall rating of high, medium, or low quality was reliable across both coders and time, indicating that the questionnaire can discriminate differences in quality of environmental education curricula. Of the 35 curricula evaluated, 6 were high quality, 14 were medium quality and 15 were low quality. The criterion-related validity of the instrument is at current time unable to be established due to the lack of comparable measures or a concretely usable set of multidisciplinary standards. Face and content validity were sufficiently demonstrated.

a Theoretical Search for AN Electronic Spectrum of the He-BeO Complex

NASA Astrophysics Data System (ADS)

Gardner, Adrian; Heaven, Michael

2014-06-01

The surprisingly high dissociation energy of the He-Be bond in the He-BeO complex was first reported 25 years ago. Following which, a number of theoretical studies have investigated similar closed shell helium containing complexes. However, despite these investigations, a complex containing a strong He-X bond has thus far eluded experimental detection. In this work, potential energy surfaces of electronically excited states of the He-BeO complex have been calculated employing high level CASSCF+MRCI+Q methodologies and utilizing extended basis sets. Several excited states show strong interactions between helium and BeO lying in Franck-Condon accessible windows of electronic transitions arising from the vibrationless electronic ground state. It is hoped that the conclusions of this study will result in the observation an electronic spectrum of this long hypothesized strongly bound complex in the near future. W. Koch, J. R. Collins and G. Frenking, Chem. Phys. Lett. 1986, 132 330-333.

Methylation analysis of CMTM3 and DUSP1 gene promoters in high-quality brush hair in the Yangtze River delta white goat.

PubMed

Qiang, Wang; Guo, Haiyan; Li, Yongjun; Shi, Jianfei; Yin, Xiuyuan; Qu, Jingwen

2018-08-20

The Yangtze River delta white goat is the only goat breed that produces high-quality brush hair, which is specifically used in top-grade writing brushes. Previous studies have indicated that the CMTM3 and DUSP1 genes are involved in the growth and cycle of high-quality brush hair, and these genes are thought to be involved in the formation of high-quality brush hair traits. In this study, we investigated the relationship between methylation of CMTM3 and DUSP1 and such traits. The results indicated that the relative expression levels of the CMTM3 and DUSP1 genes were higher in non-high-quality brush hair than in high-quality brush hair. Furthermore, the CpG sites of the DUSP1 gene were not methylated, and the methylation level of CMTM3 was negatively correlated with the gene expression level. We believe that the DUSP1 gene regulates the formation of high-quality brush hair by non-methylated, and that methylation of the CMTM3 gene results in a decrease in its expression, causing an increase in the activity of the androgen receptor and the level of androgen. This high androgen level promotes the growth of high-quality brush hair. These study results provide a theoretical basis for further elucidating the molecular mechanism of the formation of high-quality brush hair characteristics, and provide scientific reference for the molecular breeding of high-quality brush hair. Copyright © 2018 Elsevier B.V. All rights reserved.

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

Pirojsirikul, Teerapong; Götz, Andreas W.; Weare, John

Green Fluorescent Protein (GFP) is a widely used fluorescent biomarker for the study of biological systems. Our investigation is focused on providing a reliable theoretical description of the GFP chromophore, the photochemical properties of which can be influenced through both the surrounding protein environment and pH levels. In this work we are specifically addressing the effect of an aqueous solvation environment , where a number of experimental measurements have been performed. Our approach is based on a combined quantum mechanics molecular mechanics (QM/MM) methodology, which incorporates high level coupled cluster theory for the analysis of excited states. It also presentsmore » the first application of the newly developed NWChem/AMBER QM/MM interface. Using a systematic approach, which involves comparison of gas phase and aqueous results for different protonation states and conformations, we have resolved existing uncertainties regarding theoretical interpretation of the experimental data. We observe that the impact of aqueous environment on charged states generally results in blue shifts, but the magnitude of the effect is sensitive to charge state and conformation and can be rationalized based on charge movement into the area of higher/lower external electrostatic potentials. At neutral pH levels the experimentally observed absorption signal is most likely coming from the phenol protonated form. Our results also show that the high level coupled description is essential for proper description of excited states of GFP.« less

Molecular design of donor-acceptor dyes for efficient dye-sensitized solar cells I: a DFT study.

PubMed

El-Shishtawy, Reda M; Asiri, Abdullah M; Aziz, Saadullah G; Elroby, Shaaban A K

2014-06-01

Dye-sensitized solar cells (DSSCs) have drawn great attention as low cost and high performance alternatives to conventional photovoltaic devices. The molecular design presented in this work is based on the use of pyran type dyes as donor based on frontier molecular orbitals (FMO) and theoretical UV-visible spectra in combination with squaraine type dyes as an acceptor. Density functional theory has been used to investigate several derivatives of pyran type dyes for a better dye design based on optimization of absorption, regeneration, and recombination processes in gas phase. The frontier molecular orbital (FMO) of the HOMO and LUMO energy levels plays an important role in the efficiency of DSSCs. These energies contribute to the generation of exciton, charge transfer, dissociation and exciton recombination. The computations of the geometries and electronic structures for the predicted dyes were performed using the B3LYP/6-31+G** level of theory. The FMO energies (EHOMO, ELUMO) of the studied dyes are calculated and analyzed in the terms of the UV-visible absorption spectra, which have been examined using time-dependent density functional theory (TD-DFT) techniques. This study examined absorption properties of pyran based on theoretical UV-visible absorption spectra, with comparisons between TD-DFT using B3LYP, PBE, and TPSSH functionals with 6-31+G (d) and 6-311++G** basis sets. The results provide a valuable guide for the design of donor-acceptor (D-A) dyes with high molar absorptivity and current conversion in DSSCs. The theoretical results indicated 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran dye (D2-Me) can be effectively used as a donor dye for DSSCs. This dye has a low energy gap by itself and a high energy gap with squaraine acceptor type dye, the design that reduces the recombination and improves the photocurrent generation in solar cell.

Optical Basicity and Nepheline Crystallization in High Alumina Glasses

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

Rodriguez, Carmen P.; McCloy, John S.; Schweiger, M. J.

2011-02-25

The purpose of this study was to find compositions that increase waste loading of high-alumina wastes beyond what is currently acceptable while avoiding crystallization of nepheline (NaAlSiO4) on slow cooling. Nepheline crystallization has been shown to have a large impact on the chemical durability of high-level waste glasses. It was hypothesized that there would be some composition regions where high-alumina would not result in nepheline crystal production, compositions not currently allowed by the nepheline discriminator. Optical basicity (OB) and the nepheline discriminator (ND) are two ways of describing a given complex glass composition. This report presents the theoretical and experimentalmore » basis for these models. They are being studied together in a quadrant system as metrics to explore nepheline crystallization and chemical durability as a function of waste glass composition. These metrics were calculated for glasses with existing data and also for theoretical glasses to explore nepheline formation in Quadrant IV (passes OB metric but fails ND metric), where glasses are presumed to have good chemical durability. Several of these compositions were chosen, and glasses were made to fill poorly represented regions in Quadrant IV. To evaluate nepheline formation and chemical durability of these glasses, quantitative X-ray diffraction (XRD) analysis and the Product Consistency Test were conducted. A large amount of quantitative XRD data is collected here, both from new glasses and from glasses of previous studies that had not previously performed quantitative XRD on the phase assemblage. Appendix A critically discusses a large dataset to be considered for future quantitative studies on nepheline formation in glass. Appendix B provides a theoretical justification for choice of the oxide coefficients used to compute the OB criterion for nepheline formation.« less

Vibrational spectroscopy (FT-IR and Laser-Raman) investigation, and computational (M06-2X and B3LYP) analysis on the structure of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone.

PubMed

Sert, Yusuf; Miroslaw, Barbara; Çırak, Çağrı; Doğan, Hatice; Szulczyk, Daniel; Struga, Marta

2014-07-15

In this study, the experimental and theoretical vibrational spectral analysis of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone have been carried out. The experimental FT-IR (4000-400 cm(-1)) and Laser-Raman spectra (4000-100 cm(-1)) have been recorded for the solid state samples. The theoretical vibrational frequencies and the optimized geometric parameters (bond lengths and angles) have been calculated for gas phase using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr) and M06-2X (the highly parametrized, empirical exchange correlation function) quantum chemical methods with 6-311++G(d,p) basis set. The diversity in molecular geometry of fluorophenyl substituted thiosemicarbazones has been discussed based on the X-ray crystal structure reports and theoretical calculation results from the literature. The assignments of the vibrational frequencies have been done on the basis of potential energy distribution (PED) analysis by using VEDA4 software. A good correlation was found between the computed and experimental geometric and vibrational data. In addition, the highest occupied (HOMO) and lowest unoccupied (LUMO) molecular orbital energy levels and other related molecular energy values of the compound have been determined using the same level of theoretical calculations. Copyright © 2014 Elsevier B.V. All rights reserved.

High Gradient Accelerator Research

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

Temkin, Richard

The goal of the MIT program of research on high gradient acceleration is the development of advanced acceleration concepts that lead to a practical and affordable next generation linear collider at the TeV energy level. Other applications, which are more near-term, include accelerators for materials processing; medicine; defense; mining; security; and inspection. The specific goals of the MIT program are: • Pioneering theoretical research on advanced structures for high gradient acceleration, including photonic structures and metamaterial structures; evaluation of the wakefields in these advanced structures • Experimental research to demonstrate the properties of advanced structures both in low-power microwave coldmore » test and high-power, high-gradient test at megawatt power levels • Experimental research on microwave breakdown at high gradient including studies of breakdown phenomena induced by RF electric fields and RF magnetic fields; development of new diagnostics of the breakdown process • Theoretical research on the physics and engineering features of RF vacuum breakdown • Maintaining and improving the Haimson / MIT 17 GHz accelerator, the highest frequency operational accelerator in the world, a unique facility for accelerator research • Providing the Haimson / MIT 17 GHz accelerator facility as a facility for outside users • Active participation in the US DOE program of High Gradient Collaboration, including joint work with SLAC and with Los Alamos National Laboratory; participation of MIT students in research at the national laboratories • Training the next generation of Ph. D. students in the field of accelerator physics.« less

Theoretical determination of chemical rate constants using novel time-dependent methods

NASA Technical Reports Server (NTRS)

Dateo, Christopher E.

1994-01-01

The work completed within the grant period 10/1/91 through 12/31/93 falls primarily in the area of reaction dynamics using both quantum and classical mechanical methodologies. Essentially four projects have been completed and have been or are in preparation of being published. The majority of time was spent in the determination of reaction rate coefficients in the area of hydrocarbon fuel combustion reactions which are relevant to NASA's High Speed Research Program (HSRP). These reaction coefficients are important in the design of novel jet engines with low NOx emissions, which through a series of catalytic reactions contribute to the deterioration of the earth's ozone layer. A second area of research studied concerned the control of chemical reactivity using ultrashort (femtosecond) laser pulses. Recent advances in pulsed-laser technologies have opened up a vast new field to be investigated both experimentally and theoretically. The photodissociation of molecules adsorbed on surfaces using novel time-independent quantum mechanical methods was a third project. And finally, using state-of-the-art, high level ab initio electronic structure methods in conjunction with accurate quantum dynamical methods, the rovibrational energy levels of a triatomic molecule with two nonhydrogen atoms (HCN) were calculated to unprecedented levels of agreement between theory and experiment.

The prevalence and consequences of burnout on a group of preclinical dental students.

PubMed

Atalayin, Cigdem; Balkis, Murat; Tezel, Huseyin; Onal, Banu; Kayrak, Gul

2015-01-01

The aim of this study is to investigate the prevalence of burnout among a group of Turkish preclinical dental students, to compare the level of burnout and to determine the consequences in structural equation model. Preclinical dental students (n = 329, 50.5% of females and 49.5% of males) aged between 18 and 24 took part in the study. Maslach burnout inventory student version, academic satisfaction scale, and personal information sheet were used to gather data. Pearson correlation analyses, t-test, and one-way ANOVA were used for statistical analysis. The proposed theoretical model was tested via observed variable path analysis using maximum likelihood parameter estimation with AMOS 7.0. About 22.3% of students had high level of emotional exhaustion, 16.7% of students had high level of cynicism, and 17.9% of students suffered from high level of reduced academic efficacy. While the students attending the first grade reported higher level of reduced academic efficacy, the students in the third grade reported higher level of emotional exhaustion. Academic workload played an important role in the development of burnout. As consequences of burnout, students with high levels of burnout intended to change their current major and did not to plan to continue to postgraduate education. Students with high level of burnout reported less level of academic satisfaction and academic achievement. Creating awareness on the burnout of dental students from the preclinical period may be useful for prevention and more compatible dental education environment.

Why Didn't They Have This When?

ERIC Educational Resources Information Center

Sundin, Marvel K.

1975-01-01

Article described the Executive High School Internship Program, an educational developmental experience which permits the qualified high school student to enter full time the top management level of the world of work in a very real rather than theoretical way. (Author/RK)

Insufficient Humidification of Respiratory Gases in Patients Who Are Undergoing Therapeutic Hypothermia at a Paediatric and Adult Intensive Care Unit.

PubMed

Tanaka, Yukari; Iwata, Sachiko; Kinoshita, Masahiro; Tsuda, Kennosuke; Tanaka, Shoichiro; Hara, Naoko; Shindou, Ryota; Harada, Eimei; Kijima, Ryouji; Yamaga, Osamu; Ohkuma, Hitoe; Ushijima, Kazuo; Sakamoto, Teruo; Yamashita, Yushiro; Iwata, Osuke

2017-01-01

For cooled newborn infants, humidifier settings for normothermic condition provide excessive gas humidity because absolute humidity at saturation is temperature-dependent. To assess humidification of respiratory gases in patients who underwent moderate therapeutic hypothermia at a paediatric/adult intensive care unit, 6 patients were studied over 9 times. Three humidifier settings, 37-default (chamber-outlet, 37°C; Y-piece, 40°C), 33.5-theoretical (chamber-outlet, 33.5°C; Y-piece, 36.5°C), and 33.5-adjusted (optimised setting to achieve saturated vapour at 33.5°C using feedback from a thermohygrometer), were tested. Y-piece gas temperature/humidity and the incidence of high (>40.6 mg/L) and low (<32.9 mg/L) humidity relative to the target level (36.6 mg/L) were assessed. Y-piece gas humidity was 32.0 (26.8-37.3), 22.7 (16.9-28.6), and 36.9 (35.5-38.3) mg/L {mean (95% confidence interval)} for 37-default setting, 33.5-theoretical setting, and 33.5-adjusted setting, respectively. High humidity was observed in 1 patient with 37-default setting, whereas low humidity was seen in 5 patients with 37-default setting and 8 patients with 33.5-theoretical setting. With 33.5-adjusted setting, inadequate Y-piece humidity was not observed. Potential risks of the default humidifier setting for insufficient respiratory gas humidification were highlighted in patients cooled at a paediatric/adult intensive care unit. Y-piece gas conditions can be controlled to the theoretically optimal level by adjusting the setting guided by Y-piece gas temperature/humidity.

Insufficient Humidification of Respiratory Gases in Patients Who Are Undergoing Therapeutic Hypothermia at a Paediatric and Adult Intensive Care Unit

PubMed Central

Tanaka, Yukari; Iwata, Sachiko; Kinoshita, Masahiro; Tsuda, Kennosuke; Tanaka, Shoichiro; Hara, Naoko; Shindou, Ryota; Harada, Eimei; Kijima, Ryouji; Yamaga, Osamu; Ohkuma, Hitoe; Ushijima, Kazuo; Sakamoto, Teruo; Yamashita, Yushiro

2017-01-01

For cooled newborn infants, humidifier settings for normothermic condition provide excessive gas humidity because absolute humidity at saturation is temperature-dependent. To assess humidification of respiratory gases in patients who underwent moderate therapeutic hypothermia at a paediatric/adult intensive care unit, 6 patients were studied over 9 times. Three humidifier settings, 37-default (chamber-outlet, 37°C; Y-piece, 40°C), 33.5-theoretical (chamber-outlet, 33.5°C; Y-piece, 36.5°C), and 33.5-adjusted (optimised setting to achieve saturated vapour at 33.5°C using feedback from a thermohygrometer), were tested. Y-piece gas temperature/humidity and the incidence of high (>40.6 mg/L) and low (<32.9 mg/L) humidity relative to the target level (36.6 mg/L) were assessed. Y-piece gas humidity was 32.0 (26.8–37.3), 22.7 (16.9–28.6), and 36.9 (35.5–38.3) mg/L {mean (95% confidence interval)} for 37-default setting, 33.5-theoretical setting, and 33.5-adjusted setting, respectively. High humidity was observed in 1 patient with 37-default setting, whereas low humidity was seen in 5 patients with 37-default setting and 8 patients with 33.5-theoretical setting. With 33.5-adjusted setting, inadequate Y-piece humidity was not observed. Potential risks of the default humidifier setting for insufficient respiratory gas humidification were highlighted in patients cooled at a paediatric/adult intensive care unit. Y-piece gas conditions can be controlled to the theoretically optimal level by adjusting the setting guided by Y-piece gas temperature/humidity. PMID:28512388

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.

Theoretical investigation of intensity-dependent optical nonlinearity in graphene-aided D-microfiber

NASA Astrophysics Data System (ADS)

Shah, Manoj Kumar; Lu, Rongguo; Zhang, Yali; Ye, Shengwei; Zhang, Shangjian; Liu, Yong

2018-01-01

We theoretically investigate the intensity-dependent optical nonlinearity in graphene-aided D-microfiber, by tuning the chemical potential of graphene and varying radial distance and radii of the D-microfiber. Utilizing an interplay between graphene and the enhanced evanescent field of a guided mode in the waveguide of interest, the net utility of nonlinear coefficient is harnessed up to a very high value of 106 W-1m-1. Importantly, which is ∼ two orders of magnitude larger than in PMMA-graphene-PMMA waveguide. The highly dispersive nature of the waveguide, D ∼ 103 ps/nm-km, and large nonlinear figure-of-merit, FOMNL ∼ 1.29, have raised the possibilities of utilizing slow light structures to operate devices at few watts power level with microscale length. These studies have opened one window towards the next-generation all fiber-optic graphene nonlinear optical devices.

Biological monitoring of 2,4,5-trichlorophenol (I): preparation of antibodies and development of an immunoassay using theoretical models.

PubMed

Nichkova, Mikaela; Galve, Roger; Marco, M-Pilar

2002-11-01

Antibodies against 2,4,5-trichlorophenol have been prepared after theoretical and molecular modeling chemical studies of three potential immunizing haptens with the aim to find out the one mimicking best the target analyte. Competitive direct and indirect ELISAs have been developed after screening a battery of haptenized enzyme tracers and coating antigens, respectively. The relation between the degree of heterology of the competitor and the resulting immunoassay detectability has been investigated according to the electronic similarities of the competitor haptens with the target analyte taking in consideration their pK(a) values. These studies have been performed using theoretical and molecular modeling tools to find out their electronic distribution at their minimum energetic levels. The results suggest that the competitors should have a high homology to produced assays with good detectability values. On the other hand detectability improves when lowering the hapten density of the competitors. An indirect competitive ELISA has been finally selected for further investigation. The immunoassay has an IC(50) value of 0.6 microg L(-)(1) and a limit of detection of 0.084 microg L(-)(1). The selectivity of the assay is high in relation to other chlorophenols frequently present in real samples. In contrast, the brominated analogues may also be recognized with this assay.

The impact of reinforcement contingencies on AD/HD: a review and theoretical appraisal.

PubMed

Luman, Marjolein; Oosterlaan, Jaap; Sergeant, Joseph A

2005-02-01

One of the core deficits in attention deficit/hyperactivity disorder (AD/HD) is thought to be an aberrant sensitivity to reinforcement, such as reward and response cost. Twenty-two studies (N=1181 children) employing AD/HD and reinforcement contingencies are reviewed from vantage points: task performance, motivation, and psychophysiology. Results indicate that reinforcement contingencies have a positive impact on task performance and levels of motivation for both children with AD/HD and normal controls. There is evidence that the effect related to task performance is somewhat more prominent in AD/HD. There is some evidence that a high intensity of reinforcement is highly effective in AD/HD. Children with AD/HD prefer immediate over delayed reward. From a psychophysiological point of view, children with AD/HD seem less sensitive to reinforcement compared to controls. While comorbid disorders are suggested to be confounders of the dependent variables, many studies do not examine the effect of oppositional defiant disorder (ODD) and conduct disorder (CD). We discuss the implications of the findings for five theoretical frameworks, including the model by, the cognitive-energetic model (CEM), the dual-pathway model and the BIS/BAS model. Results show a discrepancy between the theoretical models and the behavioural findings.

Hierarchy of Modes in an Interacting One-Dimensional System

NASA Astrophysics Data System (ADS)

Tsyplyatyev, O.; Schofield, A. J.; Jin, Y.; Moreno, M.; Tan, W. K.; Ford, C. J. B.; Griffiths, J. P.; Farrer, I.; Jones, G. A. C.; Ritchie, D. A.

2015-05-01

Studying interacting fermions in one dimension at high energy, we find a hierarchy in the spectral weights of the excitations theoretically, and we observe evidence for second-level excitations experimentally. Diagonalizing a model of fermions (without spin), we show that levels of the hierarchy are separated by powers of R2/L2, where R is a length scale related to interactions and L is the system length. The first-level (strongest) excitations form a mode with parabolic dispersion, like that of a renormalized single particle. The second-level excitations produce a singular power-law line shape to the first-level mode and multiple power laws at the spectral edge. We measure momentum-resolved tunneling of electrons (fermions with spin) from or to a wire formed within a GaAs heterostructure, which shows parabolic dispersion of the first-level mode and well-resolved spin-charge separation at low energy with appreciable interaction strength. We find structure resembling the second-level excitations, which dies away quite rapidly at high momentum.

Observation of a hierarchy of modes in an interacting one-dimensional system

NASA Astrophysics Data System (ADS)

Ford, Christopher; Moreno, Maria; Jin, Yiqing; Tan, Wooi Kiat; Griffiths, Jon; Farrer, Ian; Jones, Geb; Anthore, Anne; Ritchie, David; Tsyplyatyev, Oleksandr; Schofield, Andrew

2015-03-01

Studying interacting fermions in 1D at high energy, we find a hierarchy in the spectral weights of the excitations theoretically and we observe evidence for second-level excitations experimentally. Diagonalising a model of fermions (without spin), we show that levels of the hierarchy are separated by powers of 2 /L2 , where  is a length-scale related to interactions and L is the system length. The first-level (strongest) excitations form a mode with parabolic dispersion, like that of a renormalised single particle. The second-level excitations produce a singular power-law line shape to the first-level mode and multiple power-laws at the spectral edge. We measure momentum-resolved tunneling of electrons (fermions with spin) from/to a wire formed within a GaAs heterostructure, which shows parabolic dispersion of the first-level mode and well-resolved spin-charge separation at low energy with appreciable interaction strength. We find structure resembling the second-level excitations, which dies away quite rapidly at high momentum.

Role of egg predation by haddock in the decline of an Atlantic herring population

PubMed Central

Richardson, David E.; Hare, Jonathan A.; Fogarty, Michael J.; Link, Jason S.

2011-01-01

Theoretical studies suggest that the abrupt and substantial changes in the productivity of some fisheries species may be explained by predation-driven alternate stable states in their population levels. With this hypothesis, an increase in fishing or a natural perturbation can drive a population from an upper to a lower stable-equilibrium population level. After fishing is reduced or the perturbation ended, this low population level can persist due to the regulatory effect of the predator. Although established in theoretical studies, there is limited empirical support for predation-driven alternate stable states in exploited marine fish populations. We present evidence that egg predation by haddock (Melanogrammus aeglefinus) can cause alternate stable population levels in Georges Bank Atlantic herring (Clupea harengus). Egg predation by haddock explains a substantial decoupling of herring spawning stock biomass (an index of egg production) from observed larval herring abundance (an index of egg hatching). Estimated egg survival rates ranged from <2–70% from 1971 to 2005. A population model incorporating egg predation and herring fishing explains the major population trends of Georges Bank herring over four decades and predicts that, when the haddock population is high, seemingly conservative levels of fishing can still precipitate a severe decline in the herring population. These findings illustrate how efforts to rebuild fisheries can be undermined by not incorporating ecological interactions into fisheries models and management plans. PMID:21825166

Ultrafast Spectroscopic Studies of Two-Photon States in Third Order Optical Processes of Dye Chromophores.

NASA Astrophysics Data System (ADS)

Yu, Yi-Zhong

1995-01-01

Conjugated organic and polymeric materials usually have large, nonresonant third order optical nonlinearity due to correlations of their delocalized pi -electrons. Most materials studied so far show positive values of third order nonlinear susceptibility when all frequencies that generate the third order effect are below any optical transition. A new class of organic molecules, namely indole squarylium (ISQ) and anilinium squarylium (BSQ), exhibit negative < gamma(-omega_4;omega_1, omega_2,omega_3)> when all three frequencies, omega_1, omega_2 and omega_3, lie below the first electronic transition. Although quantum many-electron calculations based on multiple-excitation configuration interaction have shown that the negative third order coefficient is essentially due to the contribution from high-lying two-photon states, the field of experimental studies exploring the microscopic origins of the negative squaraines remains uncultivated. The work presented in this thesis involves extensive experimental investigation of squaraines using techniques such as time-resolved transit absorption spectroscopy and saturable absorption. Theoretical simulations studying nonlinear absorption behavior of a simplified two-level system with ultrashort pulses are also presented. Part of the thesis is dedicated to the development, fabrication and characterization of our ultrafast laser system which offers tunable femtosecond pulses at wavelengths from UV to IR and served as a major tool in the experimental measurements. The dynamics of the population inversion between the ground state and the first excited state was also investigated through time-resolved experiments. The experiment results agree well with the theoretical predictions. Strong couplings between the gateway state and high-lying two-photon states were observed in BSQ squarylium molecules, which suggested a complete quantum calculation with multiple energy levels is required to correctly describe the negative third order effect.

Flying high: a theoretical analysis of the factors limiting exercise performance in birds at altitude.

PubMed

Scott, Graham R; Milsom, William K

2006-11-01

The ability of some bird species to fly at extreme altitude has fascinated comparative respiratory physiologists for decades, yet there is still no consensus about what adaptations enable high altitude flight. Using a theoretical model of O(2) transport, we performed a sensitivity analysis of the factors that might limit exercise performance in birds. We found that the influence of individual physiological traits on oxygen consumption (Vo2) during exercise differed between sea level, moderate altitude, and extreme altitude. At extreme altitude, haemoglobin (Hb) O(2) affinity, total ventilation, and tissue diffusion capacity for O(2) (D(To2)) had the greatest influences on Vo2; increasing these variables should therefore have the greatest adaptive benefit for high altitude flight. There was a beneficial interaction between D(To2) and the P(50) of Hb, such that increasing D(To2) had a greater influence on Vo2 when P(50) was low. Increases in the temperature effect on P(50) could also be beneficial for high flying birds, provided that cold inspired air at extreme altitude causes a substantial difference in temperature between blood in the lungs and in the tissues. Changes in lung diffusion capacity for O(2), cardiac output, blood Hb concentration, the Bohr coefficient, or the Hill coefficient likely have less adaptive significance at high altitude. Our sensitivity analysis provides theoretical suggestions of the adaptations most likely to promote high altitude flight in birds and provides direction for future in vivo studies.

Elucidation of the opening of the epoxidic ring of the 3beta-acetoxy-14alpha,15alpha-epoxy-5alpha-cholest-8-en-7-one by methanol, using NMR techniques assisted by a conformational study through theoretical calculations.

PubMed

Anastasia, Mario; Allevi, Pietro; Colombo, Raffaele; Giannini, Elios

2007-10-01

This paper demonstrates that the crystallization of 3beta-acetoxy-14alpha,15alpha-epoxy-5alpha-cholest-8-en-7-one from methanol affords the 3beta-acetoxy-9alpha-methoxy-15alpha-hydroxycholest-8(14)-en-7-one. The structure of this steroid, which shows an apparently anomalous UV absorption maximum, is determined by high field NMR experiments, supporting the coupling constant values assignments and the NOE contacts by a conformational study through theoretical calculations at the B3LYP/6-31G* level. The computational study also justifies the observed UV absorption of the steroid, thus demonstrating the usefulness of computer chemistry in providing support for the identification of unknown compounds.

Agents of support: psychometric properties of the Cancer Perceived Agents of Social Support (CPASS) questionnaire.

PubMed

Goldzweig, Gil; Hasson-Ohayon, Ilanit; Meirovitz, Amichay; Braun, Michal; Hubert, Ayala; Baider, Lea

2010-11-01

The current study presents the development and the evaluation of the psychometric properties of the Cancer Perceived Agents of Social Support (CPASS). The CPASS is a new self-rating instrument devised in order to enable both cancer patients and their spouses to report on the level of perceived social support they get. The CPASS evaluates the support given by different agents of support (spouse, family, friends and spiritual or religious beliefs) in several dimensions (emotional, cognitive and instrumental). The study sample comprised 662 cancer patients and their spouses recruited during a routine medical evaluation from three major cancer centers in Israel. The participants completed the CPASS and two other standardized instruments: The ENRICH Marital Satisfaction Scale (EMS) and the Brief Symptom Inventory (BSI). Principal component analysis confirmed a three-factor structure based upon the agent of support (spouse; friends/family; spiritual/religious beliefs). Cronbach's α coefficients for the agent of support indexes were high (0.80-0.95), while Cronbach's α levels for the kind of support were lower (0.45-0.72). Smallest Space Analysis (SSA) also confirmed the theoretical structure of the CPASS. Pearson correlation coefficients to the other study variables were high and significant. As a whole, the CPASS was found to be a valid tool for the current Israeli sample. Theoretical and practical conclusions and socio-cultural implications are discussed. Copyright © 2009 John Wiley & Sons, Ltd.

Using high-level construal and perceptions of changeability to promote self-change over self-protection motives in response to negative feedback.

PubMed

Belding, Jennifer N; Naufel, Karen Z; Fujita, Kentaro

2015-06-01

Diagnostic negative information presents people with a motivational dilemma. Although negative feedback can provide useful information with which to guide future self-improvement efforts, it also presents short-term affective costs. We propose that construal level, jointly with the perceived changeability of the feedback domain, determines whether people choose to accept or dismiss such information. Whereas low-level construal promotes short-term self-protection motivation (promoting dismissal), high-level construal promotes long-term self-change motivation (promoting acceptance)--to the extent that change is perceived as possible. Four studies support this hypothesis and examine underlying cognitive and motivational mechanisms. The present work may provide an integrative theoretical framework for understanding when people will be open to and accept negative diagnostic information, and has important practical implications for promoting self-change efforts. © 2015 by the Society for Personality and Social Psychology, Inc.

Correlates of androgens in wild male Barbary macaques: Testing the challenge hypothesis.

PubMed

Rincon, Alan V; Maréchal, Laëtitia; Semple, Stuart; Majolo, Bonaventura; MacLarnon, Ann

2017-10-01

Investigating causes and consequences of variation in hormonal expression is a key focus in behavioral ecology. Many studies have explored patterns of secretion of the androgen testosterone in male vertebrates, using the challenge hypothesis (Wingfield, Hegner, Dufty, & Ball, 1990; The American Naturalist, 136(6), 829-846) as a theoretical framework. Rather than the classic association of testosterone with male sexual behavior, this hypothesis predicts that high levels of testosterone are associated with male-male reproductive competition but also inhibit paternal care. The hypothesis was originally developed for birds, and subsequently tested in other vertebrate taxa, including primates. Such studies have explored the link between testosterone and reproductive aggression as well as other measures of mating competition, or between testosterone and aspects of male behavior related to the presence of infants. Very few studies have simultaneously investigated the links between testosterone and male aggression, other aspects of mating competition and infant-related behavior. We tested predictions derived from the challenge hypothesis in wild male Barbary macaques (Macaca sylvanus), a species with marked breeding seasonality and high levels of male-infant affiliation, providing a powerful test of this theoretical framework. Over 11 months, 251 hr of behavioral observations and 296 fecal samples were collected from seven adult males in the Middle Atlas Mountains, Morocco. Fecal androgen levels rose before the onset of the mating season, during a period of rank instability, and were positively related to group mating activity across the mating season. Androgen levels were unrelated to rates of male-male aggression in any period, but higher ranked males had higher levels in both the mating season and in the period of rank instability. Lower androgen levels were associated with increased rates of male-infant grooming during the mating and unstable periods. Our results generally support the challenge hypothesis and highlight the importance of considering individual species' behavioral ecology when testing this framework. © 2017 Wiley Periodicals, Inc.

Ordering of the O-O stretching vibrational frequencies in ozone

NASA Technical Reports Server (NTRS)

Scuseria, Gustavo E.; Lee, Timothy J.; Scheiner, Andrew C.; Schaefer, Henry F., III

1989-01-01

The ordering of nu1 and nu3 for O3 is incorrectly predicted by most theoretical methods, including some very high level methods. The first systematic electron correlation method based on one-reference configuration to solve this problem is the coupled cluster single and double excitation method. However, a relatively large basis set, triple zeta plus double polarization is required. Comparison with other theoretical methods is made.

A first order theory of the p/+/-n-n/+/ edge-illuminated silicon solar cell at very high injection levels

NASA Technical Reports Server (NTRS)

Goradia, C.; Sater, B. L.

1977-01-01

A first order theory of the edge-illuminated p(+)-n-n(+) silicon solar cell under very high injection levels has been derived. The very high injection level illuminated J-V characteristic is derived for any general base width to diffusion length (W/L) ratio and it includes the minority carrier reflection by the n-n(+) high-low junction. The beneficial effects of the high-low junction are shown to be significant until extremely high injection levels are reached. The theoretical dependencies of Jsc and Voc on temperature, incident intensity, and base resistivity are derived and discussed in detail. Some experimental results are given and these are discussed in relation to the theory.

Theoretical results on the tandem junction solar cell based on its Ebers-Moll transistor model

NASA Technical Reports Server (NTRS)

Goradia, C.; Vaughn, J.; Baraona, C. R.

1980-01-01

A one-dimensional theoretical model of the tandem junction solar cell (TJC) with base resistivity greater than about 1 ohm-cm and under low level injection has been derived. This model extends a previously published conceptual model which treats the TJC as an npn transistor. The model gives theoretical expressions for each of the Ebers-Moll type currents of the illuminated TJC and allows for the calculation of the spectral response, I(sc), V(oc), FF and eta under variation of one or more of the geometrical and material parameters and 1MeV electron fluence. Results of computer calculations based on this model are presented and discussed. These results indicate that for space applications, both a high beginning of life efficiency, greater than 15% AM0, and a high radiation tolerance can be achieved only with thin (less than 50 microns) TJC's with high base resistivity (greater than 10 ohm-cm).

High-Level Binocular Rivalry Effects

PubMed Central

Wolf, Michal; Hochstein, Shaul

2011-01-01

Binocular rivalry (BR) occurs when the brain cannot fuse percepts from the two eyes because they are different. We review results relating to an ongoing controversy regarding the cortical site of the BR mechanism. Some BR qualities suggest it is low-level: (1) BR, as its name implies, is usually between eyes and only low-levels have access to utrocular information. (2) All input to one eye is suppressed: blurring doesn’t stimulate accommodation; pupilary constrictions are reduced; probe detection is reduced. (3) Rivalry is affected by low-level attributes, contrast, spatial frequency, brightness, motion. (4) There is limited priming due to suppressed words or pictures. On the other hand, recent studies favor a high-level mechanism: (1) Rivalry occurs between patterns, not eyes, as in patchwork rivalry or a swapping paradigm. (2) Attention affects alternations. (3) Context affects dominance. There is conflicting evidence from physiological studies (single cell and fMRI) regarding cortical level(s) of conscious perception. We discuss the possibility of multiple BR sites and theoretical considerations that rule out this solution. We present new data regarding the locus of the BR switch by manipulating stimulus semantic content or high-level characteristics. Since these variations are represented at higher cortical levels, their affecting rivalry supports high-level BR intervention. In Experiment I, we measure rivalry when one eye views words and the other non-words and find significantly longer dominance durations for non-words. In Experiment II, we find longer dominance times for line drawings of simple, structurally impossible figures than for similar, possible objects. In Experiment III, we test the influence of idiomatic context on rivalry between words. Results show that generally words within their idiomatic context have longer mean dominance durations. We conclude that BR has high-level cortical influences, and may be controlled by a high-level mechanism. PMID:22144953

Structure and electronic properties of azadirachtin.

PubMed

de Castro, Elton A S; de Oliveira, Daniel A B; Farias, Sergio A S; Gargano, Ricardo; Martins, João B L

2014-02-01

We performed a combined DFT and Monte Carlo (13)C NMR chemical-shift study of azadirachtin A, a triterpenoid that acts as a natural insect antifeedant. A conformational search using a Monte Carlo technique based on the RM1 semiempirical method was carried out in order to establish its preferred structure. The B3LYP/6-311++G(d,p), wB97XD/6-311++G(d,p), M06/6-311++G(d,p), M06-2X/6-311++G(d,p), and CAM-B3LYP/6-311++G(d,p) levels of theory were used to predict NMR chemical shifts. A Monte Carlo population-weighted average spectrum was produced based on the predicted Boltzmann contributions. In general, good agreement between experimental and theoretical data was obtained using both methods, and the (13)C NMR chemical shifts were predicted highly accurately. The geometry was optimized at the semiempirical level and used to calculate the NMR chemical shifts at the DFT level, and these shifts showed only minor deviations from those obtained following structural optimization at the DFT level, and incurred a much lower computational cost. The theoretical ultraviolet spectrum showed a maximum absorption peak that was mainly contributed by the tiglate group.

Securing support for eye health policy in low- and middle-income countries: identifying stakeholders through a multi-level analysis.

PubMed

Morone, Piergiuseppe; Camacho Cuena, Eva; Kocur, Ivo; Banatvala, Nicholas

2014-05-01

This article empirically evaluates advocacy in low- and middle-income countries as a key tool for raising policy priority and securing high-level decision maker support in eye health. We used a unique data set based on a survey conducted by World Health Organization in 2011 on eye care and prevention of blindness in 82 low- and middle-income countries. The theoretical framework derives from the idea that a plethora of stakeholders at local and global level pressure national governments, acting in economic and the political spheres. Previously, eye care has not been investigated in such a framework. We found structural differences across countries with different income levels and proposed policy recommendations to secure high-level decision makers' support for promoting eye health. Three case studies suggest that, in order to secure more support and resources for eye health, domestic and international stakeholders must strengthen their engagement with ministries of health at political and above all economic levels.

Caregiver social support quality when interacting with cancer survivors: advancing the dual-process model of supportive communication.

PubMed

Harvey-Knowles, Jacquelyn; Faw, Meara H

2018-04-01

Cancer caregivers often experience significant challenges in their motivation and ability to comfort cancer survivors, particularly in a spousal or romantic context. Spousal cancer caregivers have been known to report even greater levels of burden and distress than cancer sufferers, yet still take on the role of acting as an informal caregiver so they can attend to their partner's needs. The current study tested whether a theoretical model of supportive outcomes-the dual-process model of supportive communication-explained variations in cancer caregivers' motivation and ability to create high-quality support messages. The study also tested whether participant engagement with reflective journaling on supportive acts was associated with increased motivation or ability to generate high-quality support messages. Based upon the dual-process model, we posited that, following supportive journaling tasks, caregivers of spouses currently managing a cancer experience would report greater motivation but also greater difficulty in generating high-quality support messages, while individuals caring for a patient in remission would report lower motivation but greater ability to create high-quality support messages. Findings provided support for these assertions and suggested that reflective journaling tasks might be a useful tool for improving remission caregivers' ability to provide high-quality social support to survivors. Corresponding theoretical and applied implications are discussed.

High Versus Low Theoretical Fidelity Pedometer Intervention Using Social-Cognitive Theory on Steps and Self-Efficacy.

PubMed

Raedeke, Thomas D; Dlugonski, Deirdre

2017-12-01

This study was designed to compare a low versus high theoretical fidelity pedometer intervention applying social-cognitive theory on step counts and self-efficacy. Fifty-six public university employees participated in a 10-week randomized controlled trial with 2 conditions that varied in theoretical fidelity. Participants in the high theoretical fidelity condition wore a pedometer and participated in a weekly group walk followed by a meeting to discuss cognitive-behavioral strategies targeting self-efficacy. Participants in the low theoretical fidelity condition met for a group walk and also used a pedometer as a motivational tool and to monitor steps. Step counts were assessed throughout the 10-week intervention and after a no-treatment follow-up (20 weeks and 30 weeks). Self-efficacy was measured preintervention and postintervention. Participants in the high theoretical fidelity condition increased daily steps by 2,283 from preintervention to postintervention, whereas participants in the low fidelity condition demonstrated minimal change during the same time period (p = .002). Individuals attending at least 80% of the sessions in the high theoretical fidelity condition showed an increase of 3,217 daily steps (d = 1.03), whereas low attenders increased by 925 (d = 0.40). Attendance had minimal impact in the low theoretical fidelity condition. Follow-up data revealed that step counts were at least somewhat maintained. For self-efficacy, participants in the high, compared with those in the low, theoretical fidelity condition showed greater improvements. Findings highlight the importance of basing activity promotion efforts on theory. The high theoretical fidelity intervention that included cognitive-behavioral strategies targeting self-efficacy was more effective than the low theoretical fidelity intervention, especially for those with high attendance.

Testing Bernoulli's Law

ERIC Educational Resources Information Center

Ivanov, Dragia; Nikolov, Stefan; Petrova, Hristina

2014-01-01

In this paper we present three different methods for testing Bernoulli's law that are different from the standard "tube with varying cross-section." They are all applicable to high-school level physics education, with varying levels of theoretical and experimental complexity, depending on students' skills, and may even be…

Error analysis of high-rate GNSS precise point positioning for seismic wave measurement

NASA Astrophysics Data System (ADS)

Shu, Yuanming; Shi, Yun; Xu, Peiliang; Niu, Xiaoji; Liu, Jingnan

2017-06-01

High-rate GNSS precise point positioning (PPP) has been playing a more and more important role in providing precise positioning information in fast time-varying environments. Although kinematic PPP is commonly known to have a precision of a few centimeters, the precision of high-rate PPP within a short period of time has been reported recently with experiments to reach a few millimeters in the horizontal components and sub-centimeters in the vertical component to measure seismic motion, which is several times better than the conventional kinematic PPP practice. To fully understand the mechanism of mystified excellent performance of high-rate PPP within a short period of time, we have carried out a theoretical error analysis of PPP and conducted the corresponding simulations within a short period of time. The theoretical analysis has clearly indicated that the high-rate PPP errors consist of two types: the residual systematic errors at the starting epoch, which affect high-rate PPP through the change of satellite geometry, and the time-varying systematic errors between the starting epoch and the current epoch. Both the theoretical error analysis and simulated results are fully consistent with and thus have unambiguously confirmed the reported high precision of high-rate PPP, which has been further affirmed here by the real data experiments, indicating that high-rate PPP can indeed achieve the millimeter level of precision in the horizontal components and the sub-centimeter level of precision in the vertical component to measure motion within a short period of time. The simulation results have clearly shown that the random noise of carrier phases and higher order ionospheric errors are two major factors to affect the precision of high-rate PPP within a short period of time. The experiments with real data have also indicated that the precision of PPP solutions can degrade to the cm level in both the horizontal and vertical components, if the geometry of satellites is rather poor with a large DOP value.

New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range.

PubMed

Tyuterev, Vladimir G; Kochanov, Roman V; Tashkun, Sergey A; Holka, Filip; Szalay, Péter G

2013-10-07

An accurate description of the complicated shape of the potential energy surface (PES) and that of the highly excited vibration states is of crucial importance for various unsolved issues in the spectroscopy and dynamics of ozone and remains a challenge for the theory. In this work a new analytical representation is proposed for the PES of the ground electronic state of the ozone molecule in the range covering the main potential well and the transition state towards the dissociation. This model accounts for particular features specific to the ozone PES for large variations of nuclear displacements along the minimum energy path. The impact of the shape of the PES near the transition state (existence of the "reef structure") on vibration energy levels was studied for the first time. The major purpose of this work was to provide accurate theoretical predictions for ozone vibrational band centres at the energy range near the dissociation threshold, which would be helpful for understanding the very complicated high-resolution spectra and its analyses currently in progress. Extended ab initio electronic structure calculations were carried out enabling the determination of the parameters of a minimum energy path PES model resulting in a new set of theoretical vibrational levels of ozone. A comparison with recent high-resolution spectroscopic data on the vibrational levels gives the root-mean-square deviations below 1 cm(-1) for ozone band centres up to 90% of the dissociation energy. New ab initio vibrational predictions represent a significant improvement with respect to all previously available calculations.

On the interplay between academic achievement and educational identity: a longitudinal study.

PubMed

Pop, Eleonora Ioana; Negru-Subtirica, Oana; Crocetti, Elisabetta; Opre, Adrian; Meeus, Wim

2016-02-01

The present three-wave longitudinal study provides empirical evidence for the mechanisms of the bright and dark sides of identity development in the academic context. First, we investigated the patterns of stability and change in educational identity and academic achievement among adolescents. Second, we examined the reciprocal associations between identity processes (i.e., commitment, in-depth exploration, and reconsideration of commitment) and academic achievement. The main results of the study highlighted that academic achievement predicts the manner in which adolescents deal with their identity issues in the academic context. Thus, high academic achievement leads to high levels of commitment (identity synthesis), while low academic achievement leads to high levels of reconsideration of commitment (identity confusion). This unidirectional pattern of effects applied equally to adolescent boys and girls, early-to-middle and middle-to-late adolescents, and to adolescents attending theoretical and vocational schools. Practical implications are discussed. Copyright © 2015 The Foundation for Professionals in Services for Adolescents. Published by Elsevier Ltd. All rights reserved.

Cyberbullying Victimization, Self-Esteem and Suicidal Ideation in Adolescence: Does Emotional Intelligence Play a Buffering Role?

PubMed

Extremera, Natalio; Quintana-Orts, Cirenia; Mérida-López, Sergio; Rey, Lourdes

2018-01-01

Cyberbullying has been linked to social, physical and psychological problems for adolescent victims but there has been no analysis of the specific role of emotional intelligence in protecting against the negative symptoms associated with cyberbullying victimization. This study examined the interaction between cyberbullying victimization and emotional intelligence (EI) as predictors of psychological maladjustment (operationalized as high suicidal ideation and low self-esteem) in 1,660 Spanish adolescents. We also investigated whether levels of EI moderated the relationship between cyberbullying victimization and mental health problems. The cyberbullying victimization x EI interaction contributed to variance in suicidal ideation and self-esteem in our sample of adolescent victims. Adolescent victims of cyberbullying with high EI scores reported lower suicidal ideation and higher self-esteem than their less emotionally intelligent counterparts. Thus, our data provide empirical support for theoretical and conceptual work connecting victimization, EI abilities and mental health associated with cyberbullying. This suggests that alone, but also in combination, EI may be particularly relevant in leading to increased levels of mental health issues in cyberbullying victims. Finally, the theoretical implications of our findings on the relationship between these variables and the mental health issues of adolescent victims of cyberbullying are discussed.

High level theoretical study of benzene-halide adducts: the importance of C-H-anion hydrogen bonding.

PubMed

Coletti, Cecilia; Re, Nazzareno

2009-02-26

High level ab initio calculations were performed on the interaction of halide anions (F(-), Cl(-), Br(-), and I(-)) to benzene. For these systems recent experimental and theoretical data are rather scarce, in spite of their growingly acknowledged importance for binding in complex biological systems. We have thus explored the complete basis set limit and the effect of counterpoise basis set superposition error corrections on the minimum geometries and energies of benzene-halide adducts in their possible interaction modes. The binding energy and enthalpy values (ranging from -15.3 kcal/mol for fluoride to -6.1 kcal/mol for iodide) show that the hydrogen bonding occurring in these complexes cannot be described as a weak interaction. We have furthermore investigated the topology of the minima and of other selected sections of the potential energy surface, so to gain further insight on the nature of the halide-benzene interaction. In particular, the geometry corresponding to the C(6v) symmetry, although being overall repulsive, has displayed the unprecedented presence of a small flex (a minimum in C(6v) symmetry) with interaction energy close to zero or slightly attractive.

High versus Low Theoretical Fidelity Pedometer Intervention Using Social-Cognitive Theory on Steps and Self-Efficacy

ERIC Educational Resources Information Center

Raedeke, Thomas D.; Dlugonski, Deirdre

2017-01-01

Purpose: This study was designed to compare a low versus high theoretical fidelity pedometer intervention applying social-cognitive theory on step counts and self-efficacy. Method: Fifty-six public university employees participated in a 10-week randomized controlled trial with 2 conditions that varied in theoretical fidelity. Participants in the…

Presence within a mixed reality environment.

PubMed

van Schaik, Paul; Turnbull, Triece; van Wersch, Anna; Drummond, Sarah

2004-10-01

Mixed reality environments represent a new approach to creating technology-mediated experiences. However, there is a lack of empirical research investigating users' actual experience. The aim of the current exploratory, non-experimental study was to establish levels of and identify factors associated with presence, within the framework of Schubert et al.'s model of presence. Using questionnaire and interview methods, the experience of the final performance of the Desert Rain mixed reality environment was investigated. Levels of general and spatial presence were relatively high, but levels of involvement and realness were not. Overall, intrinsic motivation, confidence and intention to re-visit Desert Rain were high. However, age was negatively associated with both spatial presence and confidence to play. Furthermore, various problems in navigating the environment were identified. Results are discussed in terms of Schubert's model and other theoretical perspectives. Implications for system design are presented.

Minimizing performance degradation induced by interfacial recombination in perovskite solar cells through tailoring of the transport layer electronic properties

NASA Astrophysics Data System (ADS)

Xu, Liang; Molaei Imenabadi, Rouzbeh; Vandenberghe, William G.; Hsu, Julia W. P.

2018-03-01

The performance of hybrid organic-inorganic metal halide perovskite solar cells is investigated using one-dimensional drift-diffusion device simulations. We study the effects of interfacial defect density, doping concentration, and electronic level positions of the charge transport layer (CTL). Choosing CTLs with a favorable band alignment, rather than passivating CTL-perovskite interfacial defects, is shown to be beneficial for maintaining high power-conversion efficiency, due to reduced minority carrier density arising from a favorable local electric field profile. Insights from this study provide theoretical guidance on practical selection of CTL materials for achieving high-performance perovskite solar cells.

View of Soviet ionospheric modification research

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

Duncan, L.M.; Showen, R.L.

1990-10-01

We have reviewed and provided a technical assessment of Soviet research of the past five to ten years in ionospheric modification by high-power radio waves. This review includes a comprehensive survey of Soviet published literature, conference proceedings, and direct discussions with the involved Soviet researchers. The current state of the art for Soviet research in this field is evaluated, identifying areas of potential breakthrough discoveries, and discussing implications of this work for emerging technologies and future applications. This assessment is divided into the categories of basic research, advanced research, and applications. Basic research is further subdivided into studies of themore » modified natural geophysical environment, nonlinear plasma physics, and polar geophysical studies. Advanced research topics include the generation of artificial ionization mirrors and high-power oblique propagation effects. A separate comparative assessment of Soviet theoretical work also is included in this analysis. Our evaluation of practical and potential applications of this research discusses the utility of ionospheric modification in creating disturbed radio wave propagation environments, and its role in current and future remote-sensing and telecommunications systems. This technical assessment does not include consideration of ionospheric modification by means other than high-power radio waves. The Soviet effort in ionospheric modification sustains theoretical and experimental research at activity levels considerably greater than that found in comparable programs in the West. Notable strengths of the Soviet program are its breadth of coverage, large numbers of scientific participation, theoretical creativity and insight, and its powerful radio wave transmitting facilities.« less

Emotional reactions to crime across cultures.

PubMed

Matsumoto, David; Hwang, Hyisung C

2015-10-01

Information about the emotions experienced by observers when they witness crimes would have important theoretical and practical implications, but to date no study has broadly assessed such emotional reactions. This study addressed this gap in the literature. Observers in seven countries viewed seven videos portraying actual crimes and rated their emotional reactions to each using 14 emotion scales. Observers reported significantly high levels of negative emotions including anger, contempt, disgust, fear and sadness-related emotions, and anger, contempt and disgust were the most salient emotions experienced by viewers across all countries. Witnesses also reported significantly high levels of positive emotions as well (compared to not feeling the emotion at all), which was unexpected. Country moderated the emotion ratings; post-hoc analyses indicated that masculine-oriented cultures reported less nervousness, surprise, excitement, fear and embarrassment than feminine cultures. © 2014 International Union of Psychological Science.

Can a theoretical framework help to embed alcohol screening and brief interventions in an endoscopy day-unit?

PubMed

O'Neill, G; Masson, S; Bewick, L; Doyle, J; McGovern, R; Stoker, E; Wright, H; Newbury-Birch, D

2016-01-01

The National Institute for Health Care and Excellence recommend that alcohol screening and brief intervention (ASBI) should be routinely implemented in secondary care. This study used theoretical frameworks to understand how health professionals can be supported to adapt their behaviour and clinical practice. Staff training and support was conducted using theoretical frameworks. A 12-week study, delivering ASBI was carried out as part of routine practice in an endoscopy day-unit. Anonymised patient data were collected using the Alcohol Use Disorders Identification Tool (AUDIT) and whether patients received a brief intervention. Staff completed the Shortened Alcohol and Alcohol Problems Perceptions Questionnaire at three time points and took part in a focus group both pre and post study. For staff, levels or role adequacy, role legitimacy, motivation to discuss alcohol, security in their role, job satisfaction and commitment to working with patients who drink increased during the time of the study. 1598 individual patients were seen in the department in the timeframe. Of these, 1180 patients were approached (74%); 18% (n=207) of patients were AUDIT positive. This study has shown that it is possible to reach a high number of patients in a busy hospital out-patient department and deliver ASBI by working with staff using theoretical frameworks for training. Embedding evidence-based public health interventions into routine clinical environments is complex. The social system in which professionals operate requires consideration alongside individual professionals' real and perceived barriers and facilitators to change.

The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene

NASA Astrophysics Data System (ADS)

Mackie, Cameron J.; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L.; Buma, Wybren Jan; Lee, Timothy J.; Tielens, Alexander G. G. M.

2016-08-01

The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.

The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2016-08-28

The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.

An Investigation of Sensory Information, Levels of Automation, and Piloting Experience on Unmanned Aircraft Pilot Performance

DTIC Science & Technology

2012-03-01

Development.of. NASA - TLX .(Task.Load.Index):.Results.of.empiri- cal.and.theoretical.research ..In.P .A ..Hancock.&.N .. Meshkati.(Eds .),.Human...8 Automated Manual Level of Automation Hi gh Z oo m M an ip ul at io n Pilot Non-pilot Figure 4. Number of participants with high levels of zoom

Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride–π Interactions in Solution

PubMed Central

Bauzá, Antonio; Quiñonero, David; Frontera, Antonio; Ballester, Pablo

2015-01-01

In this manuscript we consider from a theoretical point of view the recently reported experimental quantification of anion–π interactions (the attractive force between electron deficient aromatic rings and anions) in solution using aryl extended calix[4]pyrrole receptors as model systems. Experimentally, two series of calix[4]pyrrole receptors functionalized, respectively, with two and four aryl rings at the meso positions, were used to assess the strength of chloride–π interactions in acetonitrile solution. As a result of these studies the contribution of each individual chloride–π interaction was quantified to be very small (<1 kcal/mol). This result is in contrast with the values derived from most theoretical calculations. Herein we report a theoretical study using high-level density functional theory (DFT) calculations that provides a plausible explanation for the observed disagreement between theory and experiment. The study reveals the existence of molecular interactions between solvent molecules and the aromatic walls of the receptors that strongly modulate the chloride–π interaction. In addition, the obtained theoretical results also suggest that the chloride-calix[4]pyrrole complex used as reference to dissect experimentally the contribution of the chloride–π interactions to the total binding energy for both the two and four-wall aryl-extended calix[4]pyrrole model systems is probably not ideal. PMID:25913375

The prevalence and consequences of burnout on a group of preclinical dental students

PubMed Central

Atalayin, Cigdem; Balkis, Murat; Tezel, Huseyin; Onal, Banu; Kayrak, Gul

2015-01-01

Objective: The aim of this study is to investigate the prevalence of burnout among a group of Turkish preclinical dental students, to compare the level of burnout and to determine the consequences in structural equation model. Materials and Methods: Preclinical dental students (n = 329, 50.5% of females and 49.5% of males) aged between 18 and 24 took part in the study. Maslach burnout inventory student version, academic satisfaction scale, and personal information sheet were used to gather data. Pearson correlation analyses, t-test, and one-way ANOVA were used for statistical analysis. The proposed theoretical model was tested via observed variable path analysis using maximum likelihood parameter estimation with AMOS 7.0. Results: About 22.3% of students had high level of emotional exhaustion, 16.7% of students had high level of cynicism, and 17.9% of students suffered from high level of reduced academic efficacy. While the students attending the first grade reported higher level of reduced academic efficacy, the students in the third grade reported higher level of emotional exhaustion. Academic workload played an important role in the development of burnout. As consequences of burnout, students with high levels of burnout intended to change their current major and did not to plan to continue to postgraduate education. Students with high level of burnout reported less level of academic satisfaction and academic achievement. Conclusions: Creating awareness on the burnout of dental students from the preclinical period may be useful for prevention and more compatible dental education environment. PMID:26430363

Modeling the effects of multicontextual physics instruction on learner expectations and understanding of force and motion systems

NASA Astrophysics Data System (ADS)

Deese Becht, Sara-Maria Francis

1999-11-01

The purpose of this study is two-fold involving both practical and theoretical modeling components. The practical component, an experiential-learning phase, investigated a study population for effects that increasing levels of multicontextual physics activities have on student understanding of Newtonian systems of motion. This contextual-learning model measured learner convictions and non-response gaps and analyzed learner response trends on context, technology, challenge, growth, and success. The theoretical component, a model-building phase, designed a dynamic-knowing model for learning along a range of experiential tasks, from low to high context, monitored for indicators of learning in science and mathematics: learner academic performance and ability, learner control and academic attitude, and a learner non- response gap. This knowing model characterized a learner's process-of-knowing on a less to more expert- like learner-response continuum using performance and perspective indices associated with level of contextual- imagery referent system. Data for the contextual-learning model were collected on 180 secondary subjects: 72 middle and 108 high, with 36 physics subjects as local experts. Subjects were randomly assigned to one of three experimental groups differing only on context level of force and motion activities. Three levels of information were presented through context-based tasks: momentum constancy as inertia, momentum change as impulse, and momentum rate of change as force. The statistical analysis used a multi-level factorial design with repeated measures and discriminate analysis of response-conviction items. Subject grouping criteria included school level, ability level in science and mathematics, gender and race. Assessment criteria used pre/post performance scores, confidence level in physics concepts held, and attitude towards science, mathematics, and technology. Learner indices were computed from logit- transforms applied to learner outcomes and to study control and prediction criteria parameters. Findings suggest learner success rates vary with multicontextual experience level. When controlling for context, learner success seems to depend on technology level of assessment tool, learner attitude toward technology learning tools, learner attitude toward science and mathematics, and challenge level of force and motion problems. A learner non-response gap seems important when monitoring learner conviction. Application of the knowing model to the study population pictures learners on a journey towards success referenced to a local expert response.

Can Facebook informational use foster adolescent civic engagement?

PubMed

Lenzi, Michela; Vieno, Alessio; Altoè, Gianmarco; Scacchi, Luca; Perkins, Douglas D; Zukauskiene, Rita; Santinello, Massimo

2015-06-01

The findings on the association between Social Networking Sites and civic engagement are mixed. The present study aims to evaluate a theoretical model linking the informational use of Internet-based social media (specifically, Facebook) with civic competencies and intentions for future civic engagement, taking into account the mediating role of civic discussions with family and friends and sharing the news online. Participants were 114 Italian high school students aged 14-17 years (57 % boys). Path analysis was used to evaluate the proposed theoretical model. Results showed that Facebook informational use was associated with higher levels of adolescent perceived competence for civic action, both directly and through the mediation of civic discussion with parents and friends (offline). Higher levels of civic competencies, then, were associated with a stronger intention to participate in the civic domain in the future. Our findings suggest that Facebook may provide adolescents with additional tools through which they can learn civic activities or develop the skills necessary to participate in the future.

Probing microhydration effect on the electronic structure of the GFP chromophore anion. Photoelectron spectroscopy and theoretical investigations

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

Bhaskaran-Nair, Kiran; Valiev, Marat; Deng, Shihu

2015-12-14

The photophysics of Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI⁻), an analog of GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis ofmore » experimental photoelectron spectra by high level ab-initio methods we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.« less

Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations

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

Bhaskaran-Nair, Kiran; Shelton, William A.; Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803

2015-12-14

The photophysics of the Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI{sup −}), an analog of the GFP chromophore. Through selective generation of microsolvated structures of predetermined size andmore » subsequent analysis of experimental photoelectron spectra by high level ab initio methods, we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.« less

Theoretical branching ratios for the 5I7 to 5I7 levels of Ho(3+) in the garnets A3B2C3O12 (A = Y,La,Lu,Gd; B = Al,Lu,Sc,Ga; C = Al,Ga)

NASA Technical Reports Server (NTRS)

Filer, Elizabeth D.; Morrison, Clyde A.; Turner, Gregory A.; Barnes, Norman P.

1991-01-01

Results are reported from an experimental study investigating triply ionized holmium in 10 garnets using the point-change model to predict theoretical energy levels and temperature-dependent branching ratios for the 5I7 to 5I8 manifolds for temperatures between 50 and 400 K. Plots were made for the largest lines at 300 K. YScAG was plotted twice, once for each set of X-ray data available. Energy levels are predicted based on theoretical crystal-field parameters, and good agreement to experiment is found. It is suggested that the present set of theoretical crystal-field parameters provides good estimates of the energy levels for the other hosts on which there are no experimental optical data. X-ray and index-of-refraction data are used to evaluate the performance of 10 lasers via a quantum mechanical model to predict the position of the energy levels and the temperature-dependent branching rations of the 5I7 to 5I8 levels of holmium. The fractional population inversion required for threshold is also evaluated.

Target-in-the-loop high-power adaptive phase-locked fiber laser array using single-frequency dithering technique

NASA Astrophysics Data System (ADS)

Tao, R.; Ma, Y.; Si, L.; Dong, X.; Zhou, P.; Liu, Z.

2011-11-01

We present a theoretical and experimental study of a target-in-the-loop (TIL) high-power adaptive phase-locked fiber laser array. The system configuration of the TIL adaptive phase-locked fiber laser array is introduced, and the fundamental theory for TIL based on the single-dithering technique is deduced for the first time. Two 10-W-level high-power fiber amplifiers are set up and adaptive phase locking of the two fiber amplifiers is accomplished successfully by implementing a single-dithering algorithm on a signal processor. The experimental results demonstrate that the optical phase noise for each beam channel can be effectively compensated by the TIL adaptive optics system under high-power applications and the fringe contrast on a remotely located extended target is advanced from 12% to 74% for the two 10-W-level fiber amplifiers.

Dual-energy X-ray absorptiometry: analysis of pediatric fat estimate errors due to tissue hydration effects.

PubMed

Testolin, C G; Gore, R; Rivkin, T; Horlick, M; Arbo, J; Wang, Z; Chiumello, G; Heymsfield, S B

2000-12-01

Dual-energy X-ray absorptiometry (DXA) percent (%) fat estimates may be inaccurate in young children, who typically have high tissue hydration levels. This study was designed to provide a comprehensive analysis of pediatric tissue hydration effects on DXA %fat estimates. Phase 1 was experimental and included three in vitro studies to establish the physical basis of DXA %fat-estimation models. Phase 2 extended phase 1 models and consisted of theoretical calculations to estimate the %fat errors emanating from previously reported pediatric hydration effects. Phase 1 experiments supported the two-compartment DXA soft tissue model and established that pixel ratio of low to high energy (R values) are a predictable function of tissue elemental content. In phase 2, modeling of reference body composition values from birth to age 120 mo revealed that %fat errors will arise if a "constant" adult lean soft tissue R value is applied to the pediatric population; the maximum %fat error, approximately 0.8%, would be present at birth. High tissue hydration, as observed in infants and young children, leads to errors in DXA %fat estimates. The magnitude of these errors based on theoretical calculations is small and may not be of clinical or research significance.

Recreational 3,4-methylenedioxymethamphetamine or 'ecstasy': Current perspective and future research prospects.

PubMed

Parrott, Andrew C; Downey, Luke A; Roberts, Carl A; Montgomery, Cathy; Bruno, Raimondo; Fox, Helen C

2017-08-01

The purpose of this article is to debate current understandings about the psychobiological effects of recreational 3,4-methylenedioxymethamphetamine (MDMA or 'ecstasy'), and recommend theoretically-driven topics for future research. Recent empirical findings, especially those from novel topic areas were reviewed. Potential causes for the high variance often found in group findings were also examined. The first empirical reports into psychobiological and psychiatric aspects from the early 1990s concluded that regular users demonstrated some selective psychobiological deficits, for instance worse declarative memory, or heightened depression. More recent research has covered a far wider range of psychobiological functions, and deficits have emerged in aspects of vision, higher cognitive skill, neurohormonal functioning, and foetal developmental outcomes. However, variance levels are often high, indicating that while some recreational users develop problems, others are less affected. Potential reasons for this high variance are debated. An explanatory model based on multi-factorial causation is then proposed. A number of theoretically driven research topics are suggested, in order to empirically investigate the potential causes for these diverse psychobiological deficits. Future neuroimaging studies should study the practical implications of any serotonergic and/or neurohormonal changes, using a wide range of functional measures.

[Applying situational leadership in emergency nursing].

PubMed

Wehbe, Grasiela; Galvão, Cristina Maria; Galvão, Maria Cristina

2005-01-01

This study aimed to identify the correspondence of opinions between nurses and nursing staff members who work at the emergency unit regarding the leadership style performed by nurses and the style nurses must adopt considering the maturity level of nursing staff members and the care provided at the unit. Situational Leadership was adopted as a theoretical reference framework. In order to achieve these goals, instruments were elaborated and applied to 24 research participants. Results demonstrated that the leadership style nurses most frequently perform was E3 (participating), and that nurses should adopt leadership style E4 (delegating) in view of the nursing staff's level of maturity, suggesting that staff members present a high level of maturity (M4).

Physics of mind: Experimental confirmations of theoretical predictions.

PubMed

Schoeller, Félix; Perlovsky, Leonid; Arseniev, Dmitry

2018-02-02

What is common among Newtonian mechanics, statistical physics, thermodynamics, quantum physics, the theory of relativity, astrophysics and the theory of superstrings? All these areas of physics have in common a methodology, which is discussed in the first few lines of the review. Is a physics of the mind possible? Is it possible to describe how a mind adapts in real time to changes in the physical world through a theory based on a few basic laws? From perception and elementary cognition to emotions and abstract ideas allowing high-level cognition and executive functioning, at nearly all levels of study, the mind shows variability and uncertainties. Is it possible to turn psychology and neuroscience into so-called "hard" sciences? This review discusses several established first principles for the description of mind and their mathematical formulations. A mathematical model of mind is derived from these principles. This model includes mechanisms of instincts, emotions, behavior, cognition, concepts, language, intuitions, and imagination. We clarify fundamental notions such as the opposition between the conscious and the unconscious, the knowledge instinct and aesthetic emotions, as well as humans' universal abilities for symbols and meaning. In particular, the review discusses in length evolutionary and cognitive functions of aesthetic emotions and musical emotions. Several theoretical predictions are derived from the model, some of which have been experimentally confirmed. These empirical results are summarized and we introduce new theoretical developments. Several unsolved theoretical problems are proposed, as well as new experimental challenges for future research. Copyright © 2017. Published by Elsevier B.V.

Theoretical and Experimental Photoelectron Spectroscopy Characterization of the Ground State of Thymine Cation.

PubMed

Majdi, Youssef; Hochlaf, Majdi; Pan, Yi; Lau, Kai-Chung; Poisson, Lionel; Garcia, Gustavo A; Nahon, Laurent; Al-Mogren, Muneerah Mogren; Schwell, Martin

2015-06-11

We report on the vibronic structure of the ground state X̃(2)A″ of the thymine cation, which has been measured using a threshold photoelectron photoion coincidence technique and vacuum ultraviolet synchrotron radiation. The threshold photoelectron spectrum, recorded over ∼0.7 eV above the ionization potential (i.e., covering the whole ground state of the cation) shows rich vibrational structure that has been assigned with the help of calculated anharmonic modes of the ground electronic cation state at the PBE0/aug-cc-pVDZ level of theory. The adiabatic ionization energy has been experimentally determined as AIE = 8.913 ± 0.005 eV, in very good agreement with previous high resolution results. The corresponding theoretical value of AIE = 8.917 eV has been calculated in this work with the explicitly correlated method/basis set (R)CCSD(T)-F12/cc-pVTZ-F12, which validates the theoretical approach and benchmarks its accuracy for future studies of medium-sized biological molecules.

Theoretical evaluation of a continues-wave Ho3+:BaY2F8 laser with mid-infrared emission

NASA Astrophysics Data System (ADS)

Rong, Kepeng; Cai, He; An, Guofei; Han, Juhong; Yu, Hang; Wang, Shunyan; Yu, Qiang; Wu, Peng; Zhang, Wei; Wang, Hongyuan; Wang, You

2018-01-01

In this paper, we build a theoretical model to study a continues-wave (CW) Ho3+:BaY2F8 laser by considering both energy transfer up-conversion (ETU) and cross relaxation (CR) processes. The influences of the pump power, reflectance of an output coupler (OC), and crystal length on the output features are systematically analyzed for an end-pumped configuration, respectively. We also investigate how the processes of ETU and CR in the energy-level system affect the output of a Ho3+:BaY2F8 laser by use of the kinetic evaluation. The simulation results show that the optical-to-optical efficiency can be promoted by adjusting the parameters such as the reflectance of an output coupler, crystal length, and pump power. It has been theoretically demonstrated that the threshold of a Ho3+:BaY2F8 laser is very high for the lasing operation in a CW mode.

Students' perspectives on basic nursing care education.

PubMed

Huisman-de Waal, Getty; Feo, Rebecca; Vermeulen, Hester; Heinen, Maud

2018-02-05

The aim of the study is to explore the perspectives of nursing students on their education concerning basic nursing care, learned either during theoretical education or clinical placement, with a specific focus on nutrition and communication. Basic care activities lie at the core of nursing, but are ill-informed by evidence and often poorly delivered. Nursing students' education on basic care might be lacking, and the question remains how they learn to deliver basic care in clinical practice. Descriptive study, using an online questionnaire. Nursing students at the vocational and bachelor level of six nursing schools in the Netherlands were invited to complete an online questionnaire regarding their perception of basic nursing care education in general (both theoretical education and clinical placement), and specifically in relation to nutrition and communication. Nursing students (n=226 bachelor students, n=30 vocational students) completed the questionnaire. Most students reported that they learned more about basic nursing care during clinical placement than during theoretical education. Vocational students also reported learning more about basic nursing care in both theoretical education and clinical practice than bachelor students. In terms of nutrition, low numbers of students from both education levels reported learning about nutrition protocols and guidelines during theoretical education. In terms of communication, vocational students indicated that they learned more about different aspects of communication during clinical practice than theoretical education, and were also more likely to learn about communication (in both theoretical education and clinical practice) than were bachelor students. Basic nursing care seems to be largely invisible in nursing education, especially at the bachelor level and during theoretical education. Improved basic nursing care will enhance nurse sensitive outcomes and patient satisfaction and will contribute to lower healthcare costs. This study shows that there is scope within current nurse education in the Netherlands to focus more systematically and explicitly on basic nursing care. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Full-dimensional analytical potential energy surface describing the gas-phase Cl + C2H6 reaction and kinetics study of rate constants and kinetic isotope effects.

PubMed

Rangel, Cipriano; Espinosa-Garcia, Joaquin

2018-02-07

Within the Born-Oppenheimer approximation a full-dimensional analytical potential energy surface, PES-2017, was developed for the gas-phase hydrogen abstraction reaction between the chlorine atom and ethane, which is a nine body system. This surface presents a valence-bond/molecular mechanics functional form dependent on 60 parameters and is fitted to high-level ab initio calculations. This reaction presents little exothermicity, -2.30 kcal mol -1 , with a low height barrier, 2.44 kcal mol -1 , and intermediate complexes in the entrance and exit channels. We found that the energetic description was strongly dependent on the ab initio level used and it presented a very flat topology in the entrance channel, which represents a theoretical challenge in the fitting process. In general, PES-2017 reproduces the ab initio information used as input, which is merely a test of self-consistency. As a first test of the quality of the PES-2017, a theoretical kinetics study was performed in the temperature range 200-1400 K using two approaches, i.e. the variational transition-state theory and quasi-classical trajectory calculations, with spin-orbit effects. The rate constants show reasonable agreement with experiments in the whole temperature range, with the largest differences at the lowest temperatures, and this behaviour agrees with previous theoretical studies, thus indicating the inherent difficulties in the theoretical simulation of the kinetics of the title reaction. Different sources of error were analysed, such as the limitations of the PES and theoretical methods, recrossing effects, and the tunnelling effect, which is negligible in this reaction, and the manner in which the spin-orbit effects were included in this non-relativistic study. We found that the variation of spin-orbit coupling along the reaction path, and the influence of the reactivity of the excited Cl( 2 P 1/2 ) state, have relative importance, but do not explain the whole discrepancy. Finally, the activation energy and the kinetics isotope effects reproduce the experimental information.

The co-occurrence of childhood sexual abuse, adult sexual assault, intimate partner violence, and sexual harassment: a mediational model of posttraumatic stress disorder and physical health outcomes.

PubMed

Campbell, Rebecca; Greeson, Megan R; Bybee, Deborah; Raja, Sheela

2008-04-01

This study examined the co-occurrence of childhood sexual abuse, adult sexual assault, intimate partner violence, and sexual harassment in a predominantly African American sample of 268 female veterans, randomly sampled from an urban Veterans Affairs hospital women's clinic. A combination of hierarchical and iterative cluster analysis was used to identify 4 patterns of women's lifetime experiences of violence co-occurrence. The 1st cluster experienced relatively low levels of all 4 forms of violence; the 2nd group, high levels of all 4 forms; the 3rd, sexual revictimization across the lifespan with adult sexual harassment; and the 4th, high intimate partner violence with sexual harassment. This cluster solution was validated in a theoretically driven model that examined the role of posttraumatic stress disorder (PTSD) as a mediator of physical health symptomatology. Structural equation modeling analyses revealed that PTSD fully mediated the relationship between violence and physical health symptomatology. Consistent with a bio-psycho-immunologic theoretical model, PTSD levels more strongly predicted pain-related physical health symptoms compared to nonpain health problems. Implications for clinical interventions to prevent PTSD and to screen women for histories of violence in health care settings are discussed. PsycINFO Database Record (c) 2008 APA, all rights reserved.

Architected squirt-flow materials for energy dissipation

NASA Astrophysics Data System (ADS)

Cohen, Tal; Kurzeja, Patrick; Bertoldi, Katia

2017-12-01

In the present study we explore material architectures that lead to enhanced dissipation properties by taking advantage of squirt-flow - a local flow mechanism triggered by heterogeneities at the pore level. While squirt-flow is a known dominant source of dissipation and seismic attenuation in fluid saturated geological materials, we study its untapped potential to be incorporated in highly deformable elastic materials with embedded fluid-filled cavities for future engineering applications. An analytical investigation, that isolates the squirt-flow mechanism from other potential dissipation mechanisms and considers an idealized setting, predicts high theoretical levels of dissipation achievable by squirt-flow and establishes a set of guidelines for optimal dissipation design. Particular architectures are then investigated via numerical simulations showing that a careful design of the internal voids can lead to an increase of dissipation levels by an order of magnitude, compared with equivalent homogeneous void distributions. Therefore, we suggest squirt-flow as a promising mechanism to be incorporated in future architected materials to effectively and reversibly dissipate energy.

Should Debbie Do Shale? A Playful Polemic in Honor of Paul Feyerabend.

ERIC Educational Resources Information Center

Steedman, P. H.

1982-01-01

Examines the epistemological assumptions underlying the teaching of high school science. The author recommends a science course at the high school level in which science is presented, within a historical context, as an essentially theoretical activity which reflects a culture's political, religious, philosophical, aesthetic, and ideological…

The dark and bright sides of self-efficacy in predicting learning, innovative and risky performances.

PubMed

Salanova, Marisa; Lorente, Laura; Martínez, Isabel M

2012-11-01

The objective of this study is to analyze the different role that efficacy beliefs play in the prediction of learning, innovative and risky performances. We hypothesize that high levels of efficacy beliefs in learning and innovative performances have positive consequences (i.e., better academic and innovative performance, respectively), whereas in risky performances they have negative consequences (i.e., less safety performance). To achieve this objective, three studies were conducted, 1) a two-wave longitudinal field study among 527 undergraduate students (learning setting), 2) a three-wave longitudinal lab study among 165 participants performing innovative group tasks (innovative setting), and 3) a field study among 228 construction workers (risky setting). As expected, high levels of efficacy beliefs have positive or negative consequences on performance depending on the specific settings. Unexpectedly, however, we found no time x self-efficacy interaction effect over time in learning and innovative settings. Theoretical and practical implications within the social cognitive theory of A. Bandura framework are discussed.

Statistical Power for the Comparative Regression Discontinuity Design With a Pretest No-Treatment Control Function: Theory and Evidence From the National Head Start Impact Study.

PubMed

Tang, Yang; Cook, Thomas D

2018-01-01

The basic regression discontinuity design (RDD) has less statistical power than a randomized control trial (RCT) with the same sample size. Adding a no-treatment comparison function to the basic RDD creates a comparative RDD (CRD); and when this function comes from the pretest value of the study outcome, a CRD-Pre design results. We use a within-study comparison (WSC) to examine the power of CRD-Pre relative to both basic RDD and RCT. We first build the theoretical foundation for power in CRD-Pre, then derive the relevant variance formulae, and finally compare them to the theoretical RCT variance. We conclude from this theoretical part of this article that (1) CRD-Pre's power gain depends on the partial correlation between the pretest and posttest measures after conditioning on the assignment variable, (2) CRD-Pre is less responsive than basic RDD to how the assignment variable is distributed and where the cutoff is located, and (3) under a variety of conditions, the efficiency of CRD-Pre is very close to that of the RCT. Data from the National Head Start Impact Study are then used to construct RCT, RDD, and CRD-Pre designs and to compare their power. The empirical results indicate (1) a high level of correspondence between the predicted and obtained power results for RDD and CRD-Pre relative to the RCT, and (2) power levels in CRD-Pre and RCT that are very close. The study is unique among WSCs for its focus on the correspondence between RCT and observational study standard errors rather than means.

Overview of RICOR's reliability theoretical analysis, accelerated life demonstration test results and verification by field data

NASA Astrophysics Data System (ADS)

Vainshtein, Igor; Baruch, Shlomi; Regev, Itai; Segal, Victor; Filis, Avishai; Riabzev, Sergey

2018-05-01

The growing demand for EO applications that work around the clock 24hr/7days a week, such as in border surveillance systems, emphasizes the need for a highly reliable cryocooler having increased operational availability and optimized system's Integrated Logistic Support (ILS). In order to meet this need, RICOR developed linear and rotary cryocoolers which achieved successfully this goal. Cryocoolers MTTF was analyzed by theoretical reliability evaluation methods, demonstrated by normal and accelerated life tests at Cryocooler level and finally verified by field data analysis derived from Cryocoolers operating at system level. The following paper reviews theoretical reliability analysis methods together with analyzing reliability test results derived from standard and accelerated life demonstration tests performed at Ricor's advanced reliability laboratory. As a summary for the work process, reliability verification data will be presented as a feedback from fielded systems.

Structure and dynamics of water confined in a graphene nanochannel under gigapascal high pressure: dependence of friction on pressure and confinement.

PubMed

Yang, Lei; Guo, Yanjie; Diao, Dongfeng

2017-05-31

Recently, water flow confined in nanochannels has become an interesting topic due to its unique properties and potential applications in nanofluidic devices. The trapped water is predicted to experience high pressure in the gigapascal regime. Theoretical and experimental studies have reported various novel structures of the confined water under high pressure. However, the role of this high pressure on the dynamic properties of water has not been elucidated to date. In the present study, the structure evolution and interfacial friction behavior of water constrained in a graphene nanochannel were investigated via molecular dynamics simulations. Transitions of the confined water to different ice phases at room temperature were observed in the presence of lateral pressure at the gigapascal level. The friction coefficient at the water/graphene interface was found to be dependent on the lateral pressure and nanochannel height. Further theoretical analyses indicate that the pressure dependence of friction is related to the pressure-induced change in the structure of water and the confinement dependence results from the variation in the water/graphene interaction energy barrier. These findings provide a basic understanding of the dynamics of the nanoconfined water, which is crucial in both fundamental and applied science.

Room temperature linelists for CO2 asymmetric isotopologues with ab initio computed intensities

NASA Astrophysics Data System (ADS)

Zak, Emil J.; Tennyson, Jonathan; Polyansky, Oleg L.; Lodi, Lorenzo; Zobov, Nikolay F.; Tashkun, Sergei A.; Perevalov, Valery I.

2017-12-01

The present paper reports room temperature line lists for six asymmetric isotopologues of carbon dioxide: 16O12C18O (628), 16O12C17O (627), 16O13C18O (638),16O13C17O (637), 17O12C18O (728) and 17O13C18O (738), covering the range 0-8000 cm-1. Variational rotation-vibration wavefunctions and energy levels are computed using the DVR3D software suite and a high quality semi-empirical potential energy surface (PES), followed by computation of intensities using an ab initio dipole moment surface (DMS). A theoretical procedure for quantifying sensitivity of line intensities to minor distortions of the PES/DMS renders our theoretical model as critically evaluated. Several recent high quality measurements and theoretical approaches are discussed to provide a benchmark of our results against the most accurate available data. Indeed, the thesis of transferability of accuracy among different isotopologues with the use of mass-independent PES is supported by several examples. Thereby, we conclude that the majority of line intensities for strong bands are predicted with sub-percent accuracy. Accurate line positions are generated using an effective Hamiltonian, constructed from the latest experiments. This study completes the list of relevant isotopologues of carbon dioxide; these line lists are available to remote sensing studies and inclusion in databases.

Impact of Patient and Procedure Mix on Finances of Perinatal Centres – Theoretical Models for Economic Strategies in Perinatal Centres

PubMed Central

Hildebrandt, T.; Kraml, F.; Wagner, S.; Hack, C. C.; Thiel, F. C.; Kehl, S.; Winkler, M.; Frobenius, W.; Faschingbauer, F.; Beckmann, M. W.; Lux, M. P.

2013-01-01

Introduction: In Germany, cost and revenue structures of hospitals with defined treatment priorities are currently being discussed to identify uneconomic services. This discussion has also affected perinatal centres (PNCs) and represents a new economic challenge for PNCs. In addition to optimising the time spent in hospital, the hospital management needs to define the “best” patient mix based on costs and revenues. Method: Different theoretical models were proposed based on the cost and revenue structures of the University Perinatal Centre for Franconia (UPF). Multi-step marginal costing was then used to show the impact on operating profits of changes in services and bed occupancy rates. The current contribution margin accounting used by the UPF served as the basis for the calculations. The models demonstrated the impact of changes in services on costs and revenues of a level 1 PNC. Results: Contribution margin analysis was used to calculate profitable and unprofitable DRGs based on average inpatient cost per day. Nineteen theoretical models were created. The current direct costing used by the UPF and a theoretical model with a 100 % bed occupancy rate were used as reference models. Significantly higher operating profits could be achieved by doubling the number of profitable DRGs and halving the number of less profitable DRGs. Operating profits could be increased even more by changing the rates of profitable DRGs per bed occupancy. The exclusive specialisation on pathological and high-risk pregnancies resulted in operating losses. All models which increased the numbers of caesarean sections or focused exclusively on c-sections resulted in operating losses. Conclusion: These theoretical models offer a basis for economic planning. They illustrate the enormous impact potential changes can have on the operating profits of PNCs. Level 1 PNCs require high bed occupancy rates and a profitable patient mix to cover the extremely high costs incurred due to the services they are legally required to offer. Based on our theoretical models it must be stated that spontaneous vaginal births (not caesarean sections) were the most profitable procedures in the current DRG system. Overall, it currently makes economic sense for level I PNCs to treat as many low-risk pregnancies and neonates as possible to cover costs. PMID:24771932

Investigating Linguistic, Literary, and Social Affordances of L2 Collaborative Reading

ERIC Educational Resources Information Center

Thoms, Joshua J.; Poole, Frederick

2017-01-01

This exploratory study analyzes learner-learner interactions within a virtual environment when collaboratively reading Spanish poetry in a Hispanic literature course at the college level via an ecological theoretical perspective (van Lier, 2004). The goals of the study are (a) to present empirical data that illustrate the theoretical construct of…

Theoretical and simulation studies of seeding methods

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

Pellegrini, Claudio

We report the theoretical and experimental studies done with the support of DOE-Grant DE-SC0009983 to increase an X-ray FEL peak power from the present level of 20 to 40 GW to one or more TW by seeding, undulator tapering and using the new concept of the Double Bunch FEL.

Vagal activity is quadratically related to prosocial traits, prosocial emotions, and observer perceptions of prosociality.

PubMed

Kogan, Aleksandr; Oveis, Christopher; Carr, Evan W; Gruber, June; Mauss, Iris B; Shallcross, Amanda; Impett, Emily A; van der Lowe, Ilmo; Hui, Bryant; Cheng, Cecilia; Keltner, Dacher

2014-12-01

In the present article, we introduce the quadratic vagal activity-prosociality hypothesis, a theoretical framework for understanding the vagus nerve's involvement in prosociality. We argue that vagus nerve activity supports prosocial behavior by regulating physiological systems that enable emotional expression, empathy for others' mental and emotional states, the regulation of one's own distress, and the experience of positive emotions. However, we contend that extremely high levels of vagal activity can be detrimental to prosociality. We present 3 studies providing support for our model, finding consistent evidence of a quadratic relationship between respiratory sinus arrhythmia--the degree to which the vagus nerve modulates the heart rate--and prosociality. Individual differences in vagal activity were quadratically related to prosocial traits (Study 1), prosocial emotions (Study 2), and outside ratings of prosociality by complete strangers (Study 3). Thus, too much or too little vagal activity appears to be detrimental to prosociality. The present article provides the 1st theoretical and empirical account of the nonlinear relationship between vagal activity and prosociality.

Testing a Theoretical Model of Immigration Transition and Physical Activity.

PubMed

Chang, Sun Ju; Im, Eun-Ok

2015-01-01

The purposes of the study were to develop a theoretical model to explain the relationships between immigration transition and midlife women's physical activity and test the relationships among the major variables of the model. A theoretical model, which was developed based on transitions theory and the midlife women's attitudes toward physical activity theory, consists of 4 major variables, including length of stay in the United States, country of birth, level of acculturation, and midlife women's physical activity. To test the theoretical model, a secondary analysis with data from 127 Hispanic women and 123 non-Hispanic (NH) Asian women in a national Internet study was used. Among the major variables of the model, length of stay in the United States was negatively associated with physical activity in Hispanic women. Level of acculturation in NH Asian women was positively correlated with women's physical activity. Country of birth and level of acculturation were significant factors that influenced physical activity in both Hispanic and NH Asian women. The findings support the theoretical model that was developed to examine relationships between immigration transition and physical activity; it shows that immigration transition can play an essential role in influencing health behaviors of immigrant populations in the United States. The NH theoretical model can be widely used in nursing practice and research that focus on immigrant women and their health behaviors. Health care providers need to consider the influences of immigration transition to promote immigrant women's physical activity.

Friction coefficient determination by electrical resistance measurements

NASA Astrophysics Data System (ADS)

Tunyagi, A.; Kandrai, K.; Fülöp, Z.; Kapusi, Z.; Simon, A.

2018-05-01

A simple and low-cost, DIY-type, Arduino-driven experiment is presented for the study of friction and measurement of the friction coefficient, using a conductive rubber cord as a force sensor. It is proposed for high-school or college/university-level students. We strongly believe that it is worthwhile planning, designing and performing Arduino and compatible sensor-based experiments in physics class in order to ensure a better understanding of phenomena, develop theoretical knowledge and multiple experimental skills.

A maximum entropy reconstruction technique for tomographic particle image velocimetry

NASA Astrophysics Data System (ADS)

Bilsky, A. V.; Lozhkin, V. A.; Markovich, D. M.; Tokarev, M. P.

2013-04-01

This paper studies a novel approach for reducing tomographic PIV computational complexity. The proposed approach is an algebraic reconstruction technique, termed MENT (maximum entropy). This technique computes the three-dimensional light intensity distribution several times faster than SMART, using at least ten times less memory. Additionally, the reconstruction quality remains nearly the same as with SMART. This paper presents the theoretical computation performance comparison for MENT, SMART and MART, followed by validation using synthetic particle images. Both the theoretical assessment and validation of synthetic images demonstrate significant computational time reduction. The data processing accuracy of MENT was compared to that of SMART in a slot jet experiment. A comparison of the average velocity profiles shows a high level of agreement between the results obtained with MENT and those obtained with SMART.

Dogmatism, Locus of Control, Perceived Counselor Self-Efficacy, and the Theoretical Orientation of Students in a Master's Level Counseling Practicum

ERIC Educational Resources Information Center

Benesh, Andrew Christopher

2017-01-01

Purpose: The purpose of this study was to fill a gap in the literature by examining the relationship between dogmatism, locus of control, counselor self-efficacy, and counselor theoretical orientation in a sample of master's level practicum students. Method: A total of 45 master's practicum students completed a series of four instruments, the DOG…

Ground and excited state properties of high performance anthocyanidin dyes-sensitized solar cells in the basic solutions

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

Prima, Eka Cahya; Computational Material Design and Quantum Engineering Laboratory, Engineering Physics, Institut Teknologi Bandung; International Program on Science Education, Universitas Pendidikan Indonesia

2015-09-30

The aglycones of anthocyanidin dyes were previously reported to form carbinol pseudobase, cis-chalcone, and trans-chalcone due to the basic levels. The further investigations of ground and excited state properties of the dyes were characterized using density functional theory with PCM(UFF)/B3LYP/6-31+G(d,p) level in the basic solutions. However, to the best of our knowledge, the theoretical investigation of their potential photosensitizers has never been reported before. In this paper, the theoretical photovoltaic properties sensitized by dyes have been successfully investigated including the electron injections, the ground and excited state oxidation potentials, the estimated open circuit voltages, and the light harvesting efficiencies. Themore » results prove that the electronic properties represented by dyes’ LUMO-HOMO levels will affect to the photovoltaic performances. Cis-chalcone dye is the best anthocyanidin aglycone dye with the electron injection spontaneity of −1.208 eV, the theoretical open circuit voltage of 1.781 V, and light harvesting efficiency of 56.55% due to the best HOMO-LUMO levels. Moreover, the ethanol solvent slightly contributes to the better cell performance than the water solvent dye because of the better oxidation potential stabilization in the ground state as well as in the excited state. These results are in good agreement with the known experimental report that the aglycones of anthocyanidin dyes in basic solvent are the high potential photosensitizers for dye-sensitized solar cell.« less

Studies In Theoretical High Energy Particle Physics

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

Keung, Wai Yee

2017-07-01

This is a final technical report for grant no. DE-SC0007948 describing research activities in theoretical high energy physics at University of Illinois at Chicago for the whole grant period from July 1, 2012 to March 31, 2017.

On building methodological and theoretical frameworks to examine the interrelationships between environmental change and armed conflict

NASA Astrophysics Data System (ADS)

Van Den Hoek, J.

2014-12-01

Relationships between environmental change and armed conflict have long been studied. Sometimes referred to as 'warfare' or 'conflict' ecology, much of this scholarship has come in response to local-level perceptions of landscape or livelihood changes that result from regional armed conflict. However, such studies have, first, typically focused on spatiotemporally acute and readily detectable environmental change, like deforestation, to the exclusion of protracted and more subtle environmental changes, like agricultural degradation; second, been limited to situational conflicts or circumstances, thereby inhibiting broader theoretical development; and, third, often only considered the environmental consequences rather than the environmental or climatic circumstances that may contribute to conflict. As a result, there is little opportunity for methodological or theoretical cohesion between studies. In this presentation, I synthesize findings from three case studies examining the interrelationships between agricultural change and armed conflict in the semi-arid landscapes of northwest Pakistan, Palestine, and southern Syria. Using coarse through very high resolution remotely sensed imagery, socio-economic and demographic data, conflict databases, open-source programming, and building on theoretical underpinnings of political ecology and conflict studies, I present methods and modeling approaches that aid in overcoming data scarcity and disparity between scales of analysis and integrate environmental and conflict data in spatiotemporally explicit ways. Results from these case studies illuminate the interrelationships between both protracted and acute agricultural change and armed conflict, and have broad relevance for understanding the means by which environment, conflict, and livelihoods are linked, a nexus that will only become tighter with the advance of global climate change.

Tunneling spectra for electrons in the lowest Landau level

NASA Astrophysics Data System (ADS)

Burnell, F. J.; Simon, Steven H.

2010-03-01

The recently developed experimental technique of time dependent capacitance spectroscopy [1] allows for measurements of high-resolution tunneling spectra of 2DEGs in the quantum Hall regime, giving a detailed probe of the single particle spectral function (electron addition and subtraction spectra). These experiments show a number of interesting features including Landau level structure, exchange enhanced Zeeman energy, Coulomb gap physics, effects of fractional quantization, as well as several key features that remain to be explained. While there has been some prior theoretical work[2] towards explaining low energy Coulomb gap features of tunneling spectra found in much earlier tunneling experiments [3], the new experiments[1] have uncovered physics outside of the prior theoretical explanations. Building on a number of these prior theoretical works, we investigate theoretically the expected tunneling spectra for electrons in low Landau levels, including the effects of electron spin and coupling to collective modes. [1] O. E. Dial, R.C. Ashoori, L.N. Pfeiffer, and K.W. West, Nature 448, 176-179 (2007) ; O. E. Dial et al, unpublished. [2] I. Aleiner et al, Phys. Rev. Lett 74 3435; (1994) S. R. E. Yang and A. MacDonald PRL 70 4110 (1993); S. He, P.M. Platzman, and B. I. Halperin, PRL 71 777 (1993). [3] J. P. Eisenstein et al, Phy. Rev. Lett. 69, 3804 (1992).

What explains the socioeconomic status gap in activity? Educational differences in determinants of physical activity and screentime.

PubMed

Hankonen, Nelli; Heino, Matti T J; Kujala, Emilia; Hynynen, Sini-Tuuli; Absetz, Pilvikki; Araújo-Soares, Vera; Borodulin, Katja; Haukkala, Ari

2017-02-01

Designing evidence-based interventions to address socioeconomic disparities in health and health behaviours requires a better understanding of the specific explanatory mechanisms. We aimed to investigate a comprehensive range of potential theoretical mediators of physical activity (PA) and screen time in different socioeconomic status (SES) groups: a high SES group of high school students, and a low SES group of vocational school students. The COM-B system, including the Theoretical Domains Framework (TDF), was used as a heuristic framework to synthesise different theoretical determinants in this exploratory study. Finnish vocational and high school students (N = 659) aged 16-19, responded to a survey assessing psychological, social and environmental determinants of activity (PA and screen time). These determinants are mappable into the COM-B domains: capability, opportunity and motivation. The outcome measures were validated self-report measures for PA and screen time. The statistical analyses included a bootstrapping-based mediation procedure. Regarding PA, there were SES differences in all of the COM-B domains. For example, vocational school students reported using less self-monitoring of PA, weaker injunctive norms to engage in regular PA, and fewer intentions than high school students. Mediation analyses identified potential mediators of the SES-PA relationship in all of three domains: The most important candidates included self-monitoring (CI95 for b: 0.19-0.47), identity (0.04-0.25) and material resources available (0.01-0.16). However, SES was not related to most determinants of screentime, where there were mainly gender differences. Most determinants were similarly related with both behaviours in both SES groups, indicating no major moderation effect of SES on these relationships. This study revealed that already in the first years of educational differentiation, levels of key PA determinants differ, contributing to socioeconomic differences in PA. The analyses identified the strongest mediators of the SES-PA association, but additional investigation utilising longitudinal and experimental designs are needed. This study demonstrates the usefulness of combining constructs from various theoretical approaches to better understand the role of distinct mechanisms that underpin socioeconomic health behaviour disparities.

Space storable propellant performance program coaxial injector characterization

NASA Technical Reports Server (NTRS)

Burick, R. J.

1972-01-01

An experimental program was conducted to characterize the circular coaxial injector concept for application with the space-storable gas/liquid propellant combination FLOX(82.6% F2)/CH4(g) at high pressure. The primary goal of the program was to obtain high characteristic velocity efficiency in conjunction with acceptable injector/chamber compatibility. A series of subscale (single element) cold flow and hot fire experiments was employed to establish design criteria for a 3000-lbf (sea level) engine operating at 500 psia. The subscale experiments characterized both high performance core elements and peripheral elements with enhanced injector/chamber compatibility. The full-scale injector which evolved from the study demonstrated a performance level of 99 percent of the theoretical shifting characteristic exhaust velocity with low chamber heat flux levels. A 44-second-duration firing demonstrated the durability of the injector. Parametric data are presented that are applicable for the design of circular, coaxial injectors that operate with injection dynamics (fuel and oxidizer velocity, etc.) similar to those employed in the work reported.

The effects of control field detuning on the modulation instability in a three-level quantum well system

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

Borgohain, Nitu, E-mail: nituborgohain.ism@gmail.com; Konar, S.

The paper presents a theoretical study of the modulation instability of a continuous or quasi-continuous optical probe in a three level quantum well system under electromagnetically induced transparency. The modulation instability is affected by the control field detuning, as well as even-order dispersion and by the strength of Kerr (third-order) and quintic (fifth-order) nonlinearities. The fourth-order dispersion reduces the bandwidth over which modulation instability occurs, whereas the quintic nonlinearity saturates the growth of the modulation instability. Detuning the control field from resonance can significantly reduce the growth of the modulation instability at both low and high power levels. At lowmore » powers, the system becomes stable against modulation instability for small detuning of the control field and at high powers modulation instability disappears for larger detuning.« less

The problem with the phrase women and minorities: intersectionality-an important theoretical framework for public health.

PubMed

Bowleg, Lisa

2012-07-01

Intersectionality is a theoretical framework that posits that multiple social categories (e.g., race, ethnicity, gender, sexual orientation, socioeconomic status) intersect at the micro level of individual experience to reflect multiple interlocking systems of privilege and oppression at the macro, social-structural level (e.g., racism, sexism, heterosexism). Public health's commitment to social justice makes it a natural fit with intersectionality's focus on multiple historically oppressed populations. Yet despite a plethora of research focused on these populations, public health studies that reflect intersectionality in their theoretical frameworks, designs, analyses, or interpretations are rare. Accordingly, I describe the history and central tenets of intersectionality, address some theoretical and methodological challenges, and highlight the benefits of intersectionality for public health theory, research, and policy.

The Problem With the Phrase Women and Minorities: Intersectionality—an Important Theoretical Framework for Public Health

PubMed Central

2012-01-01

Intersectionality is a theoretical framework that posits that multiple social categories (e.g., race, ethnicity, gender, sexual orientation, socioeconomic status) intersect at the micro level of individual experience to reflect multiple interlocking systems of privilege and oppression at the macro, social-structural level (e.g., racism, sexism, heterosexism). Public health’s commitment to social justice makes it a natural fit with intersectionality’s focus on multiple historically oppressed populations. Yet despite a plethora of research focused on these populations, public health studies that reflect intersectionality in their theoretical frameworks, designs, analyses, or interpretations are rare. Accordingly, I describe the history and central tenets of intersectionality, address some theoretical and methodological challenges, and highlight the benefits of intersectionality for public health theory, research, and policy. PMID:22594719

Safety issues in high speed machining

NASA Astrophysics Data System (ADS)

1994-05-01

There are several risks related to High-Speed Milling, but they have not been systematically determined or studied so far. Increased loads by high centrifugal forces may result in dramatic hazards. Flying tools or fragments from a tool with high kinetic energy may damage surrounding people, machines and devices. In the project, mechanical risks were evaluated, theoretic values for kinetic energies of rotating tools were calculated, possible damages of the flying objects were determined and terms to eliminate the risks were considered. The noise levels of the High-Speed Machining center owned by the Helsinki University of Technology (HUT) and the Technical Research Center of Finland (VTT) in practical machining situation were measured and the results were compared to those after basic preventive measures were taken.

Observations of the high vibrational levels of the B ' ' B ¯ 1 Σu + state of H2

NASA Astrophysics Data System (ADS)

Chartrand, A. M.; Duan, W.; Ekey, R. C.; McCormack, E. F.

2016-01-01

Double-resonance laser spectroscopy via the E F 1 Σg + , v ' = 6 , J ' = 0 -2 state was used to probe the high vibrational levels of the B ' ' B ¯ 1 Σu + state of molecular hydrogen. Resonantly enhanced multiphoton ionization spectra were recorded by detecting ion production as a function of energy using a time of flight mass spectrometer. New measurements of energies for the v = 51-66 levels for the B ' ' B ¯ state of H2 are reported, which, taken with previous results, span the v = 46-69 vibrational levels. Results for energy levels are compared to theoretical close-coupled calculations [L. Wolniewicz, T. Orlikowski, and G. Staszewska, J. Mol. Spectrosc. 238, 118-126 (2006)]. The average difference between the 84 measured energies and calculated energies is -3.8 cm-1 with a standard deviation of 5.3 cm-1. This level of agreement showcases the success of the theoretical calculations in accounting for the strong rovibronic mixing of the 1 Σu + and 1 Πu + states. Due to the ion-pair character of the outer well, the observed energies of the vibrational levels below the third dissociation limit smoothly connect with previously observed energies of ion-pair states above this limit. The results provide an opportunity for testing a heavy Rydberg multi-channel quantum defect analysis of the high vibrational states below the third dissociation limit.

Multiple p-n junction subwavelength gratings for transmission-mode electro-optic modulators

PubMed Central

Lee, Ki Young; Yoon, Jae Woong; Song, Seok Ho; Magnusson, Robert

2017-01-01

We propose a free-space electro-optic transmission modulator based on multiple p-n-junction semiconductor subwavelength gratings. The proposed device operates with a high-Q guided-mode resonance undergoing electro-optic resonance shift due to direct electrical control. Using rigorous electrical and optical modeling methods, we theoretically demonstrate a modulation depth of 84%, on-state efficiency 85%, and on-off extinction ratio of 19 dB at 1,550 nm wavelength under electrical control signals within a favorably low bias voltage range from −4 V to +1 V. This functionality operates in the transmission mode and sustainable in the high-speed operation regime up to a 10-GHz-scale modulation bandwidth in principle. The theoretical performance prediction is remarkably advantageous over plasmonic tunable metasurfaces in the power-efficiency and absolute modulation-depth aspects. Therefore, further experimental study is of great interest for creating practical-level metasurface components in various application areas. PMID:28417962

Substituent effect on photophysical properties of bi-1,3,4-oxadiazole derivatives in solution

NASA Astrophysics Data System (ADS)

Chen, Fangyi; Tian, Taiji; Zhao, Chengxiao; Bai, Binglian; Li, Min; Wang, Haitao

2016-04-01

A series of phenyl substituted bi-1,3,4-oxadiazole derivatives were designed and synthesized; the effect of substituent on the photophysical properties and molecular electronic structures was fully studied by the combination of experimental techniques and theoretical calculations. Compared to parent compound without any substituent (BOXD), fluoro-substituent shows little effect on the absorption and emission spectra, whilst a little larger spectral red-shift could be observed for methoxy-, nitro-substituted derivatives and thienyl-substituted bi-1,3,4-oxadiazole (TBOXD). These spectral changes can be well explained by theoretically calculated HOMO and LUMO energy level changes. All these molecules show high fluorescence quantum yield except for nitro-substituted derivative in dilute solutions. The quantum yield of BOXD changes with the concentration and exhibits a high value at the concentrated solution. This work revealed the influence of substituent on the photophysical properties of bi-1,3,4-oxadizaole derivatives in dilute solutions and provided guidance for designing molecules with potential application.

Using the TAT to Assess the Relation Between Gender Identity and the Use of Defense Mechanisms.

PubMed

Cramer, Phebe

2017-01-01

The purpose of this study is to explore whether 2 different dimensions of personality, when assessed at an implicit level with the Thematic Apperception Test (TAT; Murray, 1943 ) will show a theoretically meaningful coherence not demonstrated when 1 is assessed at an implicit level and the other at an explicit level. Gender identity and defense mechanisms were assessed implicitly using the TAT. Gender identity was compared with a self-report measure of gender-related attributes assessed at the explicit level. The results showed a theoretically meaningful coherence when different dispositions were assessed at the same level, but a lack of agreement when similar dispositions were assessed at different levels. The study is based on a secondary analysis of data from 2 previously published papers (Cramer, 1998 ; Cramer & Westergren, 1999 ).

Strain heterogeneity in sheared colloids revealed by neutron scattering

DOE PAGES

Chen, Kevin; Wu, Bin; He, Lilin; ...

2018-02-07

Recent computational and theoretical studies have shown that the deformation of colloidal suspensions under a steady shear is highly heterogeneous at the particle level and demonstrate a critical influence on the macroscopic deformation behavior. Despite its relevance to a wide variety of industrial applications of colloidal suspensions, scattering studies focusing on addressing the heterogeneity of the non-equilibrium colloidal structure are scarce thus far. Here in this paper, we report the first experimental result using small-angle neutron scattering. From the evolution of strain heterogeneity, we conclude that the shear-induced deformation transforms from nearly affine behavior at low shear rates, to plasticmore » rearrangements when the shear rate is high.« less

Applying a Conceptual Design Framework to Study Teachers' Use of Educational Technology

ERIC Educational Resources Information Center

Holmberg, Jörgen

2017-01-01

Theoretical outcomes of design-based research (DBR) are often presented in the form of local theory design principles. This article suggests a complementary theoretical construction in DBR, in the form of a "design framework" at a higher abstract level, to study and inform educational design with ICT in different situated contexts.…

Why Drink Less? Diffidence, Self-Presentation Styles, and Alcohol Use among University Students

ERIC Educational Resources Information Center

Korn, Marcella E.; Maggs, Jennifer L.

2004-01-01

Through the theoretical lens of the self-presentation model, this paper addresses conflicting results from past research on the links between the components of diffidence (i.e., high levels of introversion and loneliness, and low levels of self-esteem) and alcohol use among undergraduate college students (N = 548). Correlational and multiple…

Coupled superconducting qudit-resonator system: Energy spectrum, state population, and state transition under microwave drive

NASA Astrophysics Data System (ADS)

Liu, W. Y.; Xu, H. K.; Su, F. F.; Li, Z. Y.; Tian, Ye; Han, Siyuan; Zhao, S. P.

2018-03-01

Superconducting quantum multilevel systems coupled to resonators have recently been considered in some applications such as microwave lasing and high-fidelity quantum logical gates. In this work, using an rf-SQUID type phase qudit coupled to a microwave coplanar waveguide resonator, we study both theoretically and experimentally the energy spectrum of the system when the qudit level spacings are varied around the resonator frequency by changing the magnetic flux applied to the qudit loop. We show that the experimental result can be well described by a theoretical model that extends from the usual two-level Jaynes-Cummings system to the present four-level system. It is also shown that due to the small anharmonicity of the phase device a simplified model capturing the leading state interactions fits the experimental spectra very well. Furthermore we use the Lindblad master equation containing various relaxation and dephasing processes to calculate the level populations in the simpler qutrit-resonator system, which allows a clear understanding of the dynamics of the system under the microwave drive. Our results help to better understand and perform the experiments of coupled multilevel and resonator systems and can be applied in the case of transmon or Xmon qudits having similar anharmonicity to the present phase device.

Metasurface with Reconfigurable Reflection Phase for High-Power Microwave Applications (Briefing Charts)

DTIC Science & Technology

2014-06-25

Metasurfaces with Reconfigurable Reflection Phase for High-Power Microwave Applications Kenneth L. Morgan, Clinton P. Scarborough, Micah D...TITLE AND SUBTITLE Metasurface with Reconfigurable Reflection Phase for High- Power Microwave Applications 5a. CONTRACT NUMBER 5b...Examples that demonstrate theoretical methods for extending the operating power levels of metasurface reflectarrays have been given •The proposed

Corruption and air pollution in Europe.

PubMed

Ivanova, Kate

2011-01-01

This paper examines how the effectiveness of regulatory framework influences levels of sulphur emissions in a scenario where, to reduce its (emission-) tax payments, a polluting firm may under-report emissions level at the risk of being audited and fined. First, a model to explain how changes in regulatory framework (e.g., audit effectiveness) and transboundary spillovers affect both actual and reported emissions is developed. Then the theoretical predictions using data for 39 European countries from 1999 to 2003 are tested and inferences about true emission levels are made. The empirical analysis supports the theoretical predictions with significant implications for the interpretation of pollution data reported to international monitoring agencies. Countries with effective regulation are likely to have relatively high reported emissions of sulphur. But this should not automatically be interpreted as weak environmental performance, because their actual pollution levels are likely to be lower than in nations with less effective regulation.

Theoretical and experimental study on reabsorption effect and temperature characteristic of a quasi-three-level 946nm Nd:YAG laser

NASA Astrophysics Data System (ADS)

Huang, Jing; Wan, Yuan; Chen, Weibiao

2015-02-01

The influence of temperature and incident pump power on reabsorption loss is theoretically discussed. Temperature characteristic and reabsorption loss rate of a diode-pumped quasi-three-level 946 nm Nd:YAG laser are investigated. Reabsorption effect has a significant impact on laser performance. The results indicate that reabsorption loss increases as the working temperature rises and decreases with the increased incident pump power.

An Application of Attachment Theory: Mentoring Relationship Dynamics and Ethical Concerns

ERIC Educational Resources Information Center

Gormley, Barbara

2008-01-01

In this theoretical paper, mentoring relationships are conceptualized as close relationships that occur along a spectrum from highly functional to highly dysfunctional, with most occurring in between. A complex set of factors describe the functioning level of mentoring relationships: (a) the attachment styles of the mentors and mentees; (b)…

Motivation and competence of participants in a learner-centered student-run clinic: an exploratory pilot study.

PubMed

Schutte, Tim; Tichelaar, Jelle; Dekker, Ramon S; Thijs, Abel; de Vries, Theo P G M; Kusurkar, Rashmi A; Richir, Milan C; van Agtmael, Michiel A

2017-01-25

The Learner-Centered Student-run Clinic (LC-SRC) was designed to teach and train prescribing skills grounded in a real-life context, to provide students with early clinical experience and responsibility. The current studies' theoretical framework was based on the Self-determination Theory. According to the Self-determination Theory, early involvement in clinical practice combined with a high level of responsibility makes the LC-SRC an environment that can stimulate intrinsic motivation. We investigated the different types of motivation and the proficiency in CanMEDS competencies of the participating students. Type of motivation was measured using the Academic Motivation Scale and Intrinsic Motivation Inventory. CanMEDS competencies were evaluated by faculty using a mini-clinical examination and by the students themselves using a post-participation questionnaire. The 29 participating students were highly intrinsic motivated for this project on all subscales of the Intrinsic Motivation Inventory. Motivation for medical school on the Academic Motivation Scale was high before and was not significantly changed after participation. Students considered that their CanMEDS competencies "Collaborator", "Communicator", "Academic", and "Medical expert" had improved. Their actual clinical team competence was judged by faculty to be at a junior doctor level. Students showed a high level of intrinsic motivation to participate in the LC-SRC and perceived an improvement in competence. Furthermore their actual clinical competence was at junior doctor level in all CanMEDS competencies. The stimulating characteristics of the LC-SRC, the high levels of intrinsic motivation and the qualitative comments of the students in this study makes the LC-SRC an attractive place for learning.

A Theoretical Structure of High School Concert Band Performance

ERIC Educational Resources Information Center

Bergee, Martin J.

2015-01-01

This study used exploratory (EFA) and confirmatory factor analysis (CFA) to verify a theoretical structure for high school concert band performance and to test that structure for viability, generality, and invariance. A total of 101 university students enrolled in two different bands rated two high school band performances (a "first"…

Enactivism as a Powerful Theoretical Framework for Research and Tool to Reflect on My Own Role as a Supervisor

ERIC Educational Resources Information Center

Schäfer, Marc

2016-01-01

Enactivism, as an interesting and useful theoretical underpinning is gaining traction in Mathematics Education research. It forms the central theme of this paper whose aim is two-fold: first to describe and engage with how elements of enactivism informed a PhD study, both on a theoretical and analytical level, and second to reflect on the enacted…

Influence of radioactivity on surface charging and aggregation kinetics of particles in the atmosphere.

PubMed

Kim, Yong-Ha; Yiacoumi, Sotira; Lee, Ida; McFarlane, Joanna; Tsouris, Costas

2014-01-01

Radioactivity can influence surface interactions, but its effects on particle aggregation kinetics have not been included in transport modeling of radioactive particles. In this research, experimental and theoretical studies have been performed to investigate the influence of radioactivity on surface charging and aggregation kinetics of radioactive particles in the atmosphere. Radioactivity-induced charging mechanisms have been investigated at the microscopic level, and heterogeneous surface potential caused by radioactivity is reported. The radioactivity-induced surface charging is highly influenced by several parameters, such as rate and type of radioactive decay. A population balance model, including interparticle forces, has been employed to study the effects of radioactivity on particle aggregation kinetics in air. It has been found that radioactivity can hinder aggregation of particles because of similar surface charging caused by the decay process. Experimental and theoretical studies provide useful insights into the understanding of transport characteristics of radioactive particles emitted from severe nuclear events, such as the recent accident of Fukushima or deliberate explosions of radiological devices.

Characterization of electronic structure and physicochemical properties of antiparasitic nifurtimox analogues: A theoretical study

NASA Astrophysics Data System (ADS)

Soriano-Correa, Catalina; Raya, A.; Esquivel, Rodolfo O.

American trypanosomiasis, also known as Chagas' disease, is caused by Trypanosoma cruzi (T. cruzi). It is well known that trypanosomes, and particularly T. cruzi, are highly sensitive towards oxidative stress, i.e., to compounds than are able to produce free radicals. Generally, nifurtimox (NFX) and benznidazol are most effective in the acute phase of the disease; therefore, nitroheterocycles constitute good models to design other nitrocompounds with specific biological characteristics. Thus, we have performed an ab initio study at the Hartree-Fock and Density Functional Theory levels of theory of several NFX analogues recently synthesized, to characterize them by obtaining their electronic, structural, and physicochemical properties, which might be linked to the observed antichagasic activity. The antitrypanosomal activity scale previously reported for the NFX analogues studied in this work is in good agreement with our theoretical results, from which we can conclude that the activity seems to be related to the reactivity along with the acidity observed for the most active molecules.

Optimal energy for cell radiosensitivity enhancement by gold nanoparticles using synchrotron-based monoenergetic photon beams

PubMed Central

Rahman, Wan Nordiana; Corde, Stéphanie; Yagi, Naoto; Abdul Aziz, Siti Aishah; Annabell, Nathan; Geso, Moshi

2014-01-01

Gold nanoparticles have been shown to enhance radiation doses delivered to biological targets due to the high absorption coefficient of gold atoms, stemming from their high atomic number (Z) and physical density. These properties significantly increase the likelihood of photoelectric effects and Compton scattering interactions. Gold nanoparticles are a novel radiosensitizing agent that can potentially be used to increase the effectiveness of current radiation therapy techniques and improve the diagnosis and treatment of cancer. However, the optimum radiosensitization effect of gold nanoparticles is strongly dependent on photon energy, which theoretically is predicted to occur in the kilovoltage range of energy. In this research, synchrotron-generated monoenergetic X-rays in the 30–100 keV range were used to investigate the energy dependence of radiosensitization by gold nanoparticles and also to determine the photon energy that produces optimum effects. This investigation was conducted using cells in culture to measure dose enhancement. Bovine aortic endothelial cells with and without gold nanoparticles were irradiated with X-rays at energies of 30, 40, 50, 60, 70, 81, and 100 keV. Trypan blue exclusion assays were performed after irradiation to determine cell viability. Cell radiosensitivity enhancement was indicated by the dose enhancement factor which was found to be maximum at 40 keV with a value of 3.47. The dose enhancement factor obtained at other energy levels followed the same direction as the theoretical calculations based on the ratio of the mass energy absorption coefficients of gold and water. This experimental evidence shows that the radiosensitization effect of gold nanoparticles varies with photon energy as predicted from theoretical calculations. However, prediction based on theoretical assumptions is sometimes difficult due to the complexity of biological systems, so further study at the cellular level is required to fully characterize the effects of gold nanoparticles with ionizing radiation. PMID:24899803

Optimal energy for cell radiosensitivity enhancement by gold nanoparticles using synchrotron-based monoenergetic photon beams.

PubMed

Rahman, Wan Nordiana; Corde, Stéphanie; Yagi, Naoto; Abdul Aziz, Siti Aishah; Annabell, Nathan; Geso, Moshi

2014-01-01

Gold nanoparticles have been shown to enhance radiation doses delivered to biological targets due to the high absorption coefficient of gold atoms, stemming from their high atomic number (Z) and physical density. These properties significantly increase the likelihood of photoelectric effects and Compton scattering interactions. Gold nanoparticles are a novel radiosensitizing agent that can potentially be used to increase the effectiveness of current radiation therapy techniques and improve the diagnosis and treatment of cancer. However, the optimum radiosensitization effect of gold nanoparticles is strongly dependent on photon energy, which theoretically is predicted to occur in the kilovoltage range of energy. In this research, synchrotron-generated monoenergetic X-rays in the 30-100 keV range were used to investigate the energy dependence of radiosensitization by gold nanoparticles and also to determine the photon energy that produces optimum effects. This investigation was conducted using cells in culture to measure dose enhancement. Bovine aortic endothelial cells with and without gold nanoparticles were irradiated with X-rays at energies of 30, 40, 50, 60, 70, 81, and 100 keV. Trypan blue exclusion assays were performed after irradiation to determine cell viability. Cell radiosensitivity enhancement was indicated by the dose enhancement factor which was found to be maximum at 40 keV with a value of 3.47. The dose enhancement factor obtained at other energy levels followed the same direction as the theoretical calculations based on the ratio of the mass energy absorption coefficients of gold and water. This experimental evidence shows that the radiosensitization effect of gold nanoparticles varies with photon energy as predicted from theoretical calculations. However, prediction based on theoretical assumptions is sometimes difficult due to the complexity of biological systems, so further study at the cellular level is required to fully characterize the effects of gold nanoparticles with ionizing radiation.

Theoretical study of the self-assembly of Janus Bottlebrush Polymers from A-Branch-B Diblock Macromonomers

NASA Astrophysics Data System (ADS)

Gadelrab, Karim; Alexander-Katz, Alfredo; LaboratoryTheoretical Soft Materials Team

The self-assembly of block copolymers BCP has provided an impressive control over the nanoscale structure of soft matter. While the main focus of the research in the field has been directed towards simple linear diblocks, the development of advanced polymer architecture provided improved performance and access to new structures. In particular, bottlebrush BCPs (BBCPs) have interesting characteristics due to their dense functionality, high molecular weight, low levels of entanglement, and tendency to efficiently undergo rapid bulk phase separation. In this work, we are interested in theoretically studying the self-assembly of Janus-type ``A-branch-B'' BBCPs where A and B blocks can phase separate with the bottlebrush polymer backbone serving as the interface between the two blocks. Hence, the polymer backbone adds an extra constraint on the equilibrium spacing between neighboring linear diblock chains. In this regard, the segment length of the backbone separating the AB junctions has a direct effect of the observed domain spacing and effective segregation strength of the AB blocks. We employ self-consistent field theoretic SCFT simulations to capture the effect of volume fraction of different constituents and construct a phase diagram of the accessible morphologies of these BBCPs.

A theoretical study of the reaction of Ti+ with ethane

NASA Astrophysics Data System (ADS)

Moc, Jerzy; Fedorov, Dmitri G.; Gordon, Mark S.

2000-06-01

The doublet and quartet potential energy surfaces for the Ti++C2H6→TiC2H4++H2 and Ti++C2H6→TiCH2++CH4 reactions are studied using density functional theory (DFT) with the B3LYP functional and ab initio coupled cluster CCSD(T) methods with high quality basis sets. Structures have been optimized at the DFT level and the minima connected to each transition state (TS) by following the intrinsic reaction coordinate (IRC). Relative energies are calculated both at the DFT and coupled-cluster levels of theory. The relevant parts of the potential energy surface, especially key transition states, are also studied using multireference wave functions with the final energetics obtained with multireference second-order perturbation theory.

Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

NASA Astrophysics Data System (ADS)

Moral, Mónica; García, Gregorio; Peñas, Antonio; Garzón, Andrés; Granadino-Roldán, José M.; Melguizo, Manuel; Fernández-Gómez, Manuel

2012-10-01

This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph2Tz) and some oligomeric derivatives. Ph2Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV-Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

High-altitude diving in river otters: coping with combined hypoxic stresses.

PubMed

Crait, Jamie R; Prange, Henry D; Marshall, Noah A; Harlow, Henry J; Cotton, Clark J; Ben-David, Merav

2012-01-15

River otters (Lontra canadensis) are highly active, semi-aquatic mammals indigenous to a range of elevations and represent an appropriate model for assessing the physiological responses to diving at altitude. In this study, we performed blood gas analyses and compared blood chemistry of river otters from a high-elevation (2357 m) population at Yellowstone Lake with a sea-level population along the Pacific coast. Comparisons of oxygen dissociation curves (ODC) revealed no significant difference in hemoglobin-oxygen (Hb-O(2)) binding affinity between the two populations - potentially because of demands for tissue oxygenation. Instead, high-elevation otters had greater Hb concentrations (18.7 g dl(-1)) than sea-level otters (15.6 g dl(-1)). Yellowstone otters displayed higher levels of the vasodilator nitric oxide (NO), and half the concentration of the serum protein albumin, possibly to compensate for increased blood viscosity. Despite compensation in several hematological and serological parameters, theoretical aerobic dive limits (ADL) were similar between high-elevation and sea-level otters because of the lower availability of O(2) at altitude. Our results suggest that recent disruptions to the Yellowstone Lake food web could be detrimental to otters because at this high elevation, constraints on diving may limit their ability to switch to prey in a deep-water environment.

Cyberbullying Victimization, Self-Esteem and Suicidal Ideation in Adolescence: Does Emotional Intelligence Play a Buffering Role?

PubMed Central

Extremera, Natalio; Quintana-Orts, Cirenia; Mérida-López, Sergio; Rey, Lourdes

2018-01-01

Cyberbullying has been linked to social, physical and psychological problems for adolescent victims but there has been no analysis of the specific role of emotional intelligence in protecting against the negative symptoms associated with cyberbullying victimization. This study examined the interaction between cyberbullying victimization and emotional intelligence (EI) as predictors of psychological maladjustment (operationalized as high suicidal ideation and low self-esteem) in 1,660 Spanish adolescents. We also investigated whether levels of EI moderated the relationship between cyberbullying victimization and mental health problems. The cyberbullying victimization x EI interaction contributed to variance in suicidal ideation and self-esteem in our sample of adolescent victims. Adolescent victims of cyberbullying with high EI scores reported lower suicidal ideation and higher self-esteem than their less emotionally intelligent counterparts. Thus, our data provide empirical support for theoretical and conceptual work connecting victimization, EI abilities and mental health associated with cyberbullying. This suggests that alone, but also in combination, EI may be particularly relevant in leading to increased levels of mental health issues in cyberbullying victims. Finally, the theoretical implications of our findings on the relationship between these variables and the mental health issues of adolescent victims of cyberbullying are discussed. PMID:29623058

Effective Detection of Mycotoxins by a Highly Luminescent Metal–Organic Framework

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

Hu, Zhichao; Lustig, William P.; Zhang, Jingming

In this paper, we designed and synthesized a new luminescent metal–organic framework (LMOF). LMOF-241 is highly porous and emits strong blue light with high efficiency. We demonstrate for the first time that very fast and extremely sensitive optical detection can be achieved, making use of the fluorescence quenching of an LMOF material. The compound is responsive to Aflatoxin B1 at parts per billion level, which makes it the best performing luminescence-based chemical sensor to date. We studied the electronic properties of LMOF-241 and selected mycotoxins, as well as the extent of mycotoxin–LMOF interactions, employing theoretical methods. Finally, possible electron andmore » energy transfer mechanisms are discussed.« less

Effective Detection of Mycotoxins by a Highly Luminescent Metal–Organic Framework

DOE PAGES

Hu, Zhichao; Lustig, William P.; Zhang, Jingming; ...

2015-12-11

In this paper, we designed and synthesized a new luminescent metal–organic framework (LMOF). LMOF-241 is highly porous and emits strong blue light with high efficiency. We demonstrate for the first time that very fast and extremely sensitive optical detection can be achieved, making use of the fluorescence quenching of an LMOF material. The compound is responsive to Aflatoxin B1 at parts per billion level, which makes it the best performing luminescence-based chemical sensor to date. We studied the electronic properties of LMOF-241 and selected mycotoxins, as well as the extent of mycotoxin–LMOF interactions, employing theoretical methods. Finally, possible electron andmore » energy transfer mechanisms are discussed.« less

Atmospheric parameterization schemes for satellite cloud property retrieval during FIRE IFO 2

NASA Technical Reports Server (NTRS)

Titlow, James; Baum, Bryan A.

1993-01-01

Satellite cloud retrieval algorithms generally require atmospheric temperature and humidity profiles to determine such cloud properties as pressure and height. For instance, the CO2 slicing technique called the ratio method requires the calculation of theoretical upwelling radiances both at the surface and a prescribed number (40) of atmospheric levels. This technique has been applied to data from, for example, the High Resolution Infrared Radiometer Sounder (HIRS/2, henceforth HIRS) flown aboard the NOAA series of polar orbiting satellites and the High Resolution Interferometer Sounder (HIS). In this particular study, four NOAA-11 HIRS channels in the 15-micron region are used. The ratio method may be applied to various channel combinations to estimate cloud top heights using channels in the 15-mu m region. Presently, the multispectral, multiresolution (MSMR) scheme uses 4 HIRS channel combination estimates for mid- to high-level cloud pressure retrieval and Advanced Very High Resolution Radiometer (AVHRR) data for low-level (is greater than 700 mb) cloud level retrieval. In order to determine theoretical upwelling radiances, atmospheric temperature and water vapor profiles must be provided as well as profiles of other radiatively important gas absorber constituents such as CO2, O3, and CH4. The assumed temperature and humidity profiles have a large effect on transmittance and radiance profiles, which in turn are used with HIRS data to calculate cloud pressure, and thus cloud height and temperature. For large spatial scale satellite data analysis, atmospheric parameterization schemes for cloud retrieval algorithms are usually based on a gridded product such as that provided by the European Center for Medium Range Weather Forecasting (ECMWF) or the National Meteorological Center (NMC). These global, gridded products prescribe temperature and humidity profiles for a limited number of pressure levels (up to 14) in a vertical atmospheric column. The FIRE IFO 2 experiment provides an opportunity to investigate current atmospheric profile parameterization schemes, compare satellite cloud height results using both gridded products (ECMWF) and high vertical resolution sonde data from the National Weather Service (NWS) and Cross Chain Loran Atmospheric Sounding System (CLASS), and suggest modifications in atmospheric parameterization schemes based on these results.

Sense of coherence and its association with exposure to traumatic events, posttraumatic stress disorder, and depression in eastern Democratic Republic of Congo.

PubMed

Pham, Phuong N; Vinck, Patrick; Kinkodi, Didine Kaba; Weinstein, Harvey M

2010-06-01

The Democratic Republic of Congo is the scene of some of the worst atrocities in recent history. However, in the face of traumatic experience, only a minority of people develops symptoms that impair their functioning. The sense of coherence proposed by Antonovsky (1987) is a theoretical construct reflecting an individual's overall wellbeing and ability to cope with stress. This study explores the relationships between sense of coherence, exposure to traumatic events, symptoms of posttraumatic stress disorder (PTSD), and depression. Results suggest an association between a high sense of coherence and high education levels, high income, and positive social relationships. Furthermore, the study found that sense of coherence is inversely correlated with cumulative exposure to violence and symptoms of PTSD and depression.

Particle Physics in High School: A Diagnose Study

PubMed Central

Solbes, Jordi

2016-01-01

The science learning process improves when the contents are connected to students’ lives. Particle physics has had a great impact in our society in the last years and has changed the theoretical picture about matter fundamental dynamics. Thus, we think that academic contents about matter components and interactions should be updated. With this study we aim to characterize the level of knowledge of high school students about this topic. We built a test with questions about classical atomic models, particle physics, recent discoveries, social implications and students opinions about it. Contrary to our first suspicion, students’ answers show a high variability. They have new physics ideas and show a great interest towards modern concepts. We suggest including an updated view of this topic as part of the curriculum. PMID:27253377

Particle Physics in High School: A Diagnose Study.

PubMed

Tuzón, Paula; Solbes, Jordi

2016-01-01

The science learning process improves when the contents are connected to students' lives. Particle physics has had a great impact in our society in the last years and has changed the theoretical picture about matter fundamental dynamics. Thus, we think that academic contents about matter components and interactions should be updated. With this study we aim to characterize the level of knowledge of high school students about this topic. We built a test with questions about classical atomic models, particle physics, recent discoveries, social implications and students opinions about it. Contrary to our first suspicion, students' answers show a high variability. They have new physics ideas and show a great interest towards modern concepts. We suggest including an updated view of this topic as part of the curriculum.

Fermi level dependence of hydrogen diffusivity in GaN

NASA Astrophysics Data System (ADS)

Polyakov, A. Y.; Smirnov, N. B.; Pearton, S. J.; Ren, F.; Theys, B.; Jomard, F.; Teukam, Z.; Dmitriev, V. A.; Nikolaev, A. E.; Usikov, A. S.; Nikitina, I. P.

2001-09-01

Hydrogen diffusion studies were performed in GaN samples with different Fermi level positions. It is shown that, at 350 °C, hydrogen diffusion is quite fast in heavily Mg doped p-type material with the Fermi level close to Ev+0.15 eV, considerably slower in high-resistivity p-GaN(Zn) with the Fermi level Ev+0.9 eV, while for conducting and semi-insulating n-GaN samples with the Fermi level in the upper half of the band gap no measurable hydrogen diffusion could be detected. For these latter samples it is shown that higher diffusion temperature of 500 °C and longer times (50 h) are necessary to incorporate hydrogen to appreciable depth. These findings are in line with previously published theoretical predictions of the dependence of hydrogen interstitials formation in GaN on the Fermi level position.

An Atomistic-Scale Study for Thermal Conductivity and Thermochemical Compatibility in (DyY)Zr2O7 Combining an Experimental Approach with Theoretical Calculation.

PubMed

Qu, Liu; Choy, Kwang-Leong; Wheatley, Richard

2016-02-18

Ceramic oxides that have high-temperature capabilities can be deposited on the superalloy components in aero engines and diesel engines to advance engine efficiency and reduce fuel consumption. This paper aims to study doping effects of Dy(3+) and Y(3+)on the thermodynamic properties of ZrO2 synthesized via a sol-gel route for a better control of the stoichiometry, combined with molecular dynamics (MD) simulation for the calculation of theoretical properties. The thermal conductivity is investigated by the MD simulation and Clarke's model. This can improve the understanding of the microstructure and thermodynamic properties of (DyY)Zr2O7 (DYZ) at the atomistic level. The phonon-defect scattering and phonon-phonon scattering processes are investigated via the theoretical calculation, which provides an effective way to study thermal transport properties of ionic oxides. The measured and predicted thermal conductivity of DYZ is lower than that of 4 mol % Y2O3 stabilized ZrO2 (4YSZ). It is discovered that DYZ is thermochemically compatible with Al2O3 at 1300 °C, whereas at 1350 °C DYZ reacts with Al2O3 forming a small amount of new phases.

An Atomistic-Scale Study for Thermal Conductivity and Thermochemical Compatibility in (DyY)Zr2O7 Combining an Experimental Approach with Theoretical Calculation

PubMed Central

Qu, Liu; Choy, Kwang-Leong; Wheatley, Richard

2016-01-01

Ceramic oxides that have high-temperature capabilities can be deposited on the superalloy components in aero engines and diesel engines to advance engine efficiency and reduce fuel consumption. This paper aims to study doping effects of Dy3+ and Y3+on the thermodynamic properties of ZrO2 synthesized via a sol-gel route for a better control of the stoichiometry, combined with molecular dynamics (MD) simulation for the calculation of theoretical properties. The thermal conductivity is investigated by the MD simulation and Clarke’s model. This can improve the understanding of the microstructure and thermodynamic properties of (DyY)Zr2O7 (DYZ) at the atomistic level. The phonon-defect scattering and phonon-phonon scattering processes are investigated via the theoretical calculation, which provides an effective way to study thermal transport properties of ionic oxides. The measured and predicted thermal conductivity of DYZ is lower than that of 4 mol % Y2O3 stabilized ZrO2 (4YSZ). It is discovered that DYZ is thermochemically compatible with Al2O3 at 1300 °C, whereas at 1350 °C DYZ reacts with Al2O3 forming a small amount of new phases. PMID:26888438

High Fidelity Simulation Experience in Emergency settings: doctors and nurses satisfaction levels.

PubMed

Calamassi, Diletta; Nannelli, Tiziana; Guazzini, Andrea; Rasero, Laura; Bambi, Stefano

2016-11-22

Lots of studies describe High Fidelity Simulation (HFS) as an experience well-accepted by the learners. This study has explored doctors and nurses satisfaction levels during HFS sessions, searching the associations with the setting of simulation events (simulation center or on the field simulation). Moreover, we studied the correlation between HFS experience satisfaction levels and the socio-demographic features of the participants. Mixed method study, using the Satisfaction of High-Fidelity Simulation Experience (SESAF) questionnaire through an online survey. SESAF was administered to doctors and nurses who previously took part to HFS sessions in a simulation center or in the field. Quantitative data were analyzed through descriptive and inferential statistics methods; qualitative data was performed through the Giorgi method. 143 doctors and 94 nurses filled the questionnaire. The satisfaction level was high: on a 10 points scale, the mean score was 8.17 (SD±1.924). There was no significant difference between doctors and nurses satisfaction levels in almost all the SESAF factors. We didn't find any correlation between gender and HFS experience satisfaction levels. The knowledge of theoretical aspects of the simulated case before the HFS experience is related to a higher general satisfaction (r=0.166 p=0.05), a higher effectiveness of debriefing (r=0,143 p=0,05), and a higher professional impact (r=0.143 p=0.05). The respondents that performed a HFS on the field, were more satisfied than the others, and experienced a higher "professional impact", "clinical reasoning and self efficacy", and "team dynamics" (p< 0,01). Narrative data suggest that HFS facilitators should improve their behaviors during the debriefing. Healthcare managers should extend the HFS to all kind of healthcare workers in real clinical settings. There is the need to improve and implement the communication competences of HFS facilitators.

Theory in Highly Cited Studies of Sexual Minority Parent Families: Variations and Implications.

PubMed

Farr, Rachel H; Tasker, Fiona; Goldberg, Abbie E

2017-01-01

This article includes a systematic review and citation analysis of the literature regarding sexual minority parent families, particularly attending to what theories have been used, and how. We consider the importance of theoretical frameworks for future research and implications for policy, practice, and law related to sexual minority parent families. Our review targets 30 highly cited studies located through Google Scholar (as an interdisciplinary search engine) and published within a specific timeframe (2005-2010). We highlight the dominant theoretical models employed across disciplines studying sexual minority parent families. Although the majority of studies reviewed referred to theoretical models or perspectives, explicit theoretical grounding was frequently lacking. Instead, the empirical work reviewed appeared to have a predominantly applied focus in addressing public debates on sexual minority parent families. We provide recommendations for how theory might be more fully integrated into the social science literature on sexual minority parents and their children.

An experimental and theoretical evaluation of increased thermal diffusivity phase change devices

NASA Technical Reports Server (NTRS)

White, S. P.; Golden, J. O.; Stermole, F. J.

1972-01-01

This study was to experimentally evaluate and mathematically model the performance of phase change thermal control devices containing high thermal conductivity metal matrices. Three aluminum honeycomb filters were evaluated at five different heat flux levels using n-oct-adecane as the test material. The system was mathematically modeled by approximating the partial differential equations with a three-dimensional implicit alternating direction technique. The mathematical model predicts the system quite well. All of the phase change times are predicted. The heating of solid phase is predicted exactly while there is some variation between theoretical and experimental results in the liquid phase. This variation in the liquid phase could be accounted for by the fact that there are some heat losses in the cell and there could be some convection in the experimental system.

Mediational Pathways Through Which Positive and Negative Emotionality Contribute to Anhedonic Symptoms of Depression: A Prospective Study of Adolescents

PubMed Central

Hankin, Benjamin L.

2009-01-01

This study takes a developmental psychopathological approach to examine mechanisms through which baseline levels of positive emotionality (PE) and negative emotionality (NE) prospectively predict increases in anhedonic depressive symptoms in a community sample of 350 adolescents (6th–10th graders). Dependent stressors mediated the relationship between baseline levels of NE and anhedonic depressive symptoms after controlling for initial symptoms. Supportive relationships mediated the relationship between baseline levels of PE and anhedonic depressive symptoms, after controlling for baseline symptoms. In addition, NE × PE interacted to predict later anhedonic depressive symptoms, such that adolescents with low levels of PE and high levels of NE experienced the greatest increase in anhedonic depressive symptoms. Last, supportive relationships interacted with baseline PE to predict prospective changes in anhedonic depressive symptoms, such that adolescents with low PE and low supportive relationships experienced the greatest increase in anhedonic depressive symptoms. Results are discussed in terms of current theoretical models of the link between temperament and depression. PMID:19184402

Experimental, Theoretical and Computational Studies of Plasma-Based Concepts for Future High Energy Accelerators

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

Joshi, Chan; Mori, W.

2013-10-21

This is the final report on the DOE grant number DE-FG02-92ER40727 titled, “Experimental, Theoretical and Computational Studies of Plasma-Based Concepts for Future High Energy Accelerators.” During this grant period the UCLA program on Advanced Plasma Based Accelerators, headed by Professor C. Joshi has made many key scientific advances and trained a generation of students, many of whom have stayed in this research field and even started research programs of their own. In this final report however, we will focus on the last three years of the grant and report on the scientific progress made in each of the four tasksmore » listed under this grant. Four tasks are focused on: Plasma Wakefield Accelerator Research at FACET, SLAC National Accelerator Laboratory, In House Research at UCLA’s Neptune and 20 TW Laser Laboratories, Laser-Wakefield Acceleration (LWFA) in Self Guided Regime: Experiments at the Callisto Laser at LLNL, and Theory and Simulations. Major scientific results have been obtained in each of the four tasks described in this report. These have led to publications in the prestigious scientific journals, graduation and continued training of high quality Ph.D. level students and have kept the U.S. at the forefront of plasma-based accelerators research field.« less

A study of the effects of English language proficiency and scientific reasoning skills on the acquisition of science content knowledge of Hispanic English language learners and native English language-speaking students participating in grade 10 science classes

NASA Astrophysics Data System (ADS)

Torres, Hector Neftali, Sr.

2000-11-01

The purpose of this study was to examine the effects of English language proficiency and levels of scientific reasoning skills of Hispanic English language learners and native English language speaking students on their acquisition of science content knowledge as measured by a state-wide standardized science test. The researcher studied a group of high school Hispanic English language learners and native English language speaking students participating in Grade 10 science classes. The language proficiency of the students was to be measured through the use of the Test of English as a Foreign Language (TOEFL) instrument. A Classroom Test of Scientific Reasoning developed by Lawson (1978) was administered in either English or Spanish to the group of Hispanic English language learners and in English to the group of native English language-speaking students in order to determine their levels of scientific reasoning skills. The students' acquisition of science content knowledge was measured through the use of statewide-standardized science test developed by the State's Department of Education. This study suggests that the levels of English language proficiency appear to influence the acquisition of science content knowledge of Hispanic English language learners in the study. The results of the study also suggest that with regards to scientific reasoning skills, students that showed high levels or reflective reasoning skills for the most part performed better on the statewide-standardized science test than students with intuitive or transitional reasoning skills. This assertion was supported by the studies conducted by Lawson and his colleagues, which showed that high levels of reasoning or reflective reasoning skills are prerequisite for most high school science courses. The findings in this study imply that high order English language proficiency combined with high levels of reasoning skills enhances students' abilities to learn science content subject matter. This lends support to Cummins' theoretical framework, which indicates that learning science content subject matter requires cognitive academic language proficiency (CALP). The study also indicates that CALP maybe the combination of high order English language proficiency and high levels of reasoning skills. (Abstract shortened by UMI.)

Association between prolonged breast-feeding and early childhood caries: a hierarchical approach.

PubMed

Nunes, Ana Margarida Melo; Alves, Claudia Maria Coelho; Borba de Araújo, Fernando; Ortiz, Tânia Mara Lopes; Ribeiro, Marizélia Rodrigues Costa; Silva, Antônio Augusto Moura da; Ribeiro, Cecília Claudia Costa

2012-12-01

This study was conducted to investigate the association between prolonged breastfeeding and early childhood caries(ECC) with adjustment for important confounders, using hieraschical approach. This retrospective cohort study involved 260 low-income children (18-42 months). The number of decayed teeth was used as a measure of caries. Following a theoretical framework, the hierarchical model was built in a forward fashion, by adding the following levels in succession: level 1: age; level 2: social variables; level 3: health variables; level 4: behavioral variables; level 5: oral hygiene-related variables; level 6: oral hygiene quality measured by visible plaque; and level 7: contamination by mutans streptococci. Sequential forward multiple Poisson regression analysis was employed. Breast-feeding was not a risk factor for ECC after adjustment for some confounders (incidence density ratio, 1.15; 95% confidence interval, 0.84-1.59, P = 0.363). Prolonged breast-feeding was not a risk factor for ECC while age, high sucrose comption between main meals and the quality of oral higiene were associated with disease in children. © 2012 John Wiley & Sons A/S.

Measurement of Responsibility: A Critical Evaluation of Level of Work Measurement by Time-Span of Discretion.

ERIC Educational Resources Information Center

Laner, S.; And Others

This report is a critical evaluation based on extended field trials and theoretical analysis of the time-span technique of measuring level of work in organizational hierarchies. It is broadly concluded that the technique does possess many of the desirable features claimed by its originator, but that earlier, less highly structured versions based…

Thermal Dissociation and Roaming Isomerization of Nitromethane: Experiment and Theory.

PubMed

Annesley, Christopher J; Randazzo, John B; Klippenstein, Stephen J; Harding, Lawrence B; Jasper, Ahren W; Georgievskii, Yuri; Ruscic, Branko; Tranter, Robert S

2015-07-16

The thermal decomposition of nitromethane provides a classic example of the competition between roaming mediated isomerization and simple bond fission. A recent theoretical analysis suggests that as the pressure is increased from 2 to 200 Torr the product distribution undergoes a sharp transition from roaming dominated to bond-fission dominated. Laser schlieren densitometry is used to explore the variation in the effect of roaming on the density gradients for CH3NO2 decomposition in a shock tube for pressures of 30, 60, and 120 Torr at temperatures ranging from 1200 to 1860 K. A complementary theoretical analysis provides a novel exploration of the effects of roaming on the thermal decomposition kinetics. The analysis focuses on the roaming dynamics in a reduced dimensional space consisting of the rigid-body motions of the CH3 and NO2 radicals. A high-level reduced-dimensionality potential energy surface is developed from fits to large-scale multireference ab initio calculations. Rigid body trajectory simulations coupled with master equation kinetics calculations provide high-level a priori predictions for the thermal branching between roaming and dissociation. A statistical model provides a qualitative/semiquantitative interpretation of the results. Modeling efforts explore the relation between the predicted roaming branching and the observed gradients. Overall, the experiments are found to be fairly consistent with the theoretically proposed branching ratio, but they are also consistent with a no-roaming scenario and the underlying reasons are discussed. The theoretical predictions are also compared with prior theoretical predictions, with a related statistical model, and with the extant experimental data for the decomposition of CH3NO2, and for the reaction of CH3 with NO2.

Main Factors of Teachers' Professional Well-Being

ERIC Educational Resources Information Center

Yildirim, Kamil

2014-01-01

The purpose of the study was to reveal the main factors of teachers' professional well being. Theoretically constructed model was tested on large scale data belong to 72.190 teachers working at lower secondary level. Theoretical model included teachers' individual, professional and organizational characteristics. Professional well-being…

Design Issues for Using Magnetic Materials in Radiation Environments at Elevated Temperature

NASA Technical Reports Server (NTRS)

Bowman, Cheryl L.

2013-01-01

One of the challenges of designing motors and alternators for use in nuclear powered space missions is accounting for the effects of radiation. Terrestrial reactor power plants use distance and shielding to minimize radiation damage but space missions must economize volume and mass. Past studies have shown that sufficiently high radiation levels can affect the magnetic response of hard and soft magnetic materials. Theoretical models explaining the radiation-induced degradation have been proposed but not verified. This paper reviews the literature and explains the cumulative effects of temperature, magnetic-load, and radiation-level on the magnetic properties of component materials. Magnetic property degradation is very specific to alloy choice and processing history, since magnetic properties are very much entwined with specific chemistry and microstructural features. However, there is basic theoretical as well as supportive experimental evidence that the negative impact to magnetic properties will be minimal if the bulk temperature of the material is less than fifty percent of the Curie temperature, the radiation flux is low, and the demagnetization field is small. Keywords: Magnets, Permanent Magnets, Power Converters, Nuclear Electric Power Generation, Radiation Tolerance.

Cognitive Processes and Learner Strategies in the Acquisition of Motor Skills

DTIC Science & Technology

1978-12-01

children: Capacity or processing deficits? Memory and Cognition, 1976, 4, 559-S72. Craik , F. I. M., & Lockhart , R. S. Levels of processing : A framework...learning and memory research. In F. I. M. Craik & L. S. Cermak (Eds.), Levels of processing and theories of memory. Hillsdale, N. J.: Erlbaum, 1978...functions. Cognitive activities are described at a highly theoretical (technical) level as well as in a pragmatic manner. Differences in processing

The cloning, characterization, and functional analysis of a gene encoding an isopentenyl diphosphate isomerase involved in triterpene biosynthesis in the Lingzhi or reishi medicinal mushroom Ganoderma lucidum (higher Basidiomycetes).

PubMed

Wu, Feng-Li; Shi, Liang; Yao, Jian; Ren, Ang; Zhou, Chao; Mu, Da-Shuai; Zhao, Ming-Wen

2013-01-01

An isopentenyl diphosphate isomerase (IDI) gene, GlIDI, was isolated from Ganoderma lucidum, which produces triterpenes through the mevalonate pathway. The open reading frame of GlIDI encodes a 252 amino acid polypeptide with a theoretical molecular mass of 28.71 kDa and a theoretical isoelectric point of 5.36. GlIDI is highly homologous to other fungal IDIs and contains conserved active residues and nudix motifs shared by the IDI protein family. The color complementation assay indicated that GlIDI can accelerate the accumulation of β-carotene and confirmed that the cloned complementary DNA encoded a functional GlIDI protein. Gene expression analysis showed that the GlIDI transcription level was relatively low in the mycelia and reached a relatively high level in the mushroom primordia. In addition, its expression level could be up-regulated by 254 µM methyl jasmonate. Our results suggest that this enzyme may play an important role in triterpene biosynthesis.

A Markov game theoretic data fusion approach for cyber situational awareness

NASA Astrophysics Data System (ADS)

Shen, Dan; Chen, Genshe; Cruz, Jose B., Jr.; Haynes, Leonard; Kruger, Martin; Blasch, Erik

2007-04-01

This paper proposes an innovative data-fusion/ data-mining game theoretic situation awareness and impact assessment approach for cyber network defense. Alerts generated by Intrusion Detection Sensors (IDSs) or Intrusion Prevention Sensors (IPSs) are fed into the data refinement (Level 0) and object assessment (L1) data fusion components. High-level situation/threat assessment (L2/L3) data fusion based on Markov game model and Hierarchical Entity Aggregation (HEA) are proposed to refine the primitive prediction generated by adaptive feature/pattern recognition and capture new unknown features. A Markov (Stochastic) game method is used to estimate the belief of each possible cyber attack pattern. Game theory captures the nature of cyber conflicts: determination of the attacking-force strategies is tightly coupled to determination of the defense-force strategies and vice versa. Also, Markov game theory deals with uncertainty and incompleteness of available information. A software tool is developed to demonstrate the performance of the high level information fusion for cyber network defense situation and a simulation example shows the enhanced understating of cyber-network defense.

Aging Well: Observations From the Women’s Health Initiative Study

PubMed Central

Rillamas-Sun, Eileen; Cochrane, Barbara B.; La Croix, Andrea Z.; Seeman, Teresa E.; Tindle, Hilary A.; Zaslavsky, Oleg; Bird, Chloe E.; Johnson, Karen C.; Manson, JoAnn E.; Ockene, Judith K.; Seguin, Rebecca A.; Wallace, Robert B.

2016-01-01

Abstract Background. As the proportion of the population aged 80 and over accelerates, so does the value of understanding the processes of aging well. The purposes of this article are to: (a) review contemporary theoretical and conceptual perspectives on aging well, (b) describe indicators of aging well that reflect key concepts and perspectives as assessed in the Women’s Health Initiative (WHI) and (c) characterize the status of aging among women aged 80 and older using data obtained from WHI participants at the WHI Extension 2 follow-up. Methods. Data from the Lifestyle Questionnaire, which was administered from 2011 to 2012 during the WHI Follow-up Study (Extension 2), were analyzed to provide a profile of the WHI cohort with respect to aging well. Results. Data revealed substantial diversity in the cohort with respect to the various measures of aging well. Although many reported physical functioning levels consistent with disability, most rated their health as good or better. Most reported moderately high levels of resilience, self-control, and self-mastery but lower levels of environmental mastery. Finally, the cohort reported high levels of optimal aging as reflected by their high levels of emotional well-being and moderately high levels of life satisfaction and social support, but more modest levels of personal growth and purpose in life. Conclusions. The wide range of some dimensions of aging well suggest that further examination of predictors of positive coping and resilience in the face of aging-related disability could identify opportunities to support and facilitate aging well among U.S. women. PMID:26858322

Absorption coefficients of silicon: A theoretical treatment

NASA Astrophysics Data System (ADS)

Tsai, Chin-Yi

2018-05-01

A theoretical model with explicit formulas for calculating the optical absorption and gain coefficients of silicon is presented. It incorporates direct and indirect interband transitions and considers the effects of occupied/unoccupied carrier states. The indirect interband transition is calculated from the second-order time-independent perturbation theory of quantum mechanics by incorporating all eight possible routes of absorption or emission of photons and phonons. Absorption coefficients of silicon are calculated from these formulas. The agreements and discrepancies among the calculated results, the Rajkanan-Singh-Shewchun (RSS) formula, and Green's data are investigated and discussed. For example, the RSS formula tends to overestimate the contributions of indirect transitions for cases with high photon energy. The results show that the state occupied/unoccupied effect is almost negligible for silicon absorption coefficients up to the onset of the optical gain condition where the energy separation of Quasi-Femi levels between electrons and holes is larger than the band-gap energy. The usefulness of using the physics-based formulas, rather than semi-empirical fitting ones, for absorption coefficients in theoretical studies of photovoltaic devices is also discussed.

Frequency quenching of microwave-induced resistance oscillations in a high-mobility two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Studenikin, S. A.; Sachrajda, A. S.; Gupta, J. A.; Wasilewski, Z. R.; Fedorych, O. M.; Byszewski, M.; Maude, D. K.; Potemski, M.; Hilke, M.; West, K. W.; Pfeiffer, L. N.

2007-10-01

The frequency dependence of microwave-induced resistance oscillations (MIROs) has been studied experimentally in high-mobility electron GaAs/AlGaAs structures to explore the limits at which these oscillations can be observed. It is found that in dc transport experiments at frequencies above 120GHz , MIROs start to quench, while above 230GHz , they completely disappear. The results will need to be understood theoretically but are qualitatively discussed within a model in which forced electronic charge oscillations (plasmons) play an intermediate role in the interaction process between the radiation and the single-particle electron excitations between Landau levels.

Increasing the statistical significance of entanglement detection in experiments.

PubMed

Jungnitsch, Bastian; Niekamp, Sönke; Kleinmann, Matthias; Gühne, Otfried; Lu, He; Gao, Wei-Bo; Chen, Yu-Ao; Chen, Zeng-Bing; Pan, Jian-Wei

2010-05-28

Entanglement is often verified by a violation of an inequality like a Bell inequality or an entanglement witness. Considerable effort has been devoted to the optimization of such inequalities in order to obtain a high violation. We demonstrate theoretically and experimentally that such an optimization does not necessarily lead to a better entanglement test, if the statistical error is taken into account. Theoretically, we show for different error models that reducing the violation of an inequality can improve the significance. Experimentally, we observe this phenomenon in a four-photon experiment, testing the Mermin and Ardehali inequality for different levels of noise. Furthermore, we provide a way to develop entanglement tests with high statistical significance.

Integration of health technology assessment recommendations into organizational and clinical practice: A case study in Catalonia.

PubMed

Gagnon, Marie-Pierre; Sánchez, Emília; Pons, Joan M V

2006-01-01

Evaluating the impact of recommendations based upon health technology assessment (HTA) represents a challenge for both HTA agencies and healthcare policy makers. This research sought to understand factors affecting the uptake of HTA recommendations to support decision making with respect to the introduction of three health technologies. Using a multidimensional framework, based upon a combination of theoretical models, a case study was conducted. A total of twenty-eight semistructured interviews were done with physicians from fifteen hospitals and other stakeholders in Catalonia. Interview content was analyzed iteratively and classified according to theoretical dimensions and contextual factors. At the sociopolitical level, factors related to the organization and financing of the health system were found to affect the utilization of HTA recommendations. At the healthcare organization level, existing collaborations between the hospital and the HTA agency favored the integration of recommendations into practices. Formalism in the organization also influenced the utilization of HTA recommendations. At the professional level, the high degree of autonomy of specialists, the importance of peers and collegial control, and the definition of professional roles and responsibilities influenced physicians' willingness to integrate HTA recommendations into their practice. This study offers a comprehensive framework to understand the complex dynamics that affect adoption of health technologies in organizational and professional practices. The findings suggest some avenues to promote the integration of HTA recommendations into practices and, thus, increase the utilization of scientific evidence to support decision making in health care.

Transactional Relations Between Marital Functioning and Depressive Symptoms

PubMed Central

Kouros, Chrystyna D.; Cummings, E. Mark

2012-01-01

The present study investigated dynamic, longitudinal associations between depressive symptoms and marital processes. Two hundred ninety-six couples reported on marital satisfaction, marital conflict, and depressive symptoms yearly for three years. Observational measures of marital conflict were also collected. Results suggested that different domains of marital functioning related to husbands’ versus wives’ symptoms. For husbands, transactional relations between marital satisfaction and depressive symptoms were identified: high levels of depressive symptoms predicted subsequent decreases in marital satisfaction, and decreased marital satisfaction predicted subsequent elevations in symptoms over time. For wives, high levels of marital conflict predicted subsequent elevations in symptoms over time. Cross-partner results indicated that husbands’ depressive symptoms were also related to subsequent declines in wives’ marital satisfaction. Results are discussed with regard to theoretical perspectives on the marital functioning-depression link and directions for future research are outlined. PMID:21219284

Adaptive change in self-concept and well-being during conjugal loss in later life.

PubMed

Montpetit, Mignon A; Bergeman, C S; Bisconti, Toni L; Rausch, Joseph R

2006-01-01

The present study examines the association between the self-concept and adaptation to conjugal loss; the primary aim was to explore whether those individuals high in self-esteem, environmental mastery, and optimism have more adaptive resources with which to ameliorate the detrimental sequelae of bereavement. Analyses were conducted on data collected from 58 widows every four months over a two-year period. One goal of the research was to explore the adequacy of the theoretically chosen operational definition of the self-concept; another goal was to analyze how changes in the level of self-concept components correlated with changes in levels of depression, health, and grief resolution as individuals adjusted to their losses. Analyses revealed that trajectories of depression and grief resolution were more highly related than health to changes in self-concept.

Coherent Population Trapping and Optical Ramsey Interference for Compact Rubidium Clock Development

NASA Astrophysics Data System (ADS)

Warren, Zachary Aron

Coherent population trapping (CPT) and optical Ramsey interference provide new avenues for developing compact, high-performance atomic clocks. In this work, I have studied the fundamental aspects of CPT and optical Ramsey interference for Raman clock development. This thesis research is composed of two parts: theoretical and experimental studies. The theoretical component of the research was initially based on pre-existing atomic models of a three-level ?-type system in which the phenomena of CPT and Ramsey interference are formed. This model served as a starting point for studying basic characteristics of CPT and Ramsey interference such as power dependence of CPT, effects of average detuning, and ground-state decoherence on linewidth, which directly impact the performance of the Raman clock. The basic three-level model was also used to model pulsed CPT excitation and measure light shift in Ramsey interference which imposes a fundamental limit on the long-term frequency stability of the Raman clock. The theoretical calculations illustrate reduction (or suppression) of light shift in Ramsey interference as an important advantage over CPT for Raman clock development. To make the model more accurate than an ideal three-level system, I developed a comprehensive atomic model using density-matrix equations including all sixteen Zeeman sublevels in the D1 manifold of 87Rb atoms in a vapor medium. The multi-level atomic model has been used for investigating characteristics of CPT and Ramsey interference under different optical excitation schemes pertaining to the polarization states of the frequency-modulated CPT beam in a Raman clock. It is also used to study the effects of axial and traverse magnetic fields on the contrast of CPT and Ramsey interference. More importantly, the multi-level atomic model is also used to accurately calculate light shift in Ramsey interference in the D1 manifold of 87Rb atoms by taking into account all possible off-resonant excitations and the ground-state decoherence among the Zeeman sublevels. Light shift suppression in Ramsey interference with pulse saturation is also found to be evident in this comprehensive model. In the experimental component of the research, I designed a prototype of the Raman clock using a small (2 cm in length), buffer-gas filled, and isotopically pure 87Rb cell. A fiber-coupled waveguide electro-optic modulator was used to generate the frequency-modulated CPT beam for the experiments. The experimental setup was operated either by continuous excitation or pulsed excitation for experimentally characterizing CPT and Ramsey interference under different experimental conditions and for testing different optical excitation schemes which were investigated theoretically. Several iterations of the clock physics package were developed in order to attain better frequency stability performance in the Raman clock. The experimental work also provided a basis to develop a new repeated-query technique for producing an ultra-narrow linewidth central fringe with a high S/N ratio, and suppressing the side fringes in Ramsey interference. The above described research was carried out keeping in mind compact, high-performance clock development, which relies on technologies that can be miniaturized. Vapor cell based atomic clocks are ideal candidates for compact clock technology. The CPT phenomenon, observed by Raman excitation in a vapor medium, is a promising candidate for compact, high-performance Raman clock development. However, atom-field interaction involved in a vapor medium is often more complex than other media such as cold atom or atomic beam. It is difficult to model this interaction in order to predict its influence on CPT characteristics and, hence, the performance of the Raman clock. This dissertation addresses one such problem by developing a comprehensive atomic model to investigate light shift and modification of light shift in the Raman clock, particularly with pulsed excitation. It demonstrates a clear possibility of reducing (or suppressing) the light shift associated with Ramsey interference in a vapor medium for achieving higher frequency stability in the Raman clock. Additionally, theoretical comparisons of various optical excitation techniques have been calculated to demonstrate the relative strengths and weaknesses of different schemes for Raman clock development. (Abstract shortened by ProQuest.).

Modified nonlinear amplifying loop mirror for mode-locked fibre oscillators with record-high energy and high-average-power pulsed output

NASA Astrophysics Data System (ADS)

Kobtsev, Sergey; Ivanenko, Alexey; Smirnov, Sergey; Kokhanovsky, Alexey

2018-02-01

The present work proposes and studies approaches for development of new modified non-linear amplifying loop mirror (NALM) allowing flexible and dynamic control of their non-linear properties within a relatively broad range of radiation powers. Using two independently pumped active media in the loop reflector constitutes one of the most promising approaches to development of better NALM with nonlinear properties controllable independently of the intra-cavity radiation power. This work reports on experimental and theoretical studies of the proposed redesigned NALM allowing both a higher level of energy parameters of output generated by mode-locked fibre oscillators and new possibilities of switching among different mode-locked regimes.

Theoretical study of the characteristics of a continuous wave iron-doped ZnSe laser

NASA Astrophysics Data System (ADS)

Pan, Qikun; Chen, Fei; Xie, Jijiang; Wang, Chunrui; He, Yang; Yu, Deyang; Zhang, Kuo

2018-03-01

A theoretical model describing the dynamic process of a continuous-wave Fe2+:ZnSe laser is presented. The influence of some of the operating parameters on the output characteristics of an Fe2+:ZnSe laser is studied in detail. The results indicate that the temperature rise of the Fe2+:ZnSe crystal is significant with the use of a high power pump laser, especially for a high doped concentration of crystal. The optimal crystal length increases with decreasing the doped concentration of crystal, so an Fe2+:ZnSe crystal with simultaneous doping during growth is an attractive choice, which usually has a low doped concentration and long length. The laser pumping threshold is almost stable at low temperatures, but increases exponentially with a working temperature in the range of 180 K to room temperature. The main reason for this phenomenon is the short upper level lifetime and serious thermal temperature rise when the working temperature is higher than 180 K. The calculated optimum output mirror transmittance is about 35% and the performance of a continuous-wave Fe2+:ZnSe laser is more efficient at a lower operating temperature.

Organizational justice and mental health: a multi-level test of justice interactions.

PubMed

Fischer, Ronald; Abubakar, Amina; Arasa, Josephine Nyaboke

2014-04-01

We examine main and interaction effects of organizational justice at the individual and the organizational levels on general health in a Kenyan sample. We theoretically differentiate between two different interaction patterns of justice effects: buffering mechanisms based on trust versus intensifying explanations of justice interactions that involve psychological contract violations. Using a two-level hierarchical linear model with responses from 427 employees in 29 organizations, only interpersonal justice at level 1 demonstrated a significant main effect. Interactions between distributive and interpersonal justice at both the individual and the collective levels were found. The intensifying hypothesis was supported: the relationship between distributive justice and mental health problems was strongest when interpersonal justice was high. This contrasts with buffering patterns described in Western samples. We argue that justice interaction patterns shift depending on the economic conditions and sociocultural characteristics of employees studied. © 2013 International Union of Psychological Science.

Persecutory delusions and catastrophic worry in psychosis: developing the understanding of delusion distress and persistence.

PubMed

Startup, Helen; Freeman, Daniel; Garety, Philippa A

2007-03-01

In a recent theoretical account of persecutory delusions, it is suggested that anxiety and worry are important factors in paranoid experience [Freeman, D., Garety, P. A., Kuipers, E., Fowler, D., & Bebbington, P. E. (2002). A cognitive model of persecutory delusions. British Journal of Clinical Psychology, 41(4), 331-347]. In emotional disorders worry has been understood in terms of catastrophising. In the current study, the concept of catastrophising is applied for the first time with persecutory delusions. Thirty individuals with current persecutory delusions and 30 non-clinical controls participated in a cross-sectional study. The group with persecutory delusions was also followed up at 3 months to assess predictors of delusion persistence. At its most severe, 21% of individuals with persecutory delusions had clinical worry, 68% had levels of worry comparable with treatment seeking GAD patients. Further, high levels of anxiety, worry and catastrophising were associated with high levels of persecutory delusion distress and with the persistence of delusions over 3 months. If future research replicates these findings, worry reduction interventions for individuals with persecutory delusions may be warranted.

Adolescent Gender-Related Abuse, Androphilia, and HIV Risk Among Transfeminine People of Color in New York City

PubMed Central

Hwahng, Sel J.; Nuttbrock, Larry

2014-01-01

Public health research has indicated extremely high HIV seroprevalence (13–63%) among low-income transfeminine people of color of African, Latina, and Asian descent living in the U.S. This paper combines two data sets. One set is based on an ethnographic study (N=50, 120 hours of participant observation). The other set longitudinal quantitative study (baseline N=600, N=275 followed for 3 years). Transfeminine people of color are much more likely to be androphilic and at high HIV risk. A greater understanding of adolescent gender-related abuse and trauma-impacted androphilia contributes towards a holistic conceptual model of HIV risk. A theoretical model is proposed that incorporates findings from both studies and integrates sociostructural, interpersonal, and intrapsychic levels of HIV risk. PMID:24294927

Theoretical study for aerial image intensity in resist in high numerical aperture projection optics and experimental verification with one-dimensional patterns

NASA Astrophysics Data System (ADS)

Shibuya, Masato; Takada, Akira; Nakashima, Toshiharu

2016-04-01

In optical lithography, high-performance exposure tools are indispensable to obtain not only fine patterns but also preciseness in pattern width. Since an accurate theoretical method is necessary to predict these values, some pioneer and valuable studies have been proposed. However, there might be some ambiguity or lack of consensus regarding the treatment of diffraction by object, incoming inclination factor onto image plane in scalar imaging theory, and paradoxical phenomenon of the inclined entrance plane wave onto image in vector imaging theory. We have reconsidered imaging theory in detail and also phenomenologically resolved the paradox. By comparing theoretical aerial image intensity with experimental pattern width for one-dimensional pattern, we have validated our theoretical consideration.

Spectroscopic Study of Neon Z-Pinch Plasma for Sodium-Neon Photopumping Experiments

DTIC Science & Technology

1992-01-06

enhancement of the 11-A radiation from the n=4 level of neon when the sodium pump was present. For the 25-GV pump power, theoretical calculations predict...when the neon plasma is photopumped. Extensive theoretical analysis has been devoted to establishing the appropriate conditions for these plasmas. 5 ,44...producing thermonuclear neutrons. 63-65 Extensive theoretical modeling of the stability of these plasmas has guided this work.66 An imploding-liner Z

Dependence of phonatory effort on hydration level.

PubMed

Verdolini, K; Titze, I R; Fennell, A

1994-10-01

In this study, a double-blind placebo-controlled approach was used to assess the relation between hydration level and phonatory effort. Twelve adult, untrained voice users with normal voices participated as subjects. Each subject received a 4-hour hydration treatment, a 4-hour dehydration treatment, and a 4-hour placebo (control) treatment. Following each treatment, phonatory effort was measured with a physiological measure, phonation threshold pressure (PTP), and with a psychological measure, direct magnitude estimation of perceived phonatory effort (DMEPPE). Summarizing the results across these measures, the findings indicated an inverse relation between phonatory effort and hydration level, but primarily for high-pitched phonation tasks. The findings for PTPs replicated those from an earlier study conducted without double-blind experimental manipulations (Verdolini-Marston, Titze, & Druker, 1990). Theoretical discussion focuses on the possible role of vocal fold tissue viscosity for hydration and dehydration effects, although direct measures of tissue viscosity are lacking.

Facebook's Spiral of Silence and Participation: The Role of Political Expression on Facebook and Partisan Strength in Political Participation.

PubMed

Kim, Mihee

2016-12-01

This study investigated how Facebook's spiral of silence influences political participation. For doing so, this study focused on the roles of politically expressive activities on Facebook and individuals' levels of partisan strength. An online survey (N = 277) was conducted with Facebook users. Results showed that a perceived hostile opinion climate on Facebook was negatively associated with political expression on Facebook, which, in turn, was positively related with political participation. This indirect relationship was conditioned by the degree of Facebook users' partisan strength. Those with weak or moderate levels of partisan strength were less likely to express their minority views, which led to decrease their political participation in the real world. Such indirect relationship was not the case for those with high levels of partisan strength. Theoretical and political implications of these findings were discussed.

Employee customer orientation in context: how the environment moderates the influence of customer orientation on performance outcomes.

PubMed

Grizzle, Jerry W; Zablah, Alex R; Brown, Tom J; Mowen, John C; Lee, James M

2009-09-01

This empirical study evaluated the moderating effects of unit customer orientation (CO) climate and climate strength on the relationship between service workers' level of CO and their performance of customer-oriented behaviors (COBs). In addition, the study examined whether aggregate COB performance influences unit profitability. Building on multisource, multilevel data, the study's results suggest that the influence of employee CO on employee COB performance is positive when the unit's CO climate is relatively high and that the constructs are unrelated when unit CO climate is relatively low. In addition, the data reveal that unit COB performance influences unit profitability by enhancing revenues without a concomitant increase in costs. The study's results underscore the theoretical importance of considering cross-level influencers of employee-level relationships and suggest that managers should focus on creating a climate that is supportive of COBs if their units are to profit from the recruitment, hiring, and retention of customer-oriented employees.

Influence of range-gated intensifiers on underwater imaging system SNR

NASA Astrophysics Data System (ADS)

Wang, Xia; Hu, Ling; Zhi, Qiang; Chen, Zhen-yue; Jin, Wei-qi

2013-08-01

Range-gated technology has been a hot research field in recent years due to its high effective back scattering eliminating. As a result, it can enhance the contrast between a target and its background and extent the working distance of the imaging system. The underwater imaging system is required to have the ability to image in low light level conditions, as well as the ability to eliminate the back scattering effect, which means that the receiver has to be high-speed external trigger function, high resolution, high sensitivity, low noise, higher gain dynamic range. When it comes to an intensifier, the noise characteristics directly restrict the observation effect and range of the imaging system. The background noise may decrease the image contrast and sharpness, even covering the signal making it impossible to recognize the target. So it is quite important to investigate the noise characteristics of intensifiers. SNR is an important parameter reflecting the noise features of a system. Through the use of underwater laser range-gated imaging prediction model, and according to the linear SNR system theory, the gated imaging noise performance of the present market adopted super second generation and generation Ⅲ intensifiers were theoretically analyzed. Based on the active laser underwater range-gated imaging model, the effect to the system by gated intensifiers and the relationship between the system SNR and MTF were studied. Through theoretical and simulation analysis to the image intensifier background noise and SNR, the different influence on system SNR by super second generation and generation Ⅲ ICCD was obtained. Range-gated system SNR formula was put forward, and compared the different effect influence on the system by using two kind of ICCDs was compared. According to the matlab simulation, a detailed analysis was carried out theoretically. All the work in this paper lays a theoretical foundation to further eliminating back scattering effect, improving image SNR, designing and manufacturing higher performance underwater range-gated imaging systems.

Diets high in total antioxidant capacity improve risk biomarkers of cardiovascular disease: a 9-month observational study among overweight/obese postmenopausal women.

PubMed

Wang, Ying; Yang, Meng; Lee, Sang-Gil; Davis, Catherine G; Koo, Sung I; Fernandez, Maria Luz; Volek, Jeff S; Chun, Ock K

2014-09-01

Previous studies have shown that total antioxidant capacity (TAC) of typical diets is associated with higher plasma TAC and antioxidant enzyme activities. At present, however, little is known for the association between dietary TAC and inflammatory biomarkers. The present study was designed to examine the association between dietary TAC and inflammatory biomarkers in a group of overweight/obese postmenopausal women, a population with high cardiovascular disease (CVD) risk, during a 9-month period. Thirty-five postmenopausal, overweight or obese, but apparently healthy women aged 40-70 years were recruited for a 9-month observational study. Seven-day food records and 12-h fasting blood samples were collected at baseline and at the end of the study for dietary and plasma biomarker assessments. Dietary TAC was calculated theoretically for taking account of both diet and dietary supplements, and energy-adjusted values were obtained using residual method. At baseline, subjects consuming diets with high dietary TAC had lower levels of plasma C-reactive protein (CRP) and monocyte chemoattractant protein-1 (p < 0.05) compared with those with low dietary TAC. Over the 9-month period, change in dietary TAC had a negative partial correlation with plasma CRP levels (p < 0.01) when age, ethnicity, and changes in BMI, blood total cholesterol and triglyceride were adjusted. Findings suggest that consumption of diets high in TAC are inversely associated with plasma CRP levels cross-sectionally and dynamically and may contribute to CVD protection.

Influence of Multiple Infection and Relatedness on Virulence: Disease Dynamics in an Experimental Plant Population and Its Castrating Parasite

PubMed Central

Buono, Lorenza; López-Villavicencio, Manuela; Shykoff, Jacqui A.; Snirc, Alodie; Giraud, Tatiana

2014-01-01

The level of parasite virulence, i.e., the decrease in host's fitness due to a pathogen, is expected to depend on several parameters, such as the type of the disease (e.g., castrating or host-killing) and the prevalence of multiple infections. Although these parameters have been extensively studied theoretically, few empirical data are available to validate theoretical predictions. Using the anther smut castrating disease on Silene latifolia caused by Microbotryum lychnidis-dioicae, we studied the dynamics of multiple infections and of different components of virulence (host death, non-recovery and percentage of castrated stems) during the entire lifespan of the host in an experimental population. We monitored the number of fungal genotypes within plants and their relatedness across five years, using microsatellite markers, as well as the rates of recovery and host death in the population. The mean relatedness among genotypes within plants remained at a high level throughout the entire host lifespan despite the dynamics of the disease, with recurrent new infections. Recovery was lower for plants with multiple infections compared to plants infected by a single genotype. As expected for castrating parasites, M. lychnidis-dioicae did not increase host mortality. Mortality varied across years but was generally lower for plants that had been diseased the preceding year. This is one of the few studies to have empirically verified theoretical expectations for castrating parasites, and to show particularly i) that castrated hosts live longer, suggesting that parasites can redirect resources normally used in reproduction to increase host lifespan, lengthening their transmission phase, and ii) that multiple infections increase virulence, here in terms of non-recovery and host castration. PMID:24892951

Vulnerability assessment of water resources - Translating a theoretical concept to an operational framework using systems thinking approach in a changing climate: Case study in Ogallala Aquifer

NASA Astrophysics Data System (ADS)

Anandhi, Aavudai; Kannan, Narayanan

2018-02-01

Water is an essential natural resource. Among many stressors, altered climate is exerting pressure on water resource systems, increasing its demand and creating a need for vulnerability assessments. The overall objective of this study was to develop a novel tool that can translate a theoretical concept (vulnerability of water resources (VWR)) to an operational framework mainly under altered temperature and precipitation, as well as for population change (smaller extent). The developed tool had three stages and utilized a novel systems thinking approach. Stage-1: Translating theoretical concept to characteristics identified from studies; Stage-2: Operationalizing characteristics to methodology in VWR; Stage-3: Utilizing the methodology for development of a conceptual modeling tool for VWR: WR-VISTA (Water Resource Vulnerability assessment conceptual model using Indicators selected by System's Thinking Approach). The specific novelties were: 1) The important characteristics in VWR were identified in Stage-1 (target system, system components, scale, level of detail, data source, frameworks, and indicator); 2) WR-VISTA combined two vulnerability assessments frameworks: the European's Driver-Pressure-State-Impact-Response framework (DPSIR) and the Intergovernmental Panel on Climate Change's framework (IPCC's); and 3) used systems thinking approaches in VWR for indicator selection. The developed application was demonstrated in Kansas (overlying the High Plains region/Ogallala Aquifer, considered the "breadbasket of the world"), using 26 indicators with intermediate level of detail. Our results indicate that the western part of the state is vulnerable from agricultural water use and the eastern part from urban water use. The developed tool can be easily replicated to other regions within and outside the US.

A method for the compensation of the effects of surface cloth impressions on polar backscatter applied to porous epoxy and biaxial graphite/epoxy composites

NASA Technical Reports Server (NTRS)

Madaras, Eric I.; Bridal, S. L.; Holland, Mark R.; Handley, Scott M.; Miller, James G.

1993-01-01

The anisotropy of polar backscatter from graphite/epoxy composites is a potentially useful parameter for the characterization of porosity levels. However, the effects of release-cloth impressions on measured integrated polar backscatter levels are sufficient to inhibit the detection of porosity with this method. Recently, we developed a theoretical model to predict the frequency distribution of the backscattered power along the high-symmetry directions of release-cloth impressions. This study investigates experimentally the usefulness of limiting the bandwidth to regions not dominated by the scattering from the surface impressions, hence increasing the probability of detecting flaws such as porosity.

Development of a microlesson in teaching energy levels of atoms

NASA Astrophysics Data System (ADS)

Rodriguez, Cherilyn A.; Buan, Amelia T.

2018-01-01

Energy levels of atoms is one of the difficult topics in understanding atomic structure of matter. It appears tobe abstract, theoretical and needs visual representation and images. Hence, in this study a microlesson in teaching the high school chemistry concept on the energy levels of atoms is developed and validated. The researchers utilized backward curriculum design in planning the microlesson to meet the standards of the science K-12 curriculum. The planning process of the microlesson involved a) Identifying the learning competencies in K-12 science curriculum b) write learning objectives c) planning of assessment tools d) making a storyboard e) designing the microlesson and validate and revise the microlesson. The microlesson made use of varied resources in the internet from which the students accessed and collected information about energy levels of atoms. Working in groups, the students synthesized the information on how and why fireworks produce various colors of light through a post card. Findings of the study showed that there was an increase of achievement in learning the content and the students were highly motivated to learn chemistry. Furthermore, the students perceived that the microlesson helped them to understand the chemistry concept through the use of appropriate multimedia activities.

Is it really theoretical? A review of sampling in grounded theory studies in nursing journals.

PubMed

McCrae, Niall; Purssell, Edward

2016-10-01

Grounded theory is a distinct method of qualitative research, where core features are theoretical sampling and constant comparative analysis. However, inconsistent application of these activities has been observed in published studies. This review assessed the use of theoretical sampling in grounded theory studies in nursing journals. An adapted systematic review was conducted. Three leading nursing journals (2010-2014) were searched for studies stating grounded theory as the method. Sampling was assessed using a concise rating tool. A high proportion (86%) of the 134 articles described an iterative process of data collection and analysis. However, half of the studies did not demonstrate theoretical sampling, with many studies declaring or indicating a purposive sampling approach throughout. Specific reporting guidelines for grounded theory studies should be developed to ensure that study reports describe an iterative process of fieldwork and theoretical development. © 2016 John Wiley & Sons Ltd.

Family-focused physical activity, diet and obesity interventions in African-American girls: a systematic review.

PubMed

Barr-Anderson, D J; Adams-Wynn, A W; DiSantis, K I; Kumanyika, S

2013-01-01

Obesity interventions that involve family members may be effective with racial/ethnic minority youth. This review assessed the nature and effectiveness of family involvement in obesity interventions among African-American girls aged 5-18 years, a population group with high rates of obesity. Twenty-six databases were searched between January 2011 and March 2012, yielding 27 obesity pilot or full-length prevention or treatment studies with some degree of family involvement and data specific to African-American girls. Interventions varied in type and level of family involvement, cultural adaptation, delivery format and behaviour change intervention strategies; most targeted parent-child dyads. Some similarities in approach based on family involvement were identified. The use of theoretical perspectives specific to African-American family dynamics was absent. Across all studies, effects on weight-related behaviours were generally promising but often non-significant. Similar conclusions were drawn for weight-related outcomes among the full-length randomized controlled trials. Many strategies appeared promising on face value, but available data did not permit inferences about whether or how best to involve family members in obesity prevention and treatment interventions with African-American girls. Study designs that directly compare different types and levels of family involvement and incorporate relevant theoretical elements may be an important next step. © 2012 The Authors. obesity reviews © 2012 International Association for the Study of Obesity.

Joint Entropy for Space and Spatial Frequency Domains Estimated from Psychometric Functions of Achromatic Discrimination

PubMed Central

Silveira, Vladímir de Aquino; Souza, Givago da Silva; Gomes, Bruno Duarte; Rodrigues, Anderson Raiol; Silveira, Luiz Carlos de Lima

2014-01-01

We used psychometric functions to estimate the joint entropy for space discrimination and spatial frequency discrimination. Space discrimination was taken as discrimination of spatial extent. Seven subjects were tested. Gábor functions comprising unidimensionalsinusoidal gratings (0.4, 2, and 10 cpd) and bidimensionalGaussian envelopes (1°) were used as reference stimuli. The experiment comprised the comparison between reference and test stimulithat differed in grating's spatial frequency or envelope's standard deviation. We tested 21 different envelope's standard deviations around the reference standard deviation to study spatial extent discrimination and 19 different grating's spatial frequencies around the reference spatial frequency to study spatial frequency discrimination. Two series of psychometric functions were obtained for 2%, 5%, 10%, and 100% stimulus contrast. The psychometric function data points for spatial extent discrimination or spatial frequency discrimination were fitted with Gaussian functions using the least square method, and the spatial extent and spatial frequency entropies were estimated from the standard deviation of these Gaussian functions. Then, joint entropy was obtained by multiplying the square root of space extent entropy times the spatial frequency entropy. We compared our results to the theoretical minimum for unidimensional Gábor functions, 1/4π or 0.0796. At low and intermediate spatial frequencies and high contrasts, joint entropy reached levels below the theoretical minimum, suggesting non-linear interactions between two or more visual mechanisms. We concluded that non-linear interactions of visual pathways, such as the M and P pathways, could explain joint entropy values below the theoretical minimum at low and intermediate spatial frequencies and high contrasts. These non-linear interactions might be at work at intermediate and high contrasts at all spatial frequencies once there was a substantial decrease in joint entropy for these stimulus conditions when contrast was raised. PMID:24466158

High-level theoretical characterization of the vinoxy radical (•CH2CHO) + O2 reaction

NASA Astrophysics Data System (ADS)

Weidman, Jared D.; Allen, Ryan T.; Moore, Kevin B.; Schaefer, Henry F.

2018-05-01

Numerous processes in atmospheric and combustion chemistry produce the vinoxy radical (•CH2CHO). To understand the fate of this radical and to provide reliable energies needed for kinetic modeling of such processes, we have examined its reaction with O2 using highly reliable theoretical methods. Utilizing the focal point approach, the energetics of this reaction and subsequent reactions were obtained using coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)] extrapolated to the complete basis set limit. These extrapolated energies were appended with several corrections including a treatment of full triples and connected quadruple excitations, i.e., CCSDT(Q). In addition, this study models the initial vinoxy radical + O2 reaction for the first time with multireference methods. We predict a barrier for this reaction of approximately 0.4 kcal mol-1. This result agrees with experimental findings but is in disagreement with previous theoretical studies. The vinoxy radical + O2 reaction produces a 2-oxoethylperoxy radical which can undergo a number of unimolecular reactions. Abstraction of a β-hydrogen (a 1,4-hydrogen shift) and dissociation back to reactants are predicted to be competitive to each other due to their similar barriers of 21.2 and 22.3 kcal mol-1, respectively. The minimum-energy β-hydrogen abstraction pathway produces a hydroperoxy radical (QOOH) that eventually decomposes to formaldehyde, CO, and •OH. Two other unimolecular reactions of the peroxy radical are α-hydrogen abstraction (38.7 kcal mol-1 barrier) and HO2• elimination (43.5 kcal mol-1 barrier). These pathways lead to glyoxal + •OH and ketene + HO2• formation, respectively, but they are expected to be uncompetitive due to their high barriers.

Joint entropy for space and spatial frequency domains estimated from psychometric functions of achromatic discrimination.

PubMed

Silveira, Vladímir de Aquino; Souza, Givago da Silva; Gomes, Bruno Duarte; Rodrigues, Anderson Raiol; Silveira, Luiz Carlos de Lima

2014-01-01

We used psychometric functions to estimate the joint entropy for space discrimination and spatial frequency discrimination. Space discrimination was taken as discrimination of spatial extent. Seven subjects were tested. Gábor functions comprising unidimensionalsinusoidal gratings (0.4, 2, and 10 cpd) and bidimensionalGaussian envelopes (1°) were used as reference stimuli. The experiment comprised the comparison between reference and test stimulithat differed in grating's spatial frequency or envelope's standard deviation. We tested 21 different envelope's standard deviations around the reference standard deviation to study spatial extent discrimination and 19 different grating's spatial frequencies around the reference spatial frequency to study spatial frequency discrimination. Two series of psychometric functions were obtained for 2%, 5%, 10%, and 100% stimulus contrast. The psychometric function data points for spatial extent discrimination or spatial frequency discrimination were fitted with Gaussian functions using the least square method, and the spatial extent and spatial frequency entropies were estimated from the standard deviation of these Gaussian functions. Then, joint entropy was obtained by multiplying the square root of space extent entropy times the spatial frequency entropy. We compared our results to the theoretical minimum for unidimensional Gábor functions, 1/4π or 0.0796. At low and intermediate spatial frequencies and high contrasts, joint entropy reached levels below the theoretical minimum, suggesting non-linear interactions between two or more visual mechanisms. We concluded that non-linear interactions of visual pathways, such as the M and P pathways, could explain joint entropy values below the theoretical minimum at low and intermediate spatial frequencies and high contrasts. These non-linear interactions might be at work at intermediate and high contrasts at all spatial frequencies once there was a substantial decrease in joint entropy for these stimulus conditions when contrast was raised.

Theoretical and experimental vibrational spectroscopy study on rotational isomer of 4-phenylbutylamine

NASA Astrophysics Data System (ADS)

Ünal, A.; Okur, M.

2017-02-01

The possible four stable rotational isomers of 4-phenylbutylamine (4PBA) molecule were experimentally and theoretically studied by vibrational spectroscopy. The FT-IR (4000-400 cm-1) and Raman (3700-60 cm-1) spectra of 4PBA were recorded at room temperature in liquid phase. The complete vibrational wavenumbers and corresponding vibrational assignments of 4PBA molecule were discussed assisted with B3LYP/6-311++G(d,p) level of theory along with scaled quantum mechanics force field (SQM-FF) method. Results from experimental and theoretical data the most stable form of 4PBA molecule was obtained.

Development of a new colorimetric assay for detection of bisphenol-A in aqueous media using green synthesized silver chloride nanoparticles: experimental and theoretical study.

PubMed

Khalililaghab, Shiva; Momeni, Safieh; Farrokhnia, Maryam; Nabipour, Iraj; Karimi, Sadegh

2017-04-01

In the present study, a cost-effective, green and simple synthesis method was applied for preparation of stable silver chloride nanoparticles (AgCl-NPs). The method was done by forming AgCl-NPs from Ag + ions using aqueous extract of brown algae (Sargassum boveanum) obtained from the Persian Gulf Sea. This extract served as capping agent during the formation of AgCl-NPs. Creation of AgCl-NPs was confirmed by UV-visible spectroscopy, powder X-ray diffraction, energy-dispersive X-ray spectroscopy, and high-resolution transmission electron microscopy, while the morphology and size analyses were characterized using high-resolution transmission electron microscopy and dynamic light scattering. After optimization of some experimental conditions, particularly pH, a simple and facile system was developed for the naked-eye detection of bisphenol-A. Moreover, a theoretical study of AgCl interaction with bisphenol-A was performed at the density functional level of theory in both gas and solvent phases. Theoretical results showed that electrostatic and van der Waal interactions play important roles in complexation of bisphenol-A with AgCl-NPs, which can lead to aggregation of the as-prepared AgCl-NPs and results in color change from specific yellow to dark purple, where a new aggregation band induced at 542 nm appears. The absorbance at 542 nm was found to be linearly dependent on the bisphenol-A concentration in the range of 1 × 10 -6 -1 × 10 -4  M, with limit of detection of 45 nM. In conclusion, obtained results from the present study can open up an innovative application of the green synthesis of AgCl-NPs using brown algae extract as colorimetric sensors.

In situ synchrotron study of electromigration induced grain rotations in Sn solder joints

NASA Astrophysics Data System (ADS)

Shen, Hao; Zhu, Wenxin; Li, Yao; Tamura, Nobumichi; Chen, Kai

2016-04-01

Here we report an in situ study of the early stage of microstructure evolution induced by electromigration in a Pb-free β-Sn based solder joint by synchrotron polychromatic X-ray microdiffraction. With this technique, crystal orientation evolution is monitored at intragranular levels with high spatial and angular resolution. During the entire experiment, no crystal growth is detected, and rigid grain rotation is observed only in the two grains within the current crowding region, where high density and divergence of electric current occur. Theoretical calculation indicates that the trend of electrical resistance drop still holds under the present conditions in the grain with high electrical resistivity, while the other grain with low resistivity reorients to align its a-axis more parallel with the ones of its neighboring grains. A detailed study of dislocation densities and subgrain boundaries suggests that grain rotation in β-Sn, unlike grain rotation in high melting temperature metals which undergo displacive deformation, is accomplished via diffusional process mainly, due to the high homologous temperature.

Organizing principles as tools for bridging the gap between system theory and biological experimentation.

PubMed

Mekios, Constantinos

2016-04-01

Twentieth-century theoretical efforts towards the articulation of general system properties came short of having the significant impact on biological practice that their proponents envisioned. Although the latter did arrive at preliminary mathematical formulations of such properties, they had little success in showing how these could be productively incorporated into the research agenda of biologists. Consequently, the gap that kept system-theoretic principles cut-off from biological experimentation persisted. More recently, however, simple theoretical tools have proved readily applicable within the context of systems biology. In particular, examples reviewed in this paper suggest that rigorous mathematical expressions of design principles, imported primarily from engineering, could produce experimentally confirmable predictions of the regulatory properties of small biological networks. But this is not enough for contemporary systems biologists who adopt the holistic aspirations of early systemologists, seeking high-level organizing principles that could provide insights into problems of biological complexity at the whole-system level. While the presented evidence is not conclusive about whether this strategy could lead to the realization of the lofty goal of a comprehensive explanatory integration, it suggests that the ongoing quest for organizing principles is pragmatically advantageous for systems biologists. The formalisms postulated in the course of this process can serve as bridges between system-theoretic concepts and the results of molecular experimentation: they constitute theoretical tools for generalizing molecular data, thus producing increasingly accurate explanations of system-wide phenomena.

Measuring self-esteem in context: the importance of stability of self-esteem in psychological functioning.

PubMed

Kernis, Michael H

2005-12-01

In this article, I report on a research program that has focused on the joint roles of stability and level of self-esteem in various aspects of psychological functioning. Stability of self-esteem refers to the magnitude of short-term fluctuations that people experience in their current, contextually based feelings of self-worth. In contrast, level of self-esteem refers to representations of people's general, or typical, feelings of self-worth. A considerable amount of research reveals that self-esteem stability has predictive value beyond the predictive value of self-esteem level. Moreover, considering self-esteem stability provides one way to distinguish fragile from secure forms of high self-esteem. Results from a number of studies are presented and theoretical implications are discussed.

Hierarchy of models: From qualitative to quantitative analysis of circadian rhythms in cyanobacteria

NASA Astrophysics Data System (ADS)

Chaves, M.; Preto, M.

2013-06-01

A hierarchy of models, ranging from high to lower levels of abstraction, is proposed to construct "minimal" but predictive and explanatory models of biological systems. Three hierarchical levels will be considered: Boolean networks, piecewise affine differential (PWA) equations, and a class of continuous, ordinary, differential equations' models derived from the PWA model. This hierarchy provides different levels of approximation of the biological system and, crucially, allows the use of theoretical tools to more exactly analyze and understand the mechanisms of the system. The Kai ABC oscillator, which is at the core of the cyanobacterial circadian rhythm, is analyzed as a case study, showing how several fundamental properties—order of oscillations, synchronization when mixing oscillating samples, structural robustness, and entrainment by external cues—can be obtained from basic mechanisms.

Theoretical study on Curcumin: A comparison of calculated spectroscopic properties with NMR, UV vis and IR experimental data

NASA Astrophysics Data System (ADS)

Benassi, Rois; Ferrari, Erika; Lazzari, Sandra; Spagnolo, Ferdinando; Saladini, Monica

2008-12-01

The main target of this study is a high-level computational analysis of Curcumin, employing DFT approach with two different sets of basis functions (B3LYP/6-31G ∗ and B3LYP/6-311G ∗∗). Accurate quantum mechanical studies, both in vacuum and in methanol medium, are carried out with the aim to analyze the conformational equilibria, to find the most stable equilibrium structure and to define the nature of the molecular orbitals, fundamental to explain Curcumin binding characteristic. Our theoretical calculations, performed at B3LYP/6-31G ∗ and B3LYP/6-311G ∗∗ levels both in vacuum and in methanol medium, confirm that the keto-enolic forms are more stable than the di-keto one, whose extremely low population suggests that this structure should not influence Curcumin properties. Keto-enolic form C results the most stable, independently on calculation level and solvent (methanol) effect. HOMO and LUMO molecular orbitals are calculated for all the structures with the two sets of basis with very similar results. MEPs show that the negative charge is localized on the oxygen atoms, which, in the keto-enolic forms, point in the same direction enabling metal coordination. NMR, UV-vis and FT-IR experimental data are employed in the comparison with electronic and conformational properties of Curcumin resulting from theoretical calculations. The two different calculation levels (B3LYP/6-31G ∗ and B3LYP/6-311G ∗∗) give very similar results. Good linear correlations between the experimental 1H and 13C NMR chemical shifts ( δexp), in methanol- d4 (MeOD) and DMSO- d6 (DMSO), and calculated magnetic isotropic shielding tensors ( σcalc) are found ( δexp = a · σcalc + b). A good prediction of UV-vis experimental maximum absorption ( λmax) on the basis of conformer populations is obtained. A linear relation with a good correlation coefficient is observed plotting the FT-IR experimental wavenumbers vs . the calculated ones, allowing to predict FT-IR spectra.

Religious Attendance and Loneliness in Later Life

PubMed Central

Rote, Sunshine; Hill, Terrence D.; Ellison, Christopher G.

2013-01-01

Purpose of the Study:  Studies show that loneliness is a major risk factor for health issues in later life. Although research suggests that religious involvement can protect against loneliness, explanations for this general pattern are underdeveloped and undertested. In this paper, we propose and test a theoretical model, which suggests that social integration and social support are key mechanisms that link religious attendance and loneliness. Design and Methods:  To formally test our theoretical model, we use data from the National Social Life Health and Aging Project (2005/2006), a large national probability sample of older adults aged 57–85 years. Results:  We find that religious attendance is associated with higher levels of social integration and social support and that social integration and social support are associated with lower levels of loneliness. A series of mediation tests confirm our theoretical model. Implications:  Taken together, our results suggest that involvement in religious institutions may protect against loneliness in later life by integrating older adults into larger and more supportive social networks. Future research should test whether these processes are valid across theoretically relevant subgroups. PMID:22555887

High-level theoretical rovibrational spectroscopy beyond fc-CCSD(T): The C3 molecule.

PubMed

Schröder, Benjamin; Sebald, Peter

2016-01-28

An accurate local (near-equilibrium) potential energy surface (PES) is reported for the C3 molecule in its electronic ground state (X̃(1)Σg (+)). Special care has been taken in the convergence of the potential relative to high-order correlation effects, core-valence correlation, basis set size, and scalar relativity. Based on the aforementioned PES, several rovibrational states of all (12)C and (13)C substituted isotopologues have been investigated, and spectroscopic parameters based on term energies up to J = 30 have been calculated. Available experimental vibrational term energies are reproduced to better than 1 cm(-1) and rotational constants show relative errors of not more than 0.01%. The equilibrium bond length has been determined in a mixed experimental/theoretical approach to be 1.294 07(10) Å in excellent agreement with the ab initio composite value of 1.293 97 Å. Theoretical band intensities based on a newly developed electric dipole moment function also suggest that the infrared active (1, 1(1), 0)←(0, 0(0), 0) combination band might be observable by high-resolution spectroscopy.

High-resolution study of dynamical diffraction phenomena accompanying the Renninger (222/113) case of three-beam diffraction in silicon

PubMed Central

Kazimirov, A.; Kohn, V. G.

2010-01-01

X-ray optical schemes capable of producing a highly monochromatic beam with high angular collimation in both the vertical and horizontal planes have been evaluated and utilized to study high-resolution diffraction phenomena in the Renninger (222/113) case of three-beam diffraction in silicon. The effect of the total reflection of the incident beam into the nearly forbidden reflected beam was observed for the first time with the maximum 222 reflectivity at the 70% level. We have demonstrated that the width of the 222 reflection can be varied many times by tuning the azimuthal angle by only a few µrad in the vicinity of the three-beam diffraction region. This effect, predicted theoretically more than 20 years ago, is explained by the enhancement of the 222 scattering amplitude due to the virtual two-stage 000 113 222 process which depends on the azimuthal angle. PMID:20555185

The status of the concept of 'phoneme' in psycholinguistics.

PubMed

Uppstad, Per Henning; Tønnessen, Finn Egil

2010-10-01

The notion of the phoneme counts as a break-through of modern theoretical linguistics in the early twentieth century. It paved the way for descriptions of distinctive features at different levels in linguistics. Although it has since then had a turbulent existence across altering theoretical positions, it remains a powerful concept of a fundamental unit in spoken language. At the same time, its conceptual status remains highly unclear. The present article aims to clarify the status of the concept of 'phoneme' in psycholinguistics, based on the scientific concepts of description, understanding and explanation. Theoretical linguistics has provided mainly descriptions. The ideas underlying this article are, first, that these descriptions may not be directly relevant to psycholinguistics and, second, that psycholinguistics in this sense is not a sub-discipline of theoretical linguistics. Rather, these two disciplines operate with different sets of features and with different orientations when it comes to the scientific concepts of description, understanding and explanation.

An angle-by-angle approach to predicting broadband high-frequency sound fields in rectangular enclosures with experimental comparison.

PubMed

Franzoni, Linda P; Elliott, Christopher M

2003-10-01

Experiments were performed on an elongated rectangular acoustic enclosure with different levels of absorptive material placed on side walls and an end wall. The acoustic source was a broadband high-frequency sound from a loudspeaker flush-mounted to an end wall of the enclosure. Measurements of sound-pressure levels were averaged in cross sections of the enclosure and then compared to theoretical results. Discrepancies between the experimental results and theoretical predictions that treated all incidence angles as equally probable led to the development of an angle-by-angle approach. The new approach agrees well with the experimentally obtained values. In addition, treating the absorptive material as bulk reacting rather than point reacting was found to significantly change the theoretical value for the absorption coefficient and to improve agreement with experiment. The new theory refines an earlier theory based on power conservation and locally diffuse assumptions. Furthermore, the new theory includes both the angle of incidence effects on the resistive and reactive properties of the absorptive material, and the effects of angle filtering, i.e., that reflecting waves associated with shallow angles become relatively stronger than those associated with steep angles as a function of distance from the source.

Theoretical Analysis and Experimental Study on the Coating Removal from Passenger-Vehicle Plastics for Recycling by Using Water Jet Technology

NASA Astrophysics Data System (ADS)

Zhang, Hongshen; Chen, Ming

2015-11-01

The recovery and utilization of automotive plastics are a global concern because of the increasing number of end-of-life vehicles. In-depth studies on technologies for the removal of coatings from automotive plastics can contribute to the high value-added levels of the recycling and utilization of automotive plastic. The liquid waste generated by removing chemical paint by using traditional methods is difficult to handle and readily produces secondary pollution. Therefore, new, clean, and highly efficient techniques of paint removal must be developed. In this article, a method of coating removal from passenger-vehicle plastics was generated based on high-pressure water jet technology to facilitate the recycling of these plastics. The established technology was theoretically analyzed, numerically simulated, and experimentally studied. The high-pressure water jet equipment for the removal of automotive-plastic coatings was constructed through research and testing, and the detailed experiments on coating removal rate were performed by using this equipment. The results showed that high-pressure water jet technology can effectively remove coatings on the surfaces of passenger-vehicle plastics. The research also revealed that the coating removal rate increased as jet pressure ( P) increased and then decreased when jet moving speed ( Vn) increased. The rate decreased as the distance from nozzle to work piece ( S nw ) and the nozzle angle ( Φ) increased. The mathematical model for the rate of removal of coatings from bumper surfaces by water jet was derived based on the experiment data and can effectively predict coating removal rate under different operating conditions.

Intermediate-consumer identity and resources alter a food web with omnivory.

PubMed

Kneitel, Jamie M

2007-07-01

1. Omnivory is an important interaction that has been the centre of numerous theoretical and empirical studies in recent years. Most of these studies examine the conditions necessary for coexistence between an omnivore and an intermediate consumer. Trait variation in ecological interactions (competition and predator tolerance) among intermediate consumers has not been considered in previous empirical studies despite the evidence that variation in species-specific traits can have important community-level effects. 2. I conducted a multifactorial microcosm experiment using species from the Sarracenia purpurea phytotelmata community, organisms that inhabit the water collected within its modified leaves. The basal trophic level consisted of bacterial decomposers, the second trophic level (intermediate consumers) consisted of protozoa and rotifers, and the third trophic level (omnivore) were larvae of the pitcher plant mosquito Wyeomyia smithii. Trophic level number (1, 2 and 3), resources (low and high), omnivore density (low and high) and intermediate consumer (monoculture of five protozoa and rotifers) identity were manipulated. Abundance of the basal trophic level, intermediate consumers, and growth of the omnivore were measured, as well as time to extinction (intermediate consumers) and time to pupation (mosquito larvae). 3. The presence of different intermediate consumers affected both bacteria abundance and omnivore growth. At high resource levels, Poteriochromonas, Colpidium and Habrotrocha rosa reduced bacteria densities greater than omnivore reduction of bacteria. Mosquito larvae did not pupate at low resource levels except when Poteriochromonas and Colopoda were present as intermediate consumers. Communities with H. rosa were the only ones consistent with the prediction that omnivores should exclude intermediate consumers at high resources. 4. These results had mixed support for predictions from omnivory food web theory. Intermediate consumers responded and affected this community differently under different community structures and resource levels. Consequently, variation in species-specific traits can have important population- and community-level effects and needs to be considered in food webs with omnivory.

The Press and Government Restriction: A Cross-National Study Over Time.

ERIC Educational Resources Information Center

Weaver, David H.

Studies on mass communication and national development and studies of press freedom were reviewed to construct a macro-level theoretical model of press freedom development including seven key concepts: availability of resources, urbanism, educational level, mass media development, accountability of governors, stress on government, and government…

A case study of pedagogy of mathematics support tutors without a background in mathematics education

NASA Astrophysics Data System (ADS)

Walsh, Richard

2017-01-01

This study investigates the pedagogical skills and knowledge of three tertiary-level mathematics support tutors in a large group classroom setting. This is achieved through the use of video analysis and a theoretical framework comprising Rowland's Knowledge Quartet and general pedagogical knowledge. The study reports on the findings in relation to these tutors' provision of mathematics support to first and second year undergraduate engineering students and second year undergraduate science students. It was found that tutors are lacking in various pedagogical skills which are needed for high-quality learning amongst service mathematics students (e.g. engineering/science/technology students), a demographic which have low levels of mathematics upon entering university. Tutors teach their support classes in a very fast didactic way with minimal opportunities for students to ask questions or to attempt problems. It was also found that this teaching method is even more so exaggerated in mandatory departmental mathematics tutorials that students take as part of their mathematics studies at tertiary level. The implications of the findings on mathematics tutor training at tertiary level are also discussed.

Prediction of the interior noise levels of high-speed propeller-driven aircraft

NASA Technical Reports Server (NTRS)

Rennison, D. C.; Wilby, J. F.; Wilby, E. G.

1980-01-01

The theoretical basis for an analytical model developed to predict the interior noise levels of high-speed propeller-driven airplanes is presented. Particular emphasis is given to modeling the transmission of discrete tones through a fuselage element into a cavity, estimates for the mean and standard deviation of the acoustic power flow, the coupling between a non-homogeneous excitation and the fuselage vibration response, and the prediction of maximum interior noise levels. The model allows for convenient examination of the various roles of the excitation and fuselage structural characteristics on the fuselage vibration response and the interior noise levels, as is required for the design of model or prototype noise control validation tests.

Nulling interferometry for the darwin mission: laboratory demonstration experiment

NASA Astrophysics Data System (ADS)

Ollivier, Marc; Léger, Alain; Sekulic, Predrag; Labèque, Alain; Michel, Guy

2017-11-01

The DARWIN mission is a project of the European Space Agency that should allow around 2012 the search for extrasolar planets and a spectral analysis of their potential atmosphere in order to evidence gases and particularly tracers of life. The principle of the instrument is based on the Bracewell nulling interferometer. It allows high angular resolution and high dynamic range. However, this concept, proposed more than 20 years ago, has never been experimentally demonstrated in the thermal infrared with high levels of extinction. We present here a laboratory monochromatic experiment dedicated to this goal. A theoretical and numerical approach of the question highlights a strong difficulty: the need for very clean and homogeneous wavefronts, in terms of intensity, phase and polarisation distribution. A classical interferometric approach appears to be insufficient to reach our goals. We have shown theoretically then numerically that this difficulty can be surpassed if we perform an optical filtering of the interfering beams. This technique allows us to decrease strongly the optical requirements and to view very high interferometric contrast measurements with commercial optical pieces. We present here a laboratory interferometer working at 10,6 microns, and implementing several techniques of optical filtering (pinholes and single-mode waveguides), its realisation, and its first promising results. We particularly present measurements that exhibit stable visibility levels better than 99,9% that is to say extinction levels better than 1000.

A reassessment of state-level covariates of militia groups.

PubMed

Freilich, Joshua D; Pridemore, William Alex

2005-01-01

This study investigated state-level variation in the number of right-wing militia groups. We built on prior quantitative examinations by more carefully operationalizing theoretical concepts and testing alternative hypotheses offered to account for the etiology of social movements generally and of militias specifically. Using negative binomial regression, we found that, consistent with previous research, states with higher levels of farm job loss had more militia groups. However, in contrast to prior studies, we did not find gun culture, hospitable political climate, female empowerment, or general economic deprivation to be associated with the number of militia groups. We also found no relationship between the number of militia groups and levels of fundamentalist religious culture and minority empowerment. Our study was the first to test the effects of social disorganization on the number of militias in a state, and we found the two to be positively and significantly associated. We situate our results in the theoretical and empirical literature and outline two challenges for future research. First, scholars must operationalize variables carefully since different measures of the same theoretical concept may result in diverging conclusions. Second, since one major factor (i.e., social disorganization) found in this study to be associated with the number of militia groups in a state was examined here for the first time, it is important for researchers to continue to investigate new hypotheses.

Research progress of plant population genomics based on high-throughput sequencing.

PubMed

Wang, Yun-sheng

2016-08-01

Population genomics, a new paradigm for population genetics, combine the concepts and techniques of genomics with the theoretical system of population genetics and improve our understanding of microevolution through identification of site-specific effect and genome-wide effects using genome-wide polymorphic sites genotypeing. With the appearance and improvement of the next generation high-throughput sequencing technology, the numbers of plant species with complete genome sequences increased rapidly and large scale resequencing has also been carried out in recent years. Parallel sequencing has also been done in some plant species without complete genome sequences. These studies have greatly promoted the development of population genomics and deepened our understanding of the genetic diversity, level of linking disequilibium, selection effect, demographical history and molecular mechanism of complex traits of relevant plant population at a genomic level. In this review, I briely introduced the concept and research methods of population genomics and summarized the research progress of plant population genomics based on high-throughput sequencing. I also discussed the prospect as well as existing problems of plant population genomics in order to provide references for related studies.

Statistical comparison of a hybrid approach with approximate and exact inference models for Fusion 2+

NASA Astrophysics Data System (ADS)

Lee, K. David; Wiesenfeld, Eric; Gelfand, Andrew

2007-04-01

One of the greatest challenges in modern combat is maintaining a high level of timely Situational Awareness (SA). In many situations, computational complexity and accuracy considerations make the development and deployment of real-time, high-level inference tools very difficult. An innovative hybrid framework that combines Bayesian inference, in the form of Bayesian Networks, and Possibility Theory, in the form of Fuzzy Logic systems, has recently been introduced to provide a rigorous framework for high-level inference. In previous research, the theoretical basis and benefits of the hybrid approach have been developed. However, lacking is a concrete experimental comparison of the hybrid framework with traditional fusion methods, to demonstrate and quantify this benefit. The goal of this research, therefore, is to provide a statistical analysis on the comparison of the accuracy and performance of hybrid network theory, with pure Bayesian and Fuzzy systems and an inexact Bayesian system approximated using Particle Filtering. To accomplish this task, domain specific models will be developed under these different theoretical approaches and then evaluated, via Monte Carlo Simulation, in comparison to situational ground truth to measure accuracy and fidelity. Following this, a rigorous statistical analysis of the performance results will be performed, to quantify the benefit of hybrid inference to other fusion tools.

Agreeableness and alcohol-related aggression: the mediating effect of trait aggressivity.

PubMed

Miller, Cameron A; Parrott, Dominic J; Giancola, Peter R

2009-12-01

This study investigated the mediating effect of trait aggressivity on the relation between agreeableness and alcohol-related aggression in a laboratory setting. Participants were 116 healthy male social drinkers between 21 and 30 years of age. Agreeableness and trait aggressivity were measured using the Big Five Inventory and the Buss-Perry Aggression Questionnaire, respectively. Following the consumption of an alcohol or no-alcohol control beverage, participants completed a modified version of the Taylor Aggression Paradigm, in which electric shocks were received from and administered to a fictitious opponent during a competitive task. Aggression was operationalized as the proportion of the most extreme shocks delivered to the fictitious opponent under conditions of low and high provocation. Results indicated that lower levels of agreeableness were associated with higher levels of trait aggressivity. In turn, higher levels of trait aggressivity predicted extreme aggression in intoxicated, but not sober, participants under low, but not high, provocation. Findings highlight the importance of examining determinants of intoxicated aggression within a broader theoretical framework of personality.

The best way to tell you to use a condom: the interplay between message format and individuals' level of need for cognition.

PubMed

Carnaghi, A; Cadinu, M; Castelli, L; Kiesner, J; Bragantini, C

2007-03-01

The present study addressed how individuals in high versus low need for cognition react to a persuasive message (concerning safer sexual conduct) presented either in a written format or in a comic-strip format. A control group that did not receive any persuasive message was also included. With reference to the Theory of Reasoned Action, we analyzed participants' instrumental attitude and instrumental norm toward the use of condoms. Results indicated that, compared to participants in the control group, providing participants with the persuasive message bolstered their instrumental attitude and norm. More importantly, participants high in need for cognition displayed higher levels of both instrumental attitude and norm when the message was in a written, as compared to a comic-strip, format. In contrast, participants low in need for cognition reported a stronger level of both instrumental attitude and norm in reaction to a comic-strip than a written message. Results are discussed with respect to their theoretical and practical implications.

Recent development on high-power tandem-pumped fiber laser

NASA Astrophysics Data System (ADS)

Zhou, Pu; Xiao, Hu; Leng, Jinyong; Zhang, Hanwei; Xu, Jiangmin; Wu, Jian

2016-11-01

High power fiber laser is attracting more and more attention due to its advantage in excellent beam quality, high electricto- optical conversion efficiency and compact system configuration. Power scaling of fiber laser is challenged by the brightness of pump source, nonlinear effect, modal instability and so on. Pumping active fiber by using high-brightness fiber laser instead of common laser diode may be the solution for the brightness limitation. In this paper, we will present the recent development of various kinds of high power fiber laser based on tandem pumping scheme. According to the absorption property of Ytterbium-doped fiber, Thulium-doped fiber and Holmium-doped fiber, we have theoretically studied the fiber lasers that operate at 1018 nm, 1178 nm and 1150 nm, respectively in detail. Consequently, according to the numerical results we have optimized the fiber laser system design, and we have achieved (1) 500 watt level 1018nm Ytterbium-doped fiber laser (2) 100 watt level 1150 nm fiber laser and 100 watt level random fiber laser (3) 30 watt 1178 nm Ytterbium-doped fiber laser, 200 watt-level random fiber laser. All of the above-mentioned are the record power for the corresponded type of fiber laser to the best of our knowledge. By using the high-brightness fiber laser operate at 1018 nm, 1178 nm and 1150 nm that we have developed, we have achieved the following high power fiber laser (1) 3.5 kW 1090 nm Ytterbium-doped fiber amplifier (2) 100 watt level Thulium-doped fiber laser and (3) 50 watt level Holmium -doped fiber laser.

Novel endophytic yeast Rhodotorula mucilaginosa strain PTD3 I: production of xylitol and ethanol.

PubMed

Bura, Renata; Vajzovic, Azra; Doty, Sharon L

2012-07-01

An endophytic yeast, Rhodotorula mucilaginosa strain PTD3, that was isolated from stems of hybrid poplar was found to be capable of production of xylitol from xylose, of ethanol from glucose, galactose, and mannose, and of arabitol from arabinose. The utilization of 30 g/L of each of the five sugars during fermentation by PTD3 was studied in liquid batch cultures. Glucose-acclimated PTD3 produced enhanced yields of xylitol (67% of theoretical yield) from xylose and of ethanol (84, 86, and 94% of theoretical yield, respectively) from glucose, galactose, and mannose. Additionally, this yeast was capable of metabolizing high concentrations of mixed sugars (150 g/L), with high yields of xylitol (61% of theoretical yield) and ethanol (83% of theoretical yield). A 1:1 glucose:xylose ratio with 30 g/L of each during double sugar fermentation did not affect PTD3's ability to produce high yields of xylitol (65% of theoretical yield) and ethanol (92% of theoretical yield). Surprisingly, the highest yields of xylitol (76% of theoretical yield) and ethanol (100% of theoretical yield) were observed during fermentation of sugars present in the lignocellulosic hydrolysate obtained after steam pretreatment of a mixture of hybrid poplar and Douglas fir. PTD3 demonstrated an exceptional ability to ferment the hydrolysate, overcome hexose repression of xylose utilization with a short lag period of 10 h, and tolerate sugar degradation products. In direct comparison, PTD3 had higher xylitol yields from the mixed sugar hydrolysate compared with the widely studied and used xylitol producer Candida guilliermondii.

A systematic review of the impact of stigma and nihilism on lung cancer outcomes

PubMed Central

2012-01-01

Background This study systematically reviewed the evidence on the influence of stigma and nihilism on lung cancer patterns of care; patients’ psychosocial and quality of life (QOL) outcomes; and how this may link to public health programs. Methods Medline, EMBASE, ProQuest, CINAHL, PsycINFO databases were searched. Inclusion criteria were: included lung cancer patients and/or partners or caregivers and/or health professionals (either at least 80% of participants had lung cancer or were partners or caregivers of lung cancer patients, or there was a lung cancer specific sub-group focus or analysis), assessed stigma or nihilism with respect to lung cancer and published in English between 1st January 1999 and 31st January 2011. Trial quality and levels of evidence were assessed. Results Eighteen articles describing 15 studies met inclusion criteria. The seven qualitative studies were high quality with regard to data collection, analysis and reporting; however most lacked a clear theoretical framework; did not address interviewer bias; or provide a rationale for sample size. The eight quantitative studies were generally of low quality with highly selected samples, non-comparable groups and low participation rates and employed divergent theoretical and measurement approaches. Stigma about lung cancer was reported by patients and health professionals and was related to poorer QOL and higher psychological distress in patients. Clear empirical explorations of nihilism were not evident. There is qualitative evidence that from the patients’ perspectives public health programs contribute to stigma about lung cancer and this was supported by published commentary. Conclusions Health-related stigma presents as a part of the lung cancer experience however there are clear limitations in the research to date. Future longitudinal and multi-level research is needed and this should be more clearly linked to relevant theory. PMID:22607085

An investigation of the compressive strength of Kevlar 49/epoxy composites

NASA Technical Reports Server (NTRS)

Kulkarni, S. V.; Rosen, B. W.; Rice, J. S.

1975-01-01

Tests were performed to evaluate the effect of a wide range of variables including matrix properties, interface properties, fiber prestressing, secondary reinforcement, and others on the ultimate compressive strength of Kevlar 49/epoxy composites. Scanning electron microscopy is used to assess the resulting failure surfaces. In addition, a theoretical study is conducted to determine the influence of fiber anisotropy and lack of perfect bond between fiber and matrix on the shear mode microbuckling. The experimental evaluation of the effect of various constituent and process characteristics on the behavior of these unidirectional composites in compression did not reveal any substantial increase in strength. However, theoretical evaluations indicate that the high degree of fiber anisotropy results in a significant drop in the predicted stress level for internal instability. Scanning electron microscope data analysis suggests that internal fiber failure and smooth surface debonding could be responsible for the measured low compressive strengths.

Observation of H displacement and H2 elimination channels in the reaction of O(3P) with 1-butene from crossed beams and theoretical studies

NASA Astrophysics Data System (ADS)

Caracciolo, Adriana; Vanuzzo, Gianmarco; Balucani, Nadia; Stranges, Domenico; Cavallotti, Carlo; Casavecchia, Piergiorgio

2017-09-01

We report preliminary combined experimental/theoretical results on O(3P) + 1-butene reaction dynamics with focus on atomic hydrogen displacement and molecular hydrogen elimination channels. Dynamics and relative yield of the ethylvinoxy + H and ethylketene + H2 product channels are characterized in crossed beam experiments. Stationary points and energetics of triplet/singlet C4H8O potential energy surfaces (PESs) are calculated at CCSD(T)/CBS and CASPT2 level. O(3P) attack occurs on both unsaturated C-atoms with preference for the less substituted one leading, among other products, to C2H5CHCHO + H via an exit barrier on the triplet PES, and to C2H5CHCO + H2 via a very high exit barrier on the singlet PES following intersystem crossing.

Iso standardization of theoretical activity evaluation method for low and intermediate level activated waste generated at nuclear power plants

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

Makoto Kashiwagi; Garamszeghy, Mike; Lantes, Bertrand

Disposal of low-and intermediate-level activated waste generated at nuclear power plants is being planned or carried out in many countries. The radioactivity concentrations and/or total quantities of long-lived, difficult-to-measure nuclides (DTM nuclides), such as C-14, Ni-63, Nb-94, α emitting nuclides etc., are often restricted by the safety case for a final repository as determined by each country's safety regulations, and these concentrations or amounts are required to be known and declared. With respect to waste contaminated by contact with process water, the Scaling Factor method (SF method), which is empirically based on sampling and analysis data, has been applied asmore » an important method for determining concentrations of DTM nuclides. This method was standardized by the International Organization for Standardization (ISO) and published in 2007 as ISO21238 'Scaling factor method to determine the radioactivity of low and intermediate-level radioactive waste packages generated at nuclear power plants' [1]. However, for activated metal waste with comparatively high concentrations of radioactivity, such as may be found in reactor control rods and internal structures, direct sampling and radiochemical analysis methods to evaluate the DTM nuclides are limited by access to the material and potentially high personnel radiation exposure. In this case, theoretical calculation methods in combination with empirical methods based on remote radiation surveys need to be used to best advantage for determining the disposal inventory of DTM nuclides while minimizing exposure to radiation workers. Pursuant to this objective a standard for the theoretical evaluation of the radioactivity concentration of DTM nuclides in activated waste, is in process through ISO TC85/SC5 (ISO Technical Committee 85: Nuclear energy, nuclear technologies, and radiological protection; Subcommittee 5: Nuclear fuel cycle). The project team for this ISO standard was formed in 2011 and is composed of experts from 11 countries. The project team has been conducting technical discussions on theoretical methods for determining concentrations of radioactivity, and has developed the draft International Standard of ISO16966 'Theoretical activation calculation method to evaluate the radioactivity of activated waste generated at nuclear reactors' [2]. This paper describes the international standardization process developed by the ISO project team, and outlines the following two theoretical activity evaluation methods:? Point method? Range method. (authors)« less

Is moral elevation an approach-oriented emotion?

PubMed Central

Van de Vyver, Julie; Abrams, Dominic

2017-01-01

Abstract Two studies were designed to test whether moral elevation should be conceptualized as an approach-oriented emotion. The studies examined the relationship between moral elevation and the behavioral activation and inhibition systems. Study 1 (N = 80) showed that individual differences in moral elevation were associated with individual differences in behavioral activation but not inhibition. Study 2 (N = 78) showed that an elevation-inducing video promoted equally high levels of approach orientation as an anger-inducing video and significantly higher levels of approach orientation than a control video. Furthermore, the elevation-inducing stimulus (vs. the control condition) significantly promoted prosocial motivation and this effect was sequentially mediated by feelings of moral elevation followed by an approach-oriented state. Overall the results show unambiguous support for the proposal that moral elevation is an approach-oriented emotion. Applied and theoretical implications are discussed. PMID:28191027

Theoretical Analysis of Rain Attenuation Probability

NASA Astrophysics Data System (ADS)

Roy, Surendra Kr.; Jha, Santosh Kr.; Jha, Lallan

2007-07-01

Satellite communication technologies are now highly developed and high quality, distance-independent services have expanded over a very wide area. As for the system design of the Hokkaido integrated telecommunications(HIT) network, it must first overcome outages of satellite links due to rain attenuation in ka frequency bands. In this paper theoretical analysis of rain attenuation probability on a slant path has been made. The formula proposed is based Weibull distribution and incorporates recent ITU-R recommendations concerning the necessary rain rates and rain heights inputs. The error behaviour of the model was tested with the loading rain attenuation prediction model recommended by ITU-R for large number of experiments at different probability levels. The novel slant path rain attenuastion prediction model compared to the ITU-R one exhibits a similar behaviour at low time percentages and a better root-mean-square error performance for probability levels above 0.02%. The set of presented models exhibits the advantage of implementation with little complexity and is considered useful for educational and back of the envelope computations.

Morphology Effect on Proton Dynamics in Nafion® 117 and Sulfonated Polyether Ether Ketone

NASA Astrophysics Data System (ADS)

Leong, Jun Xing; Diño, Wilson Agerico; Ahmad, Azizan; Daud, Wan Ramli Wan; Kasai, Hideaki

2016-09-01

We report results of our experimental and theoretical studies on the dynamics of proton conductivity in Nafion® 117 and self-fabricated sulfonated polyether ether ketone (SPEEK) membranes. Knowing that the presence of water molecules in the diffusion process results in a lower energy barrier, we determined the diffusion barriers and corresponding tunneling probabilities of Nafion® 117 and SPEEK system using a simple theoretical model that excludes the medium (water molecules) in the initial calculations. We then propose an equation that relates the membrane conductivity to the tunneling probability. We recover the effect of the medium by introducing a correction term into the proposed equation, which takes into account the effect of the proton diffusion distance and the hydration level. We have also experimentally verified that the proposed equation correctly explain the difference in conductivity between Nafion® 117 and SPEEK. We found that membranes that are to be operated in low hydration environments (high temperatures) need to be designed with short diffusion distances to enhance and maintain high conductivity.

Ambivalent sexism: a tool for understanding and improving gender relations in organizations.

PubMed

Zakrisson, Ingrid; Anderzén, Marie; Lenell, Fredrik; Sandelin, Håkan

2012-02-01

This study tested predictions regarding ambivalent sexism, previously studied cross-culturally, here "within-culturally", between groups from different organizational settings. Based on three samples (334 adults in general, 744 industrial employees, and 189 high school students), completing a Swedish version of the Ambivalent Sexism Inventory (ASI), the results revealed that men scored higher on hostile and benevolent sexism than women, and high school students scored higher than both adult samples on both forms of sexism. The results generally confirmed the predictions; the gender gap in benevolent sexism decreased as a function of increasing levels of general sexism and the correlation between hostile and benevolent sexism decreased with higher levels of general sexism. In fact, the groups scoring highest on general sexism displayed significant negative correlations indicating a polarized ideology of women among these groups. Implications, both theoretical and practical, derived from these results are discussed. © 2011 The Authors. Scandinavian Journal of Psychology © 2011 The Scandinavian Psychological Associations.

High-resolution tungsten spectroscopy relevant to the diagnostic of high-temperature tokamak plasmas

NASA Astrophysics Data System (ADS)

Rzadkiewicz, J.; Yang, Y.; Kozioł, K.; O'Mullane, M. G.; Patel, A.; Xiao, J.; Yao, K.; Shen, Y.; Lu, D.; Hutton, R.; Zou, Y.; JET Contributors

2018-05-01

The x-ray transitions in Cu- and Ni-like tungsten ions in the 5.19-5.26 Å wavelength range that are relevant as a high-temperature tokamak diagnostic, in particular for JET in the ITER-like wall configuration, have been studied. Tungsten spectra were measured at the upgraded Shanghai- Electron Beam Ion Trap operated with electron-beam energies from 3.16 to 4.55 keV. High-resolution measurements were performed by means of a flat Si 111 crystal spectrometer equipped by a CCD camera. The experimental wavelengths were determined with an accuracy of 0.3-0.4 mÅ. The wavelength of the ground-state transition in Cu-like tungsten from the 3 p53 d104 s 4 d [ (3/2 ,(1/2,5/2 ) 2] 1 /2 level was measured. All measured wavelengths were compared with those measured from JET ITER-like wall plasmas and with other experiments and various theoretical predictions including cowan, relac, multiconfigurational Dirac-Fock (MCDF), and fac calculations. To obtain a higher accuracy from theoretical predictions, the MCDF calculations were extended by taking into account correlation effects (configuration-interaction approach). It was found that such an extension brings the calculations closer to the experimental values in comparison with other calculations.

QED theory of multiphoton transitions in atoms and ions

NASA Astrophysics Data System (ADS)

Zalialiutdinov, Timur A.; Solovyev, Dmitry A.; Labzowsky, Leonti N.; Plunien, Günter

2018-03-01

This review surveys the quantum theory of electromagnetic radiation for atomic systems. In particular, a review of current theoretical studies of multiphoton processes in one and two-electron atoms and highly charged ions is provided. Grounded on the quantum electrodynamics description the multiphoton transitions in presence of cascades, spin-statistic behaviour of equivalent photons and influence of external electric fields on multiphoton in atoms and anti-atoms are discussed. Finally, the nonresonant corrections which define the validity of the concept of the excited state energy levels are introduced.

Academic stress and positive affect: Asian value and self-worth contingency as moderators among Chinese international students.

PubMed

Liao, Kelly Yu-Hsin; Wei, Meifen

2014-01-01

The theoretical model proposed by Berry and colleagues (Berry, 1997; Berry, Kim, Minde, & Mok, 1987) highlights the importance of identifying moderators in the acculturation process. Accordingly, the current study examined the Asian cultural value of family recognition through achievement (FRTA) and contingency of self-worth on academic competence (CSW-AC) as moderators in the association between academic stress and positive affect among Chinese international students. A total of 370 Chinese international students completed online surveys. Results from a hierarchical regression indicated that while academic stress was negatively associated with positive affect, FRTA was positively associated with positive affect. In other words, those with high academic stress reported a lower level of positive affect. However, individuals who endorsed high levels of FRTA reported a higher level of positive affect. In addition, results also revealed a significant interaction between academic stress and CSW-AC on positive affect. Thus, the study's finding supported the moderator role of CSW-AC. Simple effect analyses were conducted to examine the significant interaction. The results showed that higher levels of CSW-AC strengthened the negative association between academic stress and positive affect but lower levels of CSW-AC did not. Future research directions and implications are discussed.

Emergency pediatric surgery: Comparing the economic burden in specialized versus nonspecialized children's centers.

PubMed

Kvasnovsky, Charlotte L; Lumpkins, Kimberly; Diaz, Jose J; Chun, Jeannie Y

2018-05-01

The American College of Surgeons has developed a verification program for children's surgery centers. Highly specialized hospitals may be verified as Level I, while those with fewer dedicated resources as Level II or Level III, respectively. We hypothesized that more specialized children's centers would utilize more resources. We performed a retrospective study of the Maryland Health Services Cost Review Commission (HSCRC) database from 2009 to 2013. We assessed total charge, length of stay (LOS), and charge per day for all inpatients with an emergency pediatric surgery diagnosis, controlling for severity of illness (SOI). Using published resources, we assigned theoretical level designations to each hospital. Two hospitals would qualify as Level 1 hospitals, with 4593 total emergency pediatric surgery admissions (38.5%) over the five-year study period. Charges were significantly higher for children treated at Level I hospitals (all P<0.0001). Across all SOI, children at Level I hospitals had significantly longer LOS (all P<0.0001). Hospitals defined as Level II and Level III provided the majority of care and were able to do so with shorter hospitalizations and lower charges, regardless of SOI. As care shifts towards specialized centers, this charge differential may have significant impact on future health care costs. Level III Cost Effectiveness Study. Copyright © 2018 Elsevier Inc. All rights reserved.

Richness-Productivity Relationships Between Trophic Levels in a Detritus-Based System: Significance of Abundance and Trophic Linkage.

EPA Science Inventory

Most theoretical and empirical studies of productivity–species richness relationships fail to consider linkages among trophic levels. We quantified productivity–richness relationships in detritus-based, water-filled tree-hole communities for two trophic levels: invertebrate consu...

Understanding individual resilience in the workplace: the international collaboration of workforce resilience model

PubMed Central

Rees, Clare S.; Breen, Lauren J.; Cusack, Lynette; Hegney, Desley

2015-01-01

When not managed effectively, high levels of workplace stress can lead to several negative personal and performance outcomes. Some professional groups work in highly stressful settings and are therefore particularly at risk of conditions such as anxiety, depression, secondary traumatic stress, and burnout. However, some individuals are less affected by workplace stress and the associated negative outcomes. Such individuals have been described as “resilient.” A number of studies have found relationships between levels of individual resilience and specific negative outcomes such as burnout and compassion fatigue. However, because psychological resilience is a multi-dimensional construct it is necessary to more clearly delineate it from other related and overlapping constructs. The creation of a testable theoretical model of individual workforce resilience, which includes both stable traits (e.g., neuroticism) as well as more malleable intrapersonal factors (e.g., coping style), enables information to be derived that can eventually inform interventions aimed at enhancing individual resilience in the workplace. The purpose of this paper is to introduce a new theoretical model of individual workforce resilience that includes several intrapersonal constructs known to be central in the appraisal of and response to stressors and that also overlap with the construct of psychological resilience. We propose a model in which psychological resilience is hypothesized to mediate the relationship between neuroticism, mindfulness, self-efficacy, coping, and psychological adjustment. PMID:25698999

Understanding individual resilience in the workplace: the international collaboration of workforce resilience model.

PubMed

Rees, Clare S; Breen, Lauren J; Cusack, Lynette; Hegney, Desley

2015-01-01

When not managed effectively, high levels of workplace stress can lead to several negative personal and performance outcomes. Some professional groups work in highly stressful settings and are therefore particularly at risk of conditions such as anxiety, depression, secondary traumatic stress, and burnout. However, some individuals are less affected by workplace stress and the associated negative outcomes. Such individuals have been described as "resilient." A number of studies have found relationships between levels of individual resilience and specific negative outcomes such as burnout and compassion fatigue. However, because psychological resilience is a multi-dimensional construct it is necessary to more clearly delineate it from other related and overlapping constructs. The creation of a testable theoretical model of individual workforce resilience, which includes both stable traits (e.g., neuroticism) as well as more malleable intrapersonal factors (e.g., coping style), enables information to be derived that can eventually inform interventions aimed at enhancing individual resilience in the workplace. The purpose of this paper is to introduce a new theoretical model of individual workforce resilience that includes several intrapersonal constructs known to be central in the appraisal of and response to stressors and that also overlap with the construct of psychological resilience. We propose a model in which psychological resilience is hypothesized to mediate the relationship between neuroticism, mindfulness, self-efficacy, coping, and psychological adjustment.

Pervasive negative effects of rewards on intrinsic motivation: The myth continues

PubMed Central

Cameron, Judy; Banko, Katherine M.; Pierce, W. David

2001-01-01

A major concern in psychology and education is that rewards decrease intrinsic motivation to perform activities. Over the past 30 years, more than 100 experimental studies have been conducted on this topic. In 1994, Cameron and Pierce conducted a meta-analysis of this literature and concluded that negative effects of reward were limited and could be easily prevented in applied settings. A more recent meta-analysis of the literature by Deci, Koestner, and Ryan (1999) shows pervasive negative effects of reward. The purpose of the present article is to resolve differences in previous meta-analytic findings and to provide a meta-analysis of rewards and intrinsic motivation that permits tests of competing theoretical explanations. Our results suggest that in general, rewards are not harmful to motivation to perform a task. Rewards given for low-interest tasks enhance free-choice intrinsic motivation. On high-interest tasks, verbal rewards produce positive effects on free-choice motivation and self-reported task interest. Negative effects are found on high-interest tasks when the rewards are tangible, expected (offered beforehand), and loosely tied to level of performance. When rewards are linked to level of performance, measures of intrinsic motivation increase or do not differ from a nonrewarded control group. Overall, the pattern of results indicates that reward contingencies do not have pervasive negative effects on intrinsic motivation. Theoretical and practical implications of the findings are addressed. PMID:22478353

Pervasive negative effects of rewards on intrinsic motivation: The myth continues.

PubMed

Cameron, J; Banko, K M; Pierce, W D

2001-01-01

A major concern in psychology and education is that rewards decrease intrinsic motivation to perform activities. Over the past 30 years, more than 100 experimental studies have been conducted on this topic. In 1994, Cameron and Pierce conducted a meta-analysis of this literature and concluded that negative effects of reward were limited and could be easily prevented in applied settings. A more recent meta-analysis of the literature by Deci, Koestner, and Ryan (1999) shows pervasive negative effects of reward. The purpose of the present article is to resolve differences in previous meta-analytic findings and to provide a meta-analysis of rewards and intrinsic motivation that permits tests of competing theoretical explanations. Our results suggest that in general, rewards are not harmful to motivation to perform a task. Rewards given for low-interest tasks enhance free-choice intrinsic motivation. On high-interest tasks, verbal rewards produce positive effects on free-choice motivation and self-reported task interest. Negative effects are found on high-interest tasks when the rewards are tangible, expected (offered beforehand), and loosely tied to level of performance. When rewards are linked to level of performance, measures of intrinsic motivation increase or do not differ from a nonrewarded control group. Overall, the pattern of results indicates that reward contingencies do not have pervasive negative effects on intrinsic motivation. Theoretical and practical implications of the findings are addressed.

From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H 2O ↔ HX + OH [X = F, Cl, and O( 3P)] Reactions

DOE PAGES

Li, Jun; Jiang, Bin; Song, Hongwei; ...

2015-04-17

Here, we survey the recent advances in theoretical understanding of quantum state resolved dynamics, using the title reactions as examples. It is shown that the progress was made possible by major developments in two areas. First, an accurate analytical representation of many high-level ab initio points over a large configuration space can now be made with high fidelity and the necessary permutation symmetry. The resulting full-dimensional global potential energy surfaces enable dynamical calculations using either quasi-classical trajectory or more importantly quantum mechanical methods. The second advance is the development of accurate and efficient quantum dynamical methods, which are necessary formore » providing a reliable treatment of quantum effects in reaction dynamics such as tunneling, resonances, and zero-point energy. The powerful combination of the two advances has allowed us to achieve a quantitatively accurate characterization of the reaction dynamics, which unveiled rich dynamical features such as steric steering, strong mode specificity, and bond selectivity. The dependence of reactivity on reactant modes can be rationalized by the recently proposed sudden vector projection model, which attributes the mode specificity and bond selectivity to the coupling of reactant modes with the reaction coordinate at the relevant transition state. The deeper insights provided by these theoretical studies have advanced our understanding of reaction dynamics to a new level.« less

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

Hurricane, O. A., E-mail: hurricane1@llnl.gov; Callahan, D. A.; Casey, D. T.

The “High-Foot” platform manipulates the laser pulse-shape coming from the National Ignition Facility laser to create an indirect drive 3-shock implosion that is significantly more robust against instability growth involving the ablator and also modestly reduces implosion convergence ratio. This strategy gives up on theoretical high-gain in an inertial confinement fusion implosion in order to obtain better control of the implosion and bring experimental performance in-line with calculated performance, yet keeps the absolute capsule performance relatively high. In this paper, we will cover the various experimental and theoretical motivations for the high-foot drive as well as cover the experimental resultsmore » that have come out of the high-foot experimental campaign. At the time of this writing, the high-foot implosion has demonstrated record total deuterium-tritium yields (9.3×10{sup 15}) with low levels of inferred mix, excellent agreement with implosion simulations, fuel energy gains exceeding unity, and evidence for the “bootstrapping” associated with alpha-particle self-heating.« less

Properties of Fr-like Th^3+ from microwave spectroscopy of high-L Rydberg states of Th^2+

NASA Astrophysics Data System (ADS)

Keele, Julie; Smith, Chris; Woods, Shannon; Lundeen, Stephen; Fehrenbach, Charles

2012-06-01

Spectroscopy of high-L n= 28 Rydberg levels of Th^2+ was recently reported using the optical RESIS method [1]. Because the ground state of Fr-like Th^3+ is a ^2F5/2 level, each (n,L) Rydberg level of Th^2+ is split into six eigenstates whose relative positions are determined by long-range e-Th^3+ interactions. Measurements of those positions can be used to determine the Th^3+ properties that control those interactions, such as polarizabilities and permanent moments. We report a much improved study of n=28 levels with 9 <= L <= 12, obtained with the microwave/RESIS method. The higher precision measurements allow improved determinations of a wider range of Th^3+ properties and a better test of theoretical calculations [2].[4pt] [1] Julie A. Keele, M.E. Hanni, Shannon L. Woods, S.R. Lundeen, and C.W. Fehrenbach, Phys. Rev. A 83, 062501 (2011)[0pt] [2] U.I. Safronova, W.R. Johnson, and M.S. Safronova, Phys. Rev. A 74, 042511 (2006)

High-Altitude Flight Cooling Investigation of a Radial Air-Cooled Engine

NASA Technical Reports Server (NTRS)

Manganiello, Eugene J; Valerino, Michael F; Bell, E Barton

1947-01-01

An investigation of the cooling of an 18-cylinder, twin-row, radial, air-cooled engine in a high-performance pursuit airplane has been conducted for variable engine and flight conditions at altitudes ranging from 5000 to 35,000 feet in order to provide a basis for predicting high-altitude cooling performance from sea-level or low altitude experimental results. The engine cooling data obtained were analyzed by the usual NACA cooling-correlation method wherein cylinder-head and cylinder-barrel temperatures are related to the pertinent engine and cooling-air variables. A theoretical analysis was made of the effect on engine cooling of the change of density of the cooling air across the engine (the compressibility effect), which becomes of increasing importance as altitude is increased. Good agreement was obtained between the results of the theoretical analysis and the experimental data.

Using Expectancy Value Theory as a Framework to Reduce Student Resistance to Active Learning: A Proof of Concept.

PubMed

Cooper, Katelyn M; Ashley, Michael; Brownell, Sara E

2017-01-01

There has been a national movement to transition college science courses from passive lectures to active learning environments. Active learning has been shown to be a more effective way for students to learn, yet there is concern that some students are resistant to active learning approaches. Although there is much discussion about student resistance to active learning, few studies have explored this topic. Furthermore, a limited number of studies have applied theoretical frameworks to student engagement in active learning. We propose using a theoretical lens of expectancy value theory to understand student resistance to active learning. In this study, we examined student perceptions of active learning after participating in 40 hours of active learning. We used the principal components of expectancy value theory to probe student experience in active learning: student perceived self-efficacy in active learning, value of active learning, and potential cost of participating in active learning. We found that students showed positive changes in the components of expectancy value theory and reported high levels of engagement in active learning, which provide proof of concept that expectancy value theory can be used to boost student perceptions of active learning and their engagement in active learning classrooms. From these findings, we have built a theoretical framework of expectancy value theory applied to active learning.

Using Expectancy Value Theory as a Framework to Reduce Student Resistance to Active Learning: A Proof of Concept

PubMed Central

Cooper, Katelyn M.; Ashley, Michael; Brownell, Sara E.

2017-01-01

There has been a national movement to transition college science courses from passive lectures to active learning environments. Active learning has been shown to be a more effective way for students to learn, yet there is concern that some students are resistant to active learning approaches. Although there is much discussion about student resistance to active learning, few studies have explored this topic. Furthermore, a limited number of studies have applied theoretical frameworks to student engagement in active learning. We propose using a theoretical lens of expectancy value theory to understand student resistance to active learning. In this study, we examined student perceptions of active learning after participating in 40 hours of active learning. We used the principal components of expectancy value theory to probe student experience in active learning: student perceived self-efficacy in active learning, value of active learning, and potential cost of participating in active learning. We found that students showed positive changes in the components of expectancy value theory and reported high levels of engagement in active learning, which provide proof of concept that expectancy value theory can be used to boost student perceptions of active learning and their engagement in active learning classrooms. From these findings, we have built a theoretical framework of expectancy value theory applied to active learning. PMID:28861130

Stressful Life Events and Child Anxiety: Examining Parent and Child Mediators.

PubMed

Platt, Rheanna; Williams, Sarah R; Ginsburg, Golda S

2016-02-01

While a number of factors have been linked with excessive anxiety (e.g., parenting, child temperament), the impact of stressful life events remains under-studied. Moreover, much of this literature has examined bivariate associations rather than testing more complex theoretical models. The current study extends the literature on life events and child anxiety by testing a theory-driven meditational model. Specifically, one child factor (child cognitions/locus of control), two parent factors (parent psychopathology and parenting stress), and two parent-child relationship factors (parent-child dysfunctional interaction and parenting style) were examined as mediators in the relationship between stressful life events and severity of child anxiety. One hundred and thirty anxious parents and their nonanxious, high-risk children (ages ranged from 7 to 13 years) participated in this study. Results indicated that levels of parenting stress, parental anxious rearing, and dysfunctional parent-child interaction mediated the association between stressful life events and severity of anxiety symptoms. Child cognition and parent psychopathology factors failed to emerge as mediators. Findings provide support for more complex theoretical models linking life events and child anxiety and suggest potential targets of intervention.

Quantification of crew workload imposed by communications-related tasks in commercial transport aircraft

NASA Technical Reports Server (NTRS)

Acton, W. H.; Crabtree, M. S.; Simons, J. C.; Gomer, F. E.; Eckel, J. S.

1983-01-01

Information theoretic analysis and subjective paired-comparison and task ranking techniques were employed in order to scale the workload of 20 communications-related tasks frequently performed by the captain and first officer of transport category aircraft. Tasks were drawn from taped conversations between aircraft and air traffic controllers (ATC). Twenty crewmembers performed subjective message comparisons and task rankings on the basis of workload. Information theoretic results indicated a broad range of task difficulty levels, and substantial differences between captain and first officer workload levels. Preliminary subjective data tended to corroborate these results. A hybrid scale reflecting the results of both the analytical and the subjective techniques is currently being developed. The findings will be used to select representative sets of communications for use in high fidelity simulation.

Indoor Radon in Micro-geological Setting of an Indigenous Community in Canada: A Pilot Study for Hazard Identification.

PubMed

Sarkar, Atanu; Wilton, Derek Hc; Fitzgerald, Erica

2017-04-01

Radon is the second leading cause of lung cancer after smoking. In Canada, the health authorities have no access to comprehensive profile of the communities built over uranium-rich micro-geological settings. The present indoor radon monitoring guideline is unable to provide an accurate identification of health hazards due to discounting several parameters of housing characteristics. To explore indoor radon levels in a micro-geological setting known for high uranium in bedrock and to develop a theoretical model for a revised radon testing protocol. We surveyed a remote Inuit community in Labrador, located in the midst of uranium belt. We selected 25 houses by convenience sampling and placed electret-ion-chamber radon monitoring devices in the lowest levels of the house (basement/crawl space). The standard radon study questionnaire developed and used by Health Canada was used. 7 (28%) houses had radon levels above the guideline value (range 249 to 574 Bq/m 3 ). Housing characteristics, such as floors, sump holes, ventilation, and heating systems were suspected for high indoor radon levels and health consequences. There is a possibility of the existence of high-risk community in a low-risk region. The regional and provincial health authorities would be benefited by consulting geologists to identify potentially high-risk communities across the country. Placing testing devices in the lowest levels provides more accurate assessment of indoor radon level. The proposed protocol, based on synchronized testing of radon (at the lowest level of houses and in rooms of normal occupancy) and thorough inspection of the houses will be a more effective lung cancer prevention strategy.

Highly Charged Rydberg Ions from the Coulomb Explosion of Clusters

NASA Astrophysics Data System (ADS)

Komar, D.; Kazak, L.; Almassarani, M.; Meiwes-Broer, K.-H.; Tiggesbäumker, J.

2018-03-01

Ion emission from a nanoplasma produced in the interaction of intense optical laser pulses with argon clusters is studied resolving simultaneously charge states and recoil energies. By applying appropriate static electric fields we observe that a significant fraction of the ions Arq + (q =1 - 7 ) has electrons with binding energies lower than 150 meV; i.e., nRyd≥15 levels are populated. Charge state changes observed on a μ s time scale can be attributed to electron emission due to autoionizing Rydberg states, indicating that high-ℓ Rydberg levels are populated as well. The experiments support theoretical predictions that a significant fraction of delocalized electrons, which are bound with hundreds of eV to the nanoplasma after the laser exposure, fill up meV bound ion states in the adiabatic expansion. We expect the process to be relevant for the long-term evolution of expanding laser-induced dense plasmas in general.

Tautomerism in cytosine and uracil: an experimental and theoretical core level spectroscopic study.

PubMed

Feyer, Vitaliy; Plekan, Oksana; Richter, Robert; Coreno, Marcello; Vall-llosera, Gemma; Prince, Kevin C; Trofimov, Alexander B; Zaytseva, Irina L; Moskovskaya, Tatyana E; Gromov, Evgeniy V; Schirmer, Jochen

2009-05-14

The O, N, and C 1s core level photoemission spectra of the nucleobases cytosine and uracil have been measured in the vapor phase, and the results have been interpreted via theoretical calculations. Our calculations accurately predict the relative binding energies of the core level features observed in the experimental photoemission results and provide a full assignment. In agreement with previous work, a single tautomer of uracil is populated at 405 K, giving rise to relatively simple spectra. At 450 K, three tautomers of cytosine, one of which may consist of two rotamers, are identified, and their populations are determined. This resolves inconsistencies between recent laser studies of this molecule in which the rare imino-oxo tautomer was not observed and older microwave spectra in which it was reported.

Parenting and the Adjustment of Children Born to Gay Fathers Through Surrogacy.

PubMed

Golombok, Susan; Blake, Lucy; Slutsky, Jenna; Raffanello, Elizabeth; Roman, Gabriela D; Ehrhardt, Anke

2017-01-23

Findings are presented on a study of 40 gay father families created through surrogacy and a comparison group of 55 lesbian mother families created through donor insemination with a child aged 3-9 years. Standardized interview, observational and questionnaire measures of stigmatization, quality of parent-child relationships, and children's adjustment were administered to parents, children, and teachers. Children in both family types showed high levels of adjustment with lower levels of children's internalizing problems reported by gay fathers. Irrespective of family type, children whose parents perceived greater stigmatization and children who experienced higher levels of negative parenting showed higher levels of parent-reported externalizing problems. The findings contribute to theoretical understanding of the role of family structure and family processes in child adjustment. © 2017 The Authors. Child Development published by Wiley Periodicals, Inc on behalf of Society for Research in Child Development.

High Peer Popularity Longitudinally Predicts Adolescent Health Risk Behavior, or Does It?: An Examination of Linear and Quadratic Associations

PubMed Central

Choukas-Bradley, Sophia C.; Helms, Sarah W.; Brechwald, Whitney A.; Rancourt, Diana

2011-01-01

Objective In contrast to prior work, recent theory suggests that high, not low, levels of adolescent peer popularity may be associated with health risk behavior. This study examined (a) whether popularity may be uniquely associated with cigarette use, marijuana use, and sexual risk behavior, beyond the predictive effects of aggression; (b) whether the longitudinal association between popularity and health risk behavior may be curvilinear; and (c) gender moderation. Methods A total of 336 adolescents, initially in 10–11th grades, reported cigarette use, marijuana use, and number of sexual intercourse partners at two time points 18 months apart. Sociometric peer nominations were used to examine popularity and aggression. Results Longitudinal quadratic effects and gender moderation suggest that both high and low levels of popularity predict some, but not all, health risk behaviors. Conclusions New theoretical models can be useful for understanding the complex manner in which health risk behaviors may be reinforced within the peer context. PMID:21852342

High peer popularity longitudinally predicts adolescent health risk behavior, or does it?: an examination of linear and quadratic associations.

PubMed

Prinstein, Mitchell J; Choukas-Bradley, Sophia C; Helms, Sarah W; Brechwald, Whitney A; Rancourt, Diana

2011-10-01

In contrast to prior work, recent theory suggests that high, not low, levels of adolescent peer popularity may be associated with health risk behavior. This study examined (a) whether popularity may be uniquely associated with cigarette use, marijuana use, and sexual risk behavior, beyond the predictive effects of aggression; (b) whether the longitudinal association between popularity and health risk behavior may be curvilinear; and (c) gender moderation. A total of 336 adolescents, initially in 10-11th grades, reported cigarette use, marijuana use, and number of sexual intercourse partners at two time points 18 months apart. Sociometric peer nominations were used to examine popularity and aggression. Longitudinal quadratic effects and gender moderation suggest that both high and low levels of popularity predict some, but not all, health risk behaviors. New theoretical models can be useful for understanding the complex manner in which health risk behaviors may be reinforced within the peer context.

The Status of Women in Physics in Sudan

NASA Astrophysics Data System (ADS)

Abdelbagi, Abdrazig M.; Sirelkhatim, Amna H.; Abdelrahman, Wafaa S.; Osman, Mai E.; Shatir, Tahani S.

2009-04-01

The progress of women in physics education in the last five years was surveyed in the six top universities in Sudan. The data reveal great increases in the number of females studying undergraduate physics. Most were studying experimental physics rather than theoretical physics, especially the laser and electronics fields. It appears undergraduate laboratory experiments are an important factor in attracting women to physics. Our survey found that girls are encouraged to study physics at the high school level. However, the data also showed that the fewer tendencies to study physics among the women after high school are due to the limited job opportunities and low income of teachers. Postgraduate physics study is handicapped by lack of institutions, financial constraints, and lack of qualified advisors. Improvement of education systems and new ways of teaching will have great influences on attracting women to physics in Sudan.

Order within disorder: The atomic structure of ion-beam sputtered amorphous tantala (a-Ta₂O₅)

DOE PAGES

Bassiri, Riccardo; Liou, Franklin; Abernathy, Matthew R.; ...

2015-03-01

Amorphous tantala (a-Ta₂O₅) is a technologically important material often used in high-performance coatings. Understanding this material at the atomic level provides a way to further improve performance. This work details extended X-ray absorption fine structure measurements of a-Ta₂O₅ coatings, where high-quality experimental data and theoretical fits have allowed a detailed interpretation of the nearest-neighbor distributions. It was found that the tantalum atom is surrounded by four shells of atoms in sequence; oxygen, tantalum, oxygen, and tantalum. A discussion is also included on how these models can be interpreted within the context of published crystalline Ta₂O₅ and other a-T₂O₅ studies.

High Power Distance Enhances Employees' Preference for Likable Managers: A Resource Dependency Perspective

PubMed Central

Wei, Cong; Sun, Xiaomin; Liu, Jia; Zhou, Chunfang; Xue, Gang

2017-01-01

Is a manager's likability important from an employee's perspective? Research results in this field are scant and inconsistent. The current study explored employees' response to managers' likability and the moderating effect of power distance at both the cultural and individual levels. In study 1, following the countercultural priming experimental paradigm proposed by Van den Bos et al. (2013), 121 college students from China (a high power distance culture) and 99 college students from Denmark (a low power distance culture) were randomly assigned to either a countercultural (experimental) condition or a control condition. All participants were required to complete a manager selection task using the zero-acquaintance paradigm to measure their preference for likable managers. The results confirmed the moderating role of power distance at the cultural level. Study 2 further explored the moderating effect of power distance orientation at the individual level, as well as the boundary condition of the degree of resource dependence from the employee's perspective. One hundred and three Chinese participants with work experience were randomly assigned to either the subordinate perspective (high resource dependence) or the HR department perspective (low resource dependence) condition and completed the same task as in study 1. The results suggested that high power distance-oriented participants demonstrate stronger preference for likable manager candidates than do low power distance-oriented participants. In addition, these findings hold only when employees expect a high resource dependence relation with the manager. Theoretical and practical implications of the research findings and future research directions were discussed. PMID:28119654

Binding of urea and thiourea with a barbiturate derivative: experimental and theoretical approach.

PubMed

Dixit, Namrata; Shukla, P K; Mishra, P C; Mishra, Lallan; Roesky, Herbert W

2010-01-14

A barbiturate derivative [1,5-dihydro-5-[5-pyrimidine-2,4(1H,3H)-dionyl]-2H-chromeno[2,3-d] pyrimidine-2,4(3H)-dione)] (L1) possesses functionalities complementary to amide and thioamide. Hence its binding with urea and thiourea, is monitored using UV-vis and fluorescence titrations as well as isothermal titration calorimetry (ITC) study. Theoretical studies on hydrogen-bonded complexes of L1-urea and L1-thiourea in the gas phase, aqueous, and DMSO medium are carried out using density functional theory (DFT) at the B3LYP/6-31G** level. The theoretical calculations support the experimental results.

Farmers' Perception and Adaptation Behavior Concerning Land Degradation: A Theoretical Framework and a Case Study in Northwest China

NASA Astrophysics Data System (ADS)

Hou, Deyi; Liu, Kai

2017-04-01

In an era of global environmental change, social actors from an individual level to a national level are increasingly seeking adaptation strategies to better manage risks from environmental hazards. Vulnerability arises where adaptation capacity is not sufficient in dealing with a changing environment. Adaptation on an individual level and community level is important because of the location specific nature of environmental change. Land degradation is drawing much attention from both governments and academics, because it tends to affect the most vulnerable human populations and ecological systems most significantly. Despite these efforts, there is limited scientific knowledge regarding how farmers at a local level perceive the risks associated with degraded land and how their background, attitude, and living situation may affect their adaptation behavior. This poses a challenge to policy makers who are tasked to enhance the resilience of the society in response to environmental changes. Degradation of land by pollutant chemicals is particularly serious in China due to aggressive urbanization and industrialization activities over the last four decades. A report by the Ministry of Environmental Protection (MEP) in 2014 suggested that 16.1 percent of the nation's soil is polluted. Other studies suggest that shallow groundwater contamination is even more wide spread, with 80 90 percent being polluted. The government has realized the seriousness of land contamination, and vowed to give high priority to land remediation. Millions of hectares of contaminated agricultural land are expected to be remediated over the next decade. However, farmer's perception and adaptation behavior under this social and environmental change remain unknown. In this presentation, we report a conceptual framework and research hypothesis based on theoretical methodologies found in existing literature. We applied this framework to a case study of degraded land in an arid region in Northwest of China, where land pollution has caused ecological deterioration and affected the livelihood of local farmers. The findings from this study will be reported in the presentation.

Constitutive models for static and dynamic response of geotechnical materials

NASA Astrophysics Data System (ADS)

Nemat-Nasser, S.

1983-11-01

The objective of this research program has been to develop realistic macroscopic constitutive relations which describe static and dynamic properties of geotechnical materials (soils and rocks). To this end a coordinated theoretical and experimental activity has been followed. The theoretical work includes a balanced combination of statistical microscopic (at the grain size level) modeling and a nonclassical elasto-plastic macroscopic formulation. The latter includes the effects of internal friction, plastic compressibility, and pressure sensitivity, as well as anisotropy which is commonly observed in geotechnical materials. The following specific goals have been sought: (1) to develop three-dimensional constitutive relations under ordinary or high pressures (such as those induced by blasting or tectonic forces which may cause a large amount of densification by relative motion and possible crushing of grains); and (2) to examine and characterize the behavior of saturated granular materials under dynamic loading. The latter item includes characterization of possible liquefaction and subsidence which may be induced in granular materials under confining pressure by ground vibration or passage of waves. The theoretical work has been carefully coordinated with key experiments in order to: (1) understand the basic physics of the process, both at macroscopic and microscopic levels; (2) to verify the corresponding theoretical predictions; and (3) to establish relevant material parameters.

Explicit and implicit assessment of gender roles.

PubMed

Fernández, Juan; Quiroga, M Ángeles; Escorial, Sergio; Privado, Jesús

2014-05-01

Gender roles have been assessed by explicit measures and, recently, by implicit measures. In the former case, the theoretical assumptions have been questioned by empirical results. To solve this contradiction, we carried out two concatenated studies based on a relatively well-founded theoretical and empirical approach. The first study was designed to obtain a sample of genderized activities of the domestic sphere by means of an explicit assessment. Forty-two raters (22 women and 20 men, balanced on age, sex, and level of education) took part as raters. In the second study, an implicit assessment of gender roles was carried out, focusing on the response time given to the sample activities obtained from the first study. A total of 164 adults (90 women and 74 men, mean age = 43), with experience in living with a partner and balanced on age, sex, and level of education, participated. Taken together, results show that explicit and implicit assessment converge. The current social reality shows that there is still no equity in some gender roles in the domestic sphere. These consistent results show considerable theoretical and empirical robustness, due to the double implicit and explicit assessment.

RN jurisdiction over nursing care systems in nursing homes: application of latent class analysis

PubMed Central

Corazzini, Kirsten N.; Anderson, Ruth A.; Mueller, Christine; Thorpe, Joshua M.; McConnell, Eleanor S.

2015-01-01

Background In the context of declining registered nurse (RN) staffing levels in nursing homes, professional nursing jurisdiction over nursing care systems may erode. Objectives The purpose of this study is to develop a typology of professional nursing jurisdiction in nursing homes in relation to characteristics of RN staffing, drawing upon Abbott's (1988) tasks and jurisdictions framework. Method The study was a cross-sectional, observational study using the 2004 National Nursing Home Survey (N=1,120 nursing homes). Latent class analysis tested whether RN staffing indicators differentiated facilities in a typology of RN jurisdiction, and compared classes on key organizational environment characteristics. Multiple logistic regression analysis related the emergent classes to presence or absence of specialty care programs in 8 clinical areas. Results Three classes of capacity for jurisdiction were identified, including ‘low capacity’ (41% of homes) with low probabilities of having any indicators of RN jurisdiction, ‘mixed capacity’ (26% of homes) with moderate to high probabilities of having higher RN education and staffing levels, and ‘high capacity’ (32% of homes) with moderate to high probabilities of having almost all indicators of RN jurisdiction. ‘High capacity’ homes were more likely to have specialty care programs relative to ‘low capacity’ homes; such homes were less likely to be chain-owned, and more likely to be larger, provide higher technical levels of patient care, have unionized nursing assistants, have a lower ratio of LPNs to RNs, and a higher education level of the administrator. Discussion Findings provide preliminary support for the theoretical framework as a starting point to move beyond extensive reliance on staffing levels and mix as indicators of quality. Further, findings indicate the importance of RN specialty certification. PMID:22166907

Rovibrational bound states of SO2 isotopologues. I: Total angular momentum J = 0-10

NASA Astrophysics Data System (ADS)

Kumar, Praveen; Ellis, Joseph; Poirier, Bill

2015-04-01

Isotopic variation of the rovibrational bound states of SO2 for the four stable sulfur isotopes 32-34,36S is investigated in comprehensive detail. In a two-part series, we compute the low-lying energy levels for all values of total angular momentum in the range J = 0-20. All rovibrational levels are computed, to an extremely high level of numerical convergence. The calculations have been carried out using the ScalIT suite of parallel codes. The present study (Paper I) examines the J = 0-10 rovibrational levels, providing unambiguous symmetry and rovibrational label assignments for each computed state. The calculated vibrational energy levels exhibit very good agreement with previously reported experimental and theoretical data. Rovibrational energy levels, calculated without any Coriolis approximations, are reported here for the first time. Among other potential ramifications, this data will facilitate understanding of the origin of mass-independent fractionation of sulfur isotopes in the Archean rock record-of great relevance for understanding the "oxygen revolution".

A Selective Review of Group Selection in High-Dimensional Models

PubMed Central

Huang, Jian; Breheny, Patrick; Ma, Shuangge

2013-01-01

Grouping structures arise naturally in many statistical modeling problems. Several methods have been proposed for variable selection that respect grouping structure in variables. Examples include the group LASSO and several concave group selection methods. In this article, we give a selective review of group selection concerning methodological developments, theoretical properties and computational algorithms. We pay particular attention to group selection methods involving concave penalties. We address both group selection and bi-level selection methods. We describe several applications of these methods in nonparametric additive models, semiparametric regression, seemingly unrelated regressions, genomic data analysis and genome wide association studies. We also highlight some issues that require further study. PMID:24174707

Native and Nonnative Processing of Japanese Pitch Accent

ERIC Educational Resources Information Center

Wu, Xianghua; Tu, Jung-Yueh; Wang, Yue

2012-01-01

The theoretical framework of this study is based on the prevalent debate of whether prosodic processing is influenced by higher level linguistic-specific circuits or reflects lower level encoding of physical properties. Using the dichotic listening technique, the study investigates the hemispheric processing of Japanese pitch accent by native…

System engineering study of electrodynamic tether as a spaceborne generator and radiator of electromagnetic waves in the ULF/ELF frequency band

NASA Technical Reports Server (NTRS)

Estes, Robert D.

1987-01-01

An electrodynamic tether deployed from a satellite in low-Earth orbit can perform, if properly instrumented, as a partially self-powered generator of electromagnetic waves in the ULF/ELF band, potentially at power levels high enough to be of practical use. Two basic problems are examined. The first is that of the level of wave power that the system can be expected to generate in the ULF/ELF radiation band. The second major question is whether an electrodynamic tethered satellite system for transmitting waves can be made partially self-powering so that power requirements for drag compensation can be met within economical constraints of mass, cost, and complexity. The theoretical developments and the system applications study are presented. The basic design criteria, the drag-compensation method, the effects on the propagation paths from orbit to Earth surface of high-altitude nuclear debris patches, and the estimate of masses and sizes are covered. An outline of recommended analytical work, to be performed as a follow-on to the present study, is contained.

Bicarbonate Values for Healthy Residents Living in Cities Above 1500 Meters of Altitude: A Theoretical Model and Systematic Review.

PubMed

Ramirez-Sandoval, Juan C; Castilla-Peón, Maria F; Gotés-Palazuelos, José; Vázquez-García, Juan C; Wagner, Michael P; Merelo-Arias, Carlos A; Vega-Vega, Olynka; Rincón-Pedrero, Rodolfo; Correa-Rotter, Ricardo

2016-06-01

Ramirez-Sandoval, Juan C., Maria F. Castilla-Peón, José Gotés-Palazuelos, Juan C. Vázquez-García, Michael P. Wagner, Carlos A. Merelo-Arias, Olynka Vega-Vega, Rodolfo Rincón-Pedrero, and Ricardo Correa-Rotter. Bicarbonate values for healthy residents living in cities above 1500 m of altitude: a theoretical model and systematic review. High Alt Med Biol. 17:85-92, 2016.-Plasma bicarbonate (HCO3(-)) concentration is the main value used to assess the metabolic component of the acid-base status. There is limited information regarding plasma HCO3(-) values adjusted for altitude for people living in cities at high altitude defined as 1500 m (4921 ft) or more above sea level. Our aim was to estimate the plasma HCO3(-) concentration in residents of cities at these altitudes using a theoretical model and compare these values with HCO3(-) values found on a systematic review, and with those venous CO2 values obtained in a sample of 633 healthy individuals living at an altitude of 2240 m (7350 ft). We calculated the PCO2 using linear regression models and calculated plasma HCO3(-) according to the Henderson-Hasselbalch equation. Results show that HCO3(-) concentration falls as the altitude of the cities increase. For each 1000 m of altitude above sea level, HCO3(-) decreases to 0.55 and 1.5 mEq/L in subjects living at sea level with acute exposure to altitude and in subjects acclimatized to altitude, respectively. Estimated HCO3(-) values from the theoretical model were not different to HCO3(-) values found in publications of a systematic review or with venous total CO2 measurements in our sample. Altitude has to be taken into consideration in the calculation of HCO3(-) concentrations in cities above 1500 m to avoid an overdiagnosis of acid-base disorders in a given individual.

Theoretical and experimental NMR studies on muscimol from fly agaric mushroom (Amanita muscaria)

NASA Astrophysics Data System (ADS)

Kupka, Teobald; Wieczorek, Piotr P.

2016-01-01

In this article we report results of combined theoretical and experimental NMR studies on muscimol, the bioactive alkaloid from fly agaric mushroom (Amanita muscaria). The assignment of 1H and 13C NMR spectra of muscimol in DMSO-d6 was supported by additional two-dimensional heteronuclear correlated spectra (2D NMR) and gauge independent atomic orbital (GIAO) NMR calculations using density functional theory (DFT). The effect of solvent in theoretical calculations was included via polarized continuum model (PCM) and the hybrid three-parameter B3LYP density functional in combination with 6-311++G(3df,2pd) basis set enabled calculation of reliable structures of non-ionized (neutral) molecule and its NH and zwitterionic forms in the gas phase, chloroform, DMSO and water. GIAO NMR calculations, using equilibrium and rovibrationally averaged geometry, at B3LYP/6-31G* and B3LYP/aug-cc-pVTZ-J levels of theory provided muscimol nuclear magnetic shieldings. The theoretical proton and carbon chemical shifts were critically compared with experimental NMR spectra measured in DMSO. Our results provide useful information on its structure in solution. We believe that such data could improve the understanding of basic features of muscimol at atomistic level and provide another tool in studies related to GABA analogs.

Diversity and Women's Career Development: From Adolescence to Adulthood. Women's Mental Health and Development, Volume 2.

ERIC Educational Resources Information Center

Farmer, Helen S.

This book presents a variety of perspectives on career development for women that grew from an extensive study of high school students in 1980 with follow-ups in 1990 and 1993. "Theoretical Overview: The Longitudinal Study" (Helen S. Farmer) outlines the social learning theoretical framework underlying the study and describes study procedures,…

Extraversion and neuroticism relate to topological properties of resting-state brain networks.

PubMed

Gao, Qing; Xu, Qiang; Duan, Xujun; Liao, Wei; Ding, Jurong; Zhang, Zhiqiang; Li, Yuan; Lu, Guangming; Chen, Huafu

2013-01-01

With the advent and development of modern neuroimaging techniques, there is an increasing interest in linking extraversion and neuroticism to anatomical and functional brain markers. Here, we aimed to test the theoretically derived biological personality model as proposed by Eysenck using graph theoretical analyses. Specifically, the association between the topological organization of whole-brain functional networks and extraversion/neuroticism was explored. To construct functional brain networks, functional connectivity among 90 brain regions was measured by temporal correlation using resting-state functional magnetic resonance imaging (fMRI) data of 71 healthy subjects. Graph theoretical analysis revealed a positive association of extraversion scores and normalized clustering coefficient values. These results suggested a more clustered configuration in brain networks of individuals high in extraversion, which could imply a higher arousal threshold and higher levels of arousal tolerance in the cortex of extraverts. On a local network level, we observed that a specific nodal measure, i.e., betweenness centrality (BC), was positively associated with neuroticism scores in the right precentral gyrus (PreCG), right caudate nucleus, right olfactory cortex, and bilateral amygdala. For individuals high in neuroticism, these results suggested a more frequent participation of these specific regions in information transition within the brain network and, in turn, may partly explain greater regional activation levels and lower arousal thresholds in these regions. In contrast, extraversion scores were positively correlated with BC in the right insula, while negatively correlated with BC in the bilateral middle temporal gyrus (MTG), indicating that the relationship between extraversion and regional arousal is not as simple as proposed by Eysenck.

Personality Subtypes among Driving-While-Intoxicated Offenders: Relationship to Drinking Behavior and Driving Risk.

ERIC Educational Resources Information Center

Donovan, Dennis M.; Marlatt, G. Alan

1982-01-01

Investigated the empirical derivation of clinically and theoretically meaningful subtypes among males arrested for driving while intoxicated. Five subtypes were defined through cluster analysis of driving--attitudinal, personality, and hostility measures. Two subtypes were found to have particularly high levels of risk-enhancing traits. (Author)

Developmental Implications of the Levels of Processing Memory Framework.

ERIC Educational Resources Information Center

Naus, Mary J.

The levels of processing framework for understanding memory development has generated little empirical or theoretical work that furthers an understanding of the developmental memory system. Although empirical studies by those testing the levels of processing framework have demonstrated that mnemonic strategies employed by children are the critical…

Thermochemistry, Tautomerism, and Thermal Decomposition of 1,5-Diaminotetrazole: A High-Level ab Initio Study.

PubMed

Shakhova, Margarita V; Muravyev, Nikita V; Gritsan, Nina P; Kiselev, Vitaly G

2018-04-19

Thermochemistry, kinetics, and mechanism of thermal decomposition of 1,5-diaminotetrazole (DAT), a widely used "building block" of nitrogen-rich energetic compounds, were studied theoretically at a high and reliable level of theory (viz., using the explicitly correlated CCSD(T)-F12/aug-cc-pVTZ procedure). Quantum chemical calculations provided detailed insight into the thermolysis mechanism of DAT missing in the existing literature. Moreover, several contradictory assumptions on the mechanism and key intermediates of thermolysis were resolved. The unimolecular primary decomposition reactions of the seven isomers of DAT were studied in the gas phase and in the melt using a simplified model of the latter. The two-step reaction of N 2 elimination from the diamino tautomer was found to be the primary decomposition process of DAT in the gas phase and melt. The effective Arrhenius parameters of this process were calculated to be E a = 43.4 kcal mol -1 and log( A/s -1 ) = 15.2 in a good agreement with the experimental values. Contrary to the existing literature data, all other decomposition channels of DAT isomers turned out to be kinetically unimportant. Apart from this, a new primary decomposition channel yielding N 2 , cyanamide, and 1,1-diazene was found for some H-bonded dimers of DAT. We also determined a reliable and mutually consistent set of thermochemical values for DAT (Δ f H solid 0 = 74.5 ± 1.5 kcal·mol -1 ) by combining theoretically calculated (W1 multilevel procedure along with an isodesmic reaction) gas phase enthalpy of formation (Δ f H gas 0 = 100.7 ± 1.0 kcal·mol -1 ) and experimentally measured sublimation enthalpy (Δ sub H 0 = 26.2 ± 0.5 kcal·mol -1 ).

The effects of merit-based financial aid on drinking in college.

PubMed

Cowan, Benjamin W; White, Dustin R

2015-12-01

We study the effect of state-level merit aid programs (such as Georgia's HOPE scholarship) on alcohol consumption among college students. Such programs have the potential to affect drinking through a combination of channels--such as raising students' disposable income and increasing the incentive to maintain a high GPA--that could theoretically raise or lower alcohol use. We find that the presence of a merit-aid program in one's state generally leads to an overall increase in (heavy) drinking. This effect is concentrated among men, students with lower parental education, older students, and students with high college GPA's. Our findings are robust to several alternative empirical specifications including event-study analyses by year of program adoption. Furthermore, no difference in high-school drinking is observed for students attending college in states with merit-aid programs. Copyright © 2015 Elsevier B.V. All rights reserved.

Gödel, Tarski, Turing and the Conundrum of Free Will

NASA Astrophysics Data System (ADS)

Nayakar, Chetan S. Mandayam; Srikanth, R.

2014-07-01

The problem of defining and locating free will (FW) in physics is studied. On the basis of logical paradoxes, we argue that FW has a metatheoretic character, like the concept of truth in Tarski's undefinability theorem. Free will exists relative to a base theory if there is freedom to deviate from the deterministic or indeterministic dynamics in the theory, with the deviations caused by parameters (representing will) in the meta-theory. By contrast, determinism and indeterminism do not require meta-theoretic considerations in their formalization, making FW a fundamentally new causal primitive. FW exists relative to the meta-theory if there is freedom for deviation, due to higher-order causes. Absolute free will, which corresponds to our intuitive introspective notion of free will, exists if this meta-theoretic hierarchy is infinite. We argue that this hierarchy corresponds to higher levels of uncomputability. In other words, at any finitely high order in the hierarchy, there are uncomputable deviations from the law at that order. Applied to the human condition, the hierarchy corresponds to deeper levels of the subconscious or unconscious mind. Possible ramifications of our model for physics, neuroscience and artificial intelligence (AI) are briefly considered.

Reactivity of Criegee Intermediates toward Carbon Dioxide.

PubMed

Lin, Yen-Hsiu; Takahashi, Kaito; Lin, Jim Jr-Min

2018-01-04

Recent theoretical work by Kumar and Francisco suggested that the high reactivity of Criegee intermediates (CIs) could be utilized for designing efficient carbon capture technologies. Because the anti-CH 3 CHOO + CO 2 reaction has the lowest barrier in their study, we chose to investigate it experimentally. We probed anti-CH 3 CHOO with its strong UV absorption at 365 nm and measured the rate coefficient to be ≤2 × 10 -17 cm 3 molecule -1 s -1 at 298 K, which is consistent with our theoretical value of 2.1 × 10 -17 cm 3  molecule -1 s -1 at the QCISD(T)/CBS//B3LYP/6-311+G(2d,2p) level but inconsistent with their results obtained at the M06-2X/aug-cc-pVTZ level, which tends to underestimate the barrier heights. The experimental result indicates that the reaction of a Criegee intermediate with atmospheric CO 2 (400 ppmv) would be inefficient (k eff < 0.2 s -1 ) and cannot compete with other decay processes of Criegee intermediates like reactions with water vapor (∼10 3 s -1 ) or thermal decomposition (∼10 2 s -1 ).

Do dihydroxymagnesium carboxylates form Grignard-type reagents? A theoretical investigation on decarboxylative fragmentation.

PubMed

Ruf, Alexander; Kanawati, Basem; Schmitt-Kopplin, Philippe

2018-03-27

Dihydroxymagnesium carboxylates [(OH) 2 MgO 2 CR] were probed for decarboxylation on a theoretical level, by utilizing both Møller-Plesset perturbation theory (MP2) and density functional theory (B3LYP-DFT) computations. This study is connected to the question of whether this recently introduced, astrobiologically relevant chemical class may form Grignard-type reagent molecules. To extract trends for a broad molecular mass range, different linear alkyl chain lengths between C 4 and C 11 were computed. The forward energy barrier for decarboxylation reactions increases linearly as a function of the ligand's chain length. Decarboxylation-type fragmentations of these organomagnesium compounds seem to be improbable in non-catalytic, low energetic environments. A high forward energy barrier (E MP2  > 55 kcal mol -1 ) towards a described transition state restricts the release of CO 2 . Nevertheless, we propose the release of CO 2 on a theoretical level, as been revealed via an intramolecular nucleophilic attack mechanism. Once the challenging transition state for decarboxylation is overcome, a stable Mg-C bond is formed. These mechanistic insights were gained by help of natural bond orbital analysis. The Cα atom (first carbon atom in the ligand chain attached to the carboxyl group) is thought to prefer binding towards the electrophilic magnesium coordination center, rather than towards the electrophilic CO 2 -carbon atom. Additionally, the putatively formed Grignard-type OH-bearing product molecules possess a more polarized Mg-C bond in comparison to RMgCl species. Therefore, carbanion formation from OH-bearing Grignard-type molecules is made feasible for triggering C-C bond formation reactions. Graphical abstract This study asks whether recently introduced, astrobiologically dihydroxymagnesium carboxylates form Grignard-type reagent molecules via decarboxylative fragmentation.

Theoretical and hands-on guidance from dental hygienists promotes good oral health in elderly people living in nursing homes, a pilot study.

PubMed

Seleskog, B; Lindqvist, L; Wårdh, I; Engström, A; von Bültzingslöwen, I

2018-04-12

Oral health in nursing homes for elderly is often unsatisfactory, and oral health education to nursing staff has not shown sufficient results why there is need for novel approaches. The aim of the study was to trial a new oral healthcare educational programme and to evaluate the effects on residents' oral health. In addition, attitudes among the nursing staff in the intervention nursing home were explored. In a controlled clinical trial, two comparable nursing homes were randomly assigned for intervention or control. Interventions included weekly theoretical and hands-on guidance from dental hygienists on oral hygiene procedures and discussions on oral care routines. The residents' oral health, measured by the Revised Oral Assessment Guide (ROAG), dental plaque and gingival bleeding were evaluated at baseline and after 3 months. Attitudes among the staff to oral health care were measured at the intervention nursing home. Revised Oral Assessment Guide gums and lips scores showed a tendency to decrease in the intervention group, but remained high in the control group. Plaque levels improved significantly after intervention, and a trend towards less gingival bleeding was observed. The intervention nursing staff seemed to be more aware of their own limitations concerning oral health care after intervention and valued more frequent contact with dental services to a greater extent. The oral healthcare situation for elderly people today is so complex that theoretical education at the group level regarding different aspects of oral health is not sufficient. Individual hands-on guidance by dental hygienists on a regular basis in everyday care may be a new approach. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

The quest for a general theory of aging and longevity.

PubMed

Gavrilov, Leonid A; Gavrilova, Natalia S

2003-07-16

Extensive studies of phenomena related to aging have produced many diverse findings, which require a general theoretical framework to be organized into a comprehensive body of knowledge. As demonstrated by the success of evolutionary theories of aging, quite general theoretical considerations can be very useful when applied to research on aging. In this theoretical study, we attempt to gain insight into aging by applying a general theory of systems failure known as reliability theory. Considerations of this theory lead to the following conclusions: (i) Redundancy is a concept of crucial importance for understanding aging, particularly the systemic nature of aging. Systems that are redundant in numbers of irreplaceable elements deteriorate (that is, age) over time, even if they are built of elements that do not themselves age. (ii) An apparent aging rate or expression of aging is higher for systems that have higher levels of redundancy. (iii) Redundancy exhaustion over the life course explains a number of observations about mortality, including mortality convergence at later life (when death rates are becoming relatively similar at advanced ages for different populations of the same species) as well as late-life mortality deceleration, leveling off, and mortality plateaus. (iv) Living organisms apparently contain a high load of initial damage from the early stages of development, and therefore their life span and aging patterns may be sensitive to early-life conditions that determine this initial damage load. Thus, the reliability theory provides a parsimonious explanation for many important aging-related phenomena and suggests a number of interesting testable predictions. We therefore suggest adding the reliability theory to the arsenal of methodological approaches applied to research on aging.

High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogen.

PubMed

Meana-Pañeda, Rubén; Truhlar, Donald G; Fernández-Ramos, Antonio

2011-03-07

We report a detailed theoretical study of the hydrogen abstraction reaction from methanol by atomic hydrogen. The study includes the analysis of thermal rate constants, branching ratios, and kinetic isotope effects. Specifically, we have performed high-level computations at the MC3BB level together with direct dynamics calculations by canonical variational transition state theory (CVT) with the microcanonically optimized multidimensional tunneling (μOMT) transmission coefficient (CVT/μOMT) to study both the CH(3)OH+H→CH(2)OH+H(2) (R1) reaction and the CH(3)OH+H→CH(3)O+H(2) (R2) reaction. The CVT/μOMT calculations show that reaction R1 dominates in the whole range 298≤T (K)≤2500 and that anharmonic effects on the torsional mode about the C-O bond are important, mainly at high temperatures. The activation energy for the total reaction sum of R1 and R2 reactions changes substantially with temperature and, therefore, the use of straight-line Arrhenius plots is not valid. We recommend the use of new expressions for the total R1 + R2 reaction and for the R1 and R2 individual reactions. © 2011 American Institute of Physics.

Experimental and theoretical studies on the structural, spectroscopic and hydrogen bonding on 4-nitro-n-(2,4-dinitrophenyl) benzenamine

NASA Astrophysics Data System (ADS)

Subhapriya, G.; Kalyanaraman, S.; Jeyachandran, M.; Ragavendran, V.; Krishnakumar, V.

2018-04-01

Synthesized 4-nitro-N-(2,4-dinitrophenyl) benzenamine (NDPBA) molecule was confirmed applying the tool of NMR. Theoretical prediction addressed the NMR chemical shifts and correlated well with the experimental data. The molecule subjected to theoretical DFT at 6-311++G** level unraveled the spectroscopic and structural properties of the NDPBA molecule. Moreover the structural features proved the occurrence of intramolecular Nsbnd H· · O hydrogen bonding in the molecule which was further confirmed with the help of Frontier molecular orbital analysis. Vibrational spectroscopic characterization through FT-IR and Raman experimentally and theoretically gave an account for the vibrational properties. An illustration of the topology of the molecule theoretically helped also in finding the hydrogen bonding energy.

Application of Plasma Waveguides to High Energy Accelerators

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

Milchberg, Howard M

2013-03-30

The eventual success of laser-plasma based acceleration schemes for high-energy particle physics will require the focusing and stable guiding of short intense laser pulses in reproducible plasma channels. For this goal to be realized, many scientific issues need to be addressed. These issues include an understanding of the basic physics of, and an exploration of various schemes for, plasma channel formation. In addition, the coupling of intense laser pulses to these channels and the stable propagation of pulses in the channels require study. Finally, new theoretical and computational tools need to be developed to aid in the design and analysismore » of experiments and future accelerators. Here we propose a 3-year renewal of our combined theoretical and experimental program on the applications of plasma waveguides to high-energy accelerators. During the past grant period we have made a number of significant advances in the science of laser-plasma based acceleration. We pioneered the development of clustered gases as a new highly efficient medium for plasma channel formation. Our contributions here include theoretical and experimental studies of the physics of cluster ionization, heating, explosion, and channel formation. We have demonstrated for the first time the generation of and guiding in a corrugated plasma waveguide. The fine structure demonstrated in these guides is only possible with cluster jet heating by lasers. The corrugated guide is a slow wave structure operable at arbitrarily high laser intensities, allowing direct laser acceleration, a process we have explored in detail with simulations. The development of these guides opens the possibility of direct laser acceleration, a true miniature analogue of the SLAC RF-based accelerator. Our theoretical studies during this period have also contributed to the further development of the simulation codes, Wake and QuickPIC, which can be used for both laser driven and beam driven plasma based acceleration schemes. We will continue our development of advanced simulation tools by modifying the QuickPIC algorithm to allow for the simulation of plasma particle pick-up by the wake fields. We have also performed extensive simulations of plasma slow wave structures for efficient THz generation by guided laser beams or accelerated electron beams. We will pursue experimental studies of direct laser acceleration, and THz generation by two methods, ponderomotive-induced THz polarization, and THz radiation by laser accelerated electron beams. We also plan to study both conventional and corrugated plasma channels using our new 30 TW in our new lab facilities. We will investigate production of very long hydrogen plasma waveguides (5 cm). We will study guiding at increasing power levels through the onset of laser-induced cavitation (bubble regime) to assess the role played by the preformed channel. Experiments in direct acceleration will be performed, using laser plasma wakefields as the electron injector. Finally, we will use 2-colour ionization of gases as a high frequency THz source (<60 THz) in order for femtosecond measurements of low plasma densities in waveguides and beams.« less

Design of a high-speed optical dark-soliton detector using a phase-shifted waveguide Bragg grating in reflection.

PubMed

Ngo, Nam Quoc

2007-12-01

A theoretical study of a new application of a simple pi-phase-shifted waveguide Bragg grating (PSWBG) in reflection mode as a high-speed optical dark-soliton detector is presented. The PSWBG consists of two concatenated identical uniform waveguide Bragg gratings with a pi phase shift between them. The reflective PSWBG, with grating reflectivities equal to 0.9, a free spectral range of 1.91 THz, and a nonlinear phase response, can convert a 40 Gbit/s noisy dark-soliton signal into a high-quality 40 Gbit/s return-to-zero signal with a peak power level of approximately 17.5 dB greater than that by the existing Mach-Zehnder interferometer with free spectral range of 1.91 THz and a linear phase response.

College Students' Attention Behaviors during Independent Study and Course Level Academic Performance

ERIC Educational Resources Information Center

Wagner, Linda G.

2012-01-01

Students in college make daily choices about how to use their independent study time, including choices about allocation of attention. Based on theoretical considerations and clinical studies, attention and the dividing of attention through multitasking is thought to have a relationship to performance levels. Research is only beginning to explore,…

Enhanced modeling and simulation of EO/IR sensor systems

NASA Astrophysics Data System (ADS)

Hixson, Jonathan G.; Miller, Brian; May, Christopher

2015-05-01

The testing and evaluation process developed by the Night Vision and Electronic Sensors Directorate (NVESD) Modeling and Simulation Division (MSD) provides end to end systems evaluation, testing, and training of EO/IR sensors. By combining NV-LabCap, the Night Vision Integrated Performance Model (NV-IPM), One Semi-Automated Forces (OneSAF) input sensor file generation, and the Night Vision Image Generator (NVIG) capabilities, NVESD provides confidence to the M&S community that EO/IR sensor developmental and operational testing and evaluation are accurately represented throughout the lifecycle of an EO/IR system. This new process allows for both theoretical and actual sensor testing. A sensor can be theoretically designed in NV-IPM, modeled in NV-IPM, and then seamlessly input into the wargames for operational analysis. After theoretical design, prototype sensors can be measured by using NV-LabCap, then modeled in NV-IPM and input into wargames for further evaluation. The measurement process to high fidelity modeling and simulation can then be repeated again and again throughout the entire life cycle of an EO/IR sensor as needed, to include LRIP, full rate production, and even after Depot Level Maintenance. This is a prototypical example of how an engineering level model and higher level simulations can share models to mutual benefit.

A fit-for-purpose approach to analytical sensitivity applied to a cardiac troponin assay: time to escape the 'highly-sensitive' trap.

PubMed

Ungerer, Jacobus P J; Pretorius, Carel J

2014-04-01

Highly-sensitive cardiac troponin (cTn) assays are being introduced into the market. In this study we argue that the classification of cTn assays into sensitive and highly-sensitive is flawed and recommend a more appropriate way to characterize analytical sensitivity of cTn assays. The raw data of 2252 cardiac troponin I (cTnI) tests done in duplicate with a 'sensitive' assay was extracted and used to calculate the cTnI levels in all, including those below the 'limit of detection' (LoD) that were censored. Duplicate results were used to determine analytical imprecision. We show that cTnI can be quantified in all samples including those with levels below the LoD and that the actual margins of error decrease as concentrations approach zero. The dichotomous classification of cTn assays into sensitive and highly-sensitive is theoretically flawed and characterizing analytical sensitivity as a continuous variable based on imprecision at 0 and the 99th percentile cut-off would be more appropriate.

[Validation of a dietary habits questionnaire related to fats and sugars intake].

PubMed

Aráuz Hernández, Ana Gladys; Roselló Araya, Marlene; Guzmán Padilla, Sonia; Padilla Vargas, Gioconda

2008-12-01

The objective of this study was to design and validate a psychometric tool to measure dietary practices related to the intake of fats and sugars in a sample of overweight and obese adults. Classical test theory was applied. The validated construct was dietary habits, and the following theoretical dimensions were utilized: exclusion, modification, substitution and replacement. These had been previously defined in similar studies conducted in other countries. The tool was validated with 139 adults, males and females, with body mass indexes equal to or higher than 25. Construct validity for each section of the tool was obtained through factor analysis. The final tool was made up of 47 items. Cronbach's Alpha reliability coefficient was 0.948, which indicates a highly satisfactory internal consistency. Using sediment graph data and factor analysis of the four proposed theoretical dimensions of behavior, items were fused into two dimensions with a cumulative variance of 58%. These were renamed "elimination" and "modification". Cronbach's Alphas were 0.906 and 0.873, respectively, indicating a high level of reliability for construct measurement. Results show the need to adapt foreign tools to our socio-cultural context before utilizing them in interventions intended to modify dietary patterns, since these are interrelated to other aspects of the culture itself.

Production of platinum radioisotopes at Brookhaven Linac Isotope Producer (BLIP)

NASA Astrophysics Data System (ADS)

Smith, Suzanne V.; McCutchan, Elizabeth; Gürdal, Gülhan; Lister, Christopher; Muench, Lisa; Nino, Michael; Sonzogni, Alexandro; Herman, Michal; Nobre, Gustavo; Cullen, Chris; Chillery, Thomas; Chowdury, Partha; Harding, Robert

2017-09-01

The accelerator production of platinum isotopes was investigated at the Brookhaven Linac Isotope Producer (BLIP). In this study high purity natural platinum foils were irradiated at 53.2, 65.7, 105.2, 151.9, 162.9 and 173.3.MeV. The irradiated foils were digested in aqua regia and then converted to their hydrochloride salt with concentrated hydrochloric acid before analyzing by gamma spectrometry periodically for at least 10 days post end of bombardment. A wide range of platinum (Pt), gold (Au) and iridium (Ir) isotopes were identified. Effective cross sections at BLIP for Pt-188, Pt-189, Pt-191 and Pt-195m were compared to literature and theoretical cross sections determined using Empire-3.2. The majority of the effective cross sections (<70 MeV) confirm those reported in the literature. While the absolute values of the theoretical cross sections were up to a factor of 3 lower, Empire 3.2 modeled thresholds and maxima correlated well with experimental values. Preliminary evaluation into a rapid separation of Pt isotopes from high levels of Ir and Au isotopes proved to be a promising approach for large scale production. In conclusion, this study demonstrated that with the use of isotopically enriched target material accelerator production of selected platinum isotopes is feasible over a wide proton energy range.

TheoReTS - An information system for theoretical spectra based on variational predictions from molecular potential energy and dipole moment surfaces

NASA Astrophysics Data System (ADS)

Rey, Michaël; Nikitin, Andrei V.; Babikov, Yurii L.; Tyuterev, Vladimir G.

2016-09-01

Knowledge of intensities of rovibrational transitions of various molecules and theirs isotopic species in wide spectral and temperature ranges is essential for the modeling of optical properties of planetary atmospheres, brown dwarfs and for other astrophysical applications. TheoReTS ("Theoretical Reims-Tomsk Spectral data") is an Internet accessible information system devoted to ab initio based rotationally resolved spectra predictions for some relevant molecular species. All data were generated from potential energy and dipole moment surfaces computed via high-level electronic structure calculations using variational methods for vibration-rotation energy levels and transitions. When available, empirical corrections to band centers were applied, all line intensities remaining purely ab initio. The current TheoReTS implementation contains information on four-to-six atomic molecules, including phosphine, methane, ethylene, silane, methyl-fluoride, and their isotopic species 13CH4 , 12CH3D , 12CH2D2 , 12CD4 , 13C2H4, … . Predicted hot methane line lists up to T = 2000 K are included. The information system provides the associated software for spectra simulation including absorption coefficient, absorption and emission cross-sections, transmittance and radiance. The simulations allow Lorentz, Gauss and Voight line shapes. Rectangular, triangular, Lorentzian, Gaussian, sinc and sinc squared apparatus function can be used with user-defined specifications for broadening parameters and spectral resolution. All information is organized as a relational database with the user-friendly graphical interface according to Model-View-Controller architectural tools. The full-featured web application is written on PHP using Yii framework and C++ software modules. In case of very large high-temperature line lists, a data compression is implemented for fast interactive spectra simulations of a quasi-continual absorption due to big line density. Applications for the TheoReTS may include: education/training in molecular absorption/emission, radiative and non-LTE processes, spectroscopic applications, opacity calculations for planetary and astrophysical applications. The system is freely accessible via internet on the two mirror sites: in Reims, France

Dynamic-thresholding level set: a novel computer-aided volumetry method for liver tumors in hepatic CT images

NASA Astrophysics Data System (ADS)

Cai, Wenli; Yoshida, Hiroyuki; Harris, Gordon J.

2007-03-01

Measurement of the volume of focal liver tumors, called liver tumor volumetry, is indispensable for assessing the growth of tumors and for monitoring the response of tumors to oncology treatments. Traditional edge models, such as the maximum gradient and zero-crossing methods, often fail to detect the accurate boundary of a fuzzy object such as a liver tumor. As a result, the computerized volumetry based on these edge models tends to differ from manual segmentation results performed by physicians. In this study, we developed a novel computerized volumetry method for fuzzy objects, called dynamic-thresholding level set (DT level set). An optimal threshold value computed from a histogram tends to shift, relative to the theoretical threshold value obtained from a normal distribution model, toward a smaller region in the histogram. We thus designed a mobile shell structure, called a propagating shell, which is a thick region encompassing the level set front. The optimal threshold calculated from the histogram of the shell drives the level set front toward the boundary of a liver tumor. When the volume ratio between the object and the background in the shell approaches one, the optimal threshold value best fits the theoretical threshold value and the shell stops propagating. Application of the DT level set to 26 hepatic CT cases with 63 biopsy-confirmed hepatocellular carcinomas (HCCs) and metastases showed that the computer measured volumes were highly correlated with those of tumors measured manually by physicians. Our preliminary results showed that DT level set was effective and accurate in estimating the volumes of liver tumors detected in hepatic CT images.

Study the performance of star sensor influenced by space radiation damage of image sensor

NASA Astrophysics Data System (ADS)

Feng, Jie; Li, Yudong; Wen, Lin; Guo, Qi; Zhang, Xingyao

2018-03-01

Star sensor is an essential component of spacecraft attitude control system. Spatial radiation can cause star sensor performance degradation, abnormal work, attitude measurement accuracy and reliability reduction. Many studies have already been dedicated to the radiation effect on Charge-Coupled Device(CCD) image sensor, but fewer studies focus on the radiation effect of star sensor. The innovation of this paper is to study the radiation effects from the device level to the system level. The influence of the degradation of CCD image sensor radiation sensitive parameters on the performance parameters of star sensor is studied in this paper. The correlation among the radiation effect of proton, the non-uniformity noise of CCD image sensor and the performance parameter of star sensor is analyzed. This paper establishes a foundation for the study of error prediction and correction technology of star sensor on-orbit attitude measurement, and provides some theoretical basis for the design of high performance star sensor.

Electronic and structural ground state of heavy alkali metals at high pressure

DOE PAGES

Fabbris, G.; Lim, J.; Veiga, L. S. I.; ...

2015-02-17

Here, alkali metals display unexpected properties at high pressure, including emergence of low symmetry crystal structures, that appear to occur due to enhanced electronic correlations among the otherwise nearly-free conduction electrons. We investigate the high pressure electronic and structural ground state of K, Rb, and Cs using x-ray absorption spectroscopy and x-ray diffraction measurements together with ab initio theoretical calculations. The sequence of phase transitions under pressure observed at low temperature is similar in all three heavy alkalis except for the absence of the oC84 phase in Cs. Both the experimental and theoretical results point to pressure-enhanced localization of themore » valence electrons characterized by pseudo-gap formation near the Fermi level and strong spd hybridization. Although the crystal structures predicted to host magnetic order in K are not observed, the localization process appears to drive these alkalis closer to a strongly correlated electron state.« less

Numerical study on the Welander oscillatory natural circulation problem using high-order numerical methods

DOE PAGES

Zou, Ling; Zhao, Haihua; Kim, Seung Jun

2016-11-16

In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

A theoretical study of the structure and thermochemical properties of alkali metal fluoroplumbates MPbF3.

PubMed

Boltalin, A I; Korenev, Yu M; Sipachev, V A

2007-07-19

Molecular constants of MPbF3 (M=Li, Na, K, Rb, and Cs) were calculated theoretically at the MP2(full) and B3LYP levels with the SDD (Pb, K, Rb, and Cs) and cc-aug-pVQZ (F, Li, and Na) basis sets to determine the thermochemical characteristics of the substances. Satisfactory agreement with experiment was obtained, including the unexpected nonmonotonic dependence of substance dissociation energies on the alkali metal atomic number. The bond lengths of the theoretical CsPbF3 model were substantially elongated compared with experimental estimates, likely because of errors in both theoretical calculations and electron diffraction data processing.

Vitamin D, Hypercalciuria and Kidney Stones

PubMed Central

Letavernier, Emmanuel; Daudon, Michel

2018-01-01

The estimated lifetime risk of nephrolithiasis is growing nowadays, and the formation of kidney stones is frequently promoted by hypercalciuria. Vitamin D, and especially its active metabolite calcitriol, increase digestive calcium absorption—as urinary calcium excretion is directly correlated with digestive calcium absorption, vitamin D metabolites could theoretically increase calciuria and promote urinary stone formation. Nevertheless, there was, until recently, low evidence that 25-hydroxyvitamin D serum levels would be correlated with kidney stone formation, even if high calcitriol concentrations are frequently observed in hypercalciuric stone formers. Low 25-hydroxyvitamin D serum levels have been associated with a broad spectrum of diseases, leading to a huge increase in vitamin D prescription in the general population. In parallel, an increased frequency of kidney stone episodes has been observed in prospective studies evaluating vitamin D alone or in association with calcium supplements, and epidemiological studies have identified an association between high 25-hydroxyvitamin D serum levels and kidney stone formation in some groups of patients. Moreover, urinary calcium excretion has been shown to increase in response to vitamin D supplements, at least in some groups of kidney stone formers. It seems likely that predisposed individuals may develop hypercalciuria and kidney stones in response to vitamin D supplements. PMID:29562593

Study preferences for exemplar variability in self-regulated category learning.

PubMed

Wahlheim, Christopher N; DeSoto, K Andrew

2017-02-01

Increasing exemplar variability during category learning can enhance classification of novel exemplars from studied categories. Four experiments examined whether participants preferred variability when making study choices with the goal of later classifying novel exemplars. In Experiments 1-3, participants were familiarised with exemplars of birds from multiple categories prior to making category-level assessments of learning and subsequent choices about whether to receive more variability or repetitions of exemplars during study. After study, participants classified novel exemplars from studied categories. The majority of participants showed a consistent preference for variability in their study, but choices were not related to category-level assessments of learning. Experiment 4 provided evidence that study preferences were based primarily on theoretical beliefs in that most participants indicated a preference for variability on questionnaires that did not include prior experience with exemplars. Potential directions for theoretical development and applications to education are discussed.

Theory overview of tree-level B decays

NASA Astrophysics Data System (ADS)

De Fazio, F.

2017-07-01

I describe the theoretical progress in the study of semileptonic tree-level B decays, and its interplay with recent experimental results. In particular, I focus on two anomalies: the ratios $R(D^{(*)})=\\displaystyle\\frac{{\\cal B}(B \\to D^{(*)} \\tau \\bar \

Improved High/Low Junction Silicon Solar Cell

NASA Technical Reports Server (NTRS)

Neugroschel, A.; Pao, S. C.; Lindholm, F. A.; Fossum, J. G.

1986-01-01

Method developed to raise value of open-circuit voltage in silicon solar cells by incorporating high/low junction in cell emitter. Power-conversion efficiency of low-resistivity silicon solar cell considerably less than maximum theoretical value mainly because open-circuit voltage is smaller than simple p/n junction theory predicts. With this method, air-mass-zero opencircuit voltage increased from 600 mV level to approximately 650 mV.

Extraordinary variation of pump light intensity inside a four-level solid-state laser medium

NASA Astrophysics Data System (ADS)

Qin, Hua; Fu, Rulian; Wang, Zhaoqi; Liu, Juan

2008-08-01

A theoretical investigation of the absorption of the pump light at different intensities through a four-level solid-state laser medium is presented. It is found that the variation of the pump intensity inside the laser medium cannot always simply be dominated by Beer's law. Transmission of the pump light through this laser medium is closely related to the pump intensity itself. In fact, when the pump intensity is relatively low, whose values depend on the characteristics of the medium, the variation of the pump light through the laser medium is consistent with Beer's law. However, while the pump intensity is high enough, the relationship between the transmission of the pump light and its propagation distance is demonstrated to be linear. These theoretical results have been confirmed by the experiment with a medium of YAG:Nd.

The Electronic Ground State of the Nitrate Radical: a Decade of Controversy

NASA Astrophysics Data System (ADS)

Stanton, John F.

2017-06-01

In the ten years since the traditional assignment of its degenerate stretching fundamental became controversial, a great deal of work - both theoretical and experimental - has been done on the NO_3 molecule. A brief review of these developments will be given, and results of very high-level calculations of the dispersed fluorescence and negative ion photoelectron spectra of this molecule will be presented together with the corresponding experimental results. In addition, the question of "what is next to do" on the ground state - from a theoretical point of view - will be addressed. Time permitting, some discussion will also be devoted to the strongly Jahn-Teller active ^2E^{''} (first excited) electronic state, where the level of understanding and agreement thus far obtained from experiment and theory is still at a rather primitive stage.

Resistivity, carrier trapping, and polarization phenomenon in semiconductor radiation detection materials

NASA Astrophysics Data System (ADS)

Du, Mao-Hua; Biswas, Koushik; Singh, David J.

2012-10-01

In this paper, we report theoretical studies of native defects and dopants in a number of room-temperature semiconductor radiation detection materials, i.e., CdTe, TlBr, and Tl6SeI4. We address several important questions, such as what causes high resistivity in these materials, what explains good μτ product (carrier mobility-lifetime product) in soft-lattice ionic compounds that have high defect density, and how to obtain high resistivity and low carrier trapping simultaneously. Our main results are: (1) shallow donors rather than deep ones are responsible for high resistivity in high-quality detectorgrade CdTe; (2) large dielectric screening and the lack of deep levels from low-energy native defects may contribute to the good μτ products for both electrons and holes in TlBr; (3) the polarization phenomenon in Tl6SeI4 is expected to be much reduced compared to that in TlBr.

Theoretical and Computational Investigation of High-Brightness Beams

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

Chen, Chiping

Theoretical and computational investigations of adiabatic thermal beams have been carried out in parameter regimes relevant to the development of advanced high-brightness, high-power accelerators for high-energy physics research and for various applications such as light sources. Most accelerator applications require high-brightness beams. This is true for high-energy accelerators such as linear colliders. It is also true for energy recovery linacs (ERLs) and free electron lasers (FELs) such as x-ray free electron lasers (XFELs). The breakthroughs and highlights in our research in the period from February 1, 2013 to November 30, 2013 were: a) Completion of a preliminary theoretical and computationalmore » study of adiabatic thermal Child-Langmuir flow (Mok, 2013); and b) Presentation of an invited paper entitled ?Adiabatic Thermal Beams in a Periodic Focusing Field? at Space Charge 2013 Workshop, CERN, April 16-19, 2013 (Chen, 2013). In this report, an introductory background for the research project is provided. Basic theory of adiabatic thermal Child-Langmuir flow is reviewed. Results of simulation studies of adiabatic thermal Child-Langmuir flows are discussed.« less

A theoretical analysis of the effect of thrust-related turbulence distortion on helicopter rotor low-frequency broadband noise

NASA Technical Reports Server (NTRS)

Williams, M.; Harris, W. L.

1984-01-01

The purpose of the analysis is to determine if inflow turbulence distortion may be a cause of experimentally observed changes in sound pressure levels when the rotor mean loading is varied. The effect of helicopter rotor mean aerodynamics on inflow turbulence is studied within the framework of the turbulence rapid distortion theory developed by Pearson (1959) and Deissler (1961). The distorted inflow turbulence is related to the resultant noise by conventional broadband noise theory. A comparison of the distortion model with experimental data shows that the theoretical model is unable to totally explain observed increases in model rotor sound pressures with increased rotor mean thrust. Comparison of full scale rotor data with the theoretical model shows that a shear-type distortion may explain decreasing sound pressure levels with increasing thrust.

Negative Cognitive Styles Synergistically Predict Suicidal Ideation in Bipolar Spectrum Disorders: A Three-Year Prospective Study

PubMed Central

Stange, Jonathan P.; Hamilton, Jessica L.; Burke, Taylor A.; Kleiman, Evan M.; O’Garro-Moore, Jared K.; Seligman, Nicole D.; Abramson, Lyn Y.; Alloy, Lauren B.

2015-01-01

Rates of suicidal ideation and behavior are extremely high in Bipolar Spectrum Disorders (BSDs). However, relatively little work has evaluated potentially synergistic relationships between cognitive and emotion-regulatory processes proposed by theoretical models of suicidality in BSDs. The present study evaluated whether negative cognitive style and subtypes of rumination would exacerbate the impact of self-criticism on suicidal ideation in a prospective study of individuals with BSDs. Seventy-two young adults with BSDs (bipolar II, bipolar NOS, or cyclothymia) completed diagnostic interviews and trait measures of self-criticism, negative cognitive style, and brooding and reflective rumination at a baseline assessment. The occurrence of suicidal ideation was assessed as part of diagnostic interviews completed every four months for an average of three years of follow-up. Negative cognitive style and reflective rumination strengthened the association between self-criticism and the prospective occurrence of suicidal ideation across follow-up. Individuals with high levels of self-criticism in conjunction with negative cognitive style or reflective rumination were most likely to experience the onset of suicidal ideation. Self-criticism may work synergistically with negative cognitive style and rumination to confer risk for suicidal ideation in bipolar spectrum disorders. These results support theoretical models of suicidality in BSDs and indicate that evaluating and understanding negative cognitive styles may help to identify individuals who are at risk for suicide. PMID:25660736

Linking biodiversity to ecosystem function: Implications for conservation ecology

USGS Publications Warehouse

Schwartz, M.W.; Brigham, C.A.; Hoeksema, J.D.; Lyons, K.G.; Mills, M.H.; van Mantgem, P.

2000-01-01

We evaluate the empirical and theoretical support for the hypothesis that a large proportion of native species richness is required to maximize ecosystem stability and sustain function. This assessment is important for conservation strategies because sustenance of ecosystem functions has been used as an argument for the conservation of species. If ecosystem functions are sustained at relatively low species richness, then arguing for the conservation of ecosystem function, no matter how important in its own right, does not strongly argue for the conservation of species. Additionally, for this to be a strong conservation argument the link between species diversity and ecosystem functions of value to the human community must be clear. We review the empirical literature to quantify the support for two hypotheses: (1) species richness is positively correlated with ecosystem function, and (2) ecosystem functions do not saturate at low species richness relative to the observed or experimental diversity. Few empirical studies demonstrate improved function at high levels of species richness. Second, we analyze recent theoretical models in order to estimate the level of species richness required to maintain ecosystem function. Again we find that, within a single trophic level, most mathematical models predict saturation of ecosystem function at a low proportion of local species richness. We also analyze a theoretical model linking species number to ecosystem stability. This model predicts that species richness beyond the first few species does not typically increase ecosystem stability. One reason that high species richness may not contribute significantly to function or stability is that most communities are characterized by strong dominance such that a few species provide the vast majority of the community biomass. Rapid turnover of species may rescue the concept that diversity leads to maximum function and stability. The role of turnover in ecosystem function and stability has not been investigated. Despite the recent rush to embrace the linkage between biodiversity and ecosystem function, we find little support for the hypothesis that there is a strong dependence of ecosystem function on the full complement of diversity within sites. Given this observation, the conservation community should take a cautious view of endorsing this linkage as a model to promote conservation goals.

In situ synchrotron study of electromigration induced grain rotations in Sn solder joints

DOE PAGES

Shen, Hao; Zhu, Wenxin; Li, Yao; ...

2016-04-18

In this paper we report an in situ study of the early stage of microstructure evolution induced by electromigration in a Pb-free β-Sn based solder joint by synchrotron polychromatic X-ray microdiffraction. With this technique, crystal orientation evolution is monitored at intragranular levels with high spatial and angular resolution. During the entire experiment, no crystal growth is detected, and rigid grain rotation is observed only in the two grains within the current crowding region, where high density and divergence of electric current occur. Theoretical calculation indicates that the trend of electrical resistance drop still holds under the present conditions in themore » grain with high electrical resistivity, while the other grain with low resistivity reorients to align its a-axis more parallel with the ones of its neighboring grains. A detailed study of dislocation densities and subgrain boundaries suggests that grain rotation in β-Sn, unlike grain rotation in high melting temperature metals which undergo displacive deformation, is accomplished via diffusional process mainly, due to the high homologous temperature.« less

Empowering leaders optimize working conditions for engagement: a multilevel study.

PubMed

Tuckey, Michelle R; Bakker, Arnold B; Dollard, Maureen F

2012-01-01

Using a multilevel framework, this study examined the role of empowering leadership at the group level by fire brigade captains in facilitating the individual level motivational processes that underpin work engagement in volunteer firefighters. Anonymous mail surveys were completed by 540 volunteer firefighters from 68 fire brigades and, separately, by 68 brigade captains. As predicted on the basis of the Job Demands-Resources model, increased levels of cognitive demands and cognitive resources partially mediated the relationship between empowering leadership and work engagement. In a three-way Leadership × Demands × Resources interaction, empowering leadership also had the effect of optimizing working conditions for engagement by strengthening the positive effect of a work context in which both cognitive demands and cognitive resources were high. Our findings shed light on a process through which leaders can empower workers and enhance well-being: via their influence on and interaction with the work environment. They also underscore the need to examine work engagement from a multilevel theoretical perspective.

Inhibition of nuclear waste solutions containing multiple aggressive anions

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

Congdon, J.W.

1988-01-01

The inhibition of localized corrosion of carbon steel in caustic, high-level radioactive waste solutions was studied using cyclic potentiodynamic polarization scans, supplemented by partially immersed coupon tests. The electrochemical tests provided a rapid and accurate means of determining the relationship between the minimum inhibitor requirements and the concentration of the aggressive anions in this system. Nitrate, sulfate, chloride, and fluoride were identified as aggressive anions, however, no synergistic effects were observed between these anions. This observation may have important theoretical implications because it tends to contradict the behavior of aggressive anions as predicted by existing theories for localized corrosion.

Inhibition of nuclear waste solutions containing multiple aggressive anions

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

Congdon, J.W.

1988-05-01

The inhibition of localized corrosion of carbon steel in caustic, high-level radioactive waste solutions was studied using cyclic potentiodynamic polarization scans supplemented by partially immersed coupon tests. The electrochemical tests provided a rapid and accurate means of determining the relationship between the minimum inhibitor requirements and the concentration of the aggressive anions in this system. Nitrate, sulfate, chloride, and fluoride were identified as aggressive anions; however, no synergistic effects were observed between these anions. This observation may have important theoretical implications because it tends to contradict the behavior of aggressive anions as predicted by existing theories for localized corrosion.

Analysis of the experimental level scheme of {sup 61}Cu using computational technique

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

Gupta, Anuradha, E-mail: annu1gupta1@gmail.com; Verma, Preeti, E-mail: preetiverma130587@gmail.com; Bharti, Arun, E-mail: arunbharti-2003@yahoo.co.in

2015-08-28

The high-spin structure in {sup 61}Cu nucleus is studied in terms of effective two body interaction. In order to take into account the deformed BCS basis, the basis states are expanded in terms of the core eigenfunctions. Yrast band with some other bands havew been obtained and back-bending in moment of inertia has also been calculated and compared with the available experimental data for {sup 61}Cu nucleus. On comparing the available experimental as well as other theoretical data, it is found that the treatment with PSM provides a satisfactory explanation of the available data.

A noise model for the evaluation of defect states in solar cells

PubMed Central

Landi, G.; Barone, C.; Mauro, C.; Neitzert, H. C.; Pagano, S.

2016-01-01

A theoretical model, combining trapping/detrapping and recombination mechanisms, is formulated to explain the origin of random current fluctuations in silicon-based solar cells. In this framework, the comparison between dark and photo-induced noise allows the determination of important electronic parameters of the defect states. A detailed analysis of the electric noise, at different temperatures and for different illumination levels, is reported for crystalline silicon-based solar cells, in the pristine form and after artificial degradation with high energy protons. The evolution of the dominating defect properties is studied through noise spectroscopy. PMID:27412097

Advanced educational program in optoelectronics for undergraduates and graduates in electronics

NASA Astrophysics Data System (ADS)

Vladescu, Marian; Schiopu, Paul

2015-02-01

The optoelectronics education included in electronics curricula at Faculty of Electronics, Telecommunications and Information Technology of "Politehnica" University of Bucharest started in early '90s, and evolved constantly since then, trying to address the growing demand of engineers with a complex optoelectronics profile and to meet the increased requirements of microelectronics, optoelectronics, and lately nanotechnologies. Our goal is to provide a high level of theoretical background combined with advanced experimental tools in laboratories, and also with simulation platforms. That's why we propose an advanced educational program in optoelectronics for both grades of our study program, bachelor and master.

Inferring individual-level processes from population-level patterns in cultural evolution.

PubMed

Kandler, Anne; Wilder, Bryan; Fortunato, Laura

2017-09-01

Our species is characterized by a great degree of cultural variation, both within and between populations. Understanding how group-level patterns of culture emerge from individual-level behaviour is a long-standing question in the biological and social sciences. We develop a simulation model capturing demographic and cultural dynamics relevant to human cultural evolution, focusing on the interface between population-level patterns and individual-level processes. The model tracks the distribution of variants of cultural traits across individuals in a population over time, conditioned on different pathways for the transmission of information between individuals. From these data, we obtain theoretical expectations for a range of statistics commonly used to capture population-level characteristics (e.g. the degree of cultural diversity). Consistent with previous theoretical work, our results show that the patterns observed at the level of groups are rooted in the interplay between the transmission pathways and the age structure of the population. We also explore whether, and under what conditions, the different pathways can be distinguished based on their group-level signatures, in an effort to establish theoretical limits to inference. Our results show that the temporal dynamic of cultural change over time retains a stronger signature than the cultural composition of the population at a specific point in time. Overall, the results suggest a shift in focus from identifying the one individual-level process that likely produced the observed data to excluding those that likely did not. We conclude by discussing the implications for empirical studies of human cultural evolution.

Quantum iSWAP gate in optical cavities with a cyclic three-level system

NASA Astrophysics Data System (ADS)

Yan, Guo-an; Qiao, Hao-xue; Lu, Hua

2018-04-01

In this paper we present a scheme to directly implement the iSWAP gate by passing a cyclic three-level system across a two-mode cavity quantum electrodynamics. In the scheme, a three-level Δ -type atom ensemble prepared in its ground state mediates the interaction between the two-cavity modes. For this theoretical model, we also analyze its performance under practical noise, including spontaneous emission and the decay of the cavity modes. It is shown that our scheme may have a high fidelity under the practical noise.

Community-level education accelerates the cultural evolution of fertility decline.

PubMed

Colleran, Heidi; Jasienska, Grazyna; Nenko, Ilona; Galbarczyk, Andrzej; Mace, Ruth

2014-03-22

Explaining why fertility declines as populations modernize is a profound theoretical challenge. It remains unclear whether the fundamental drivers are economic or cultural in nature. Cultural evolutionary theory suggests that community-level characteristics, for example average education, can alter how low-fertility preferences are transmitted and adopted. These assumptions have not been empirically tested. Here, we show that community-level education accelerates fertility decline in a way that is neither predicted by individual characteristics, nor by the level of economic modernization in a population. In 22 high-fertility communities in Poland, fertility converged on a smaller family size as average education in the community increased-indeed community-level education had a larger impact on fertility decline than did individual education. This convergence was not driven by educational levels being more homogeneous, but by less educated women having fewer children than expected, and more highly educated social networks, when living among more highly educated neighbours. The average level of education in a community may influence the social partners women interact with, both within and beyond their immediate social environments, altering the reproductive norms they are exposed to. Given a critical mass of highly educated women, less educated neighbours may adopt their reproductive behaviour, accelerating the pace of demographic transition. Individual characteristics alone cannot capture these dynamics and studies relying solely on them may systematically underestimate the importance of cultural transmission in driving fertility declines. Our results are inconsistent with a purely individualistic, rational-actor model of fertility decline and suggest that optimization of reproduction is partly driven by cultural dynamics beyond the individual.

Community-level education accelerates the cultural evolution of fertility decline

PubMed Central

Colleran, Heidi; Jasienska, Grazyna; Nenko, Ilona; Galbarczyk, Andrzej; Mace, Ruth

2014-01-01

Explaining why fertility declines as populations modernize is a profound theoretical challenge. It remains unclear whether the fundamental drivers are economic or cultural in nature. Cultural evolutionary theory suggests that community-level characteristics, for example average education, can alter how low-fertility preferences are transmitted and adopted. These assumptions have not been empirically tested. Here, we show that community-level education accelerates fertility decline in a way that is neither predicted by individual characteristics, nor by the level of economic modernization in a population. In 22 high-fertility communities in Poland, fertility converged on a smaller family size as average education in the community increased—indeed community-level education had a larger impact on fertility decline than did individual education. This convergence was not driven by educational levels being more homogeneous, but by less educated women having fewer children than expected, and more highly educated social networks, when living among more highly educated neighbours. The average level of education in a community may influence the social partners women interact with, both within and beyond their immediate social environments, altering the reproductive norms they are exposed to. Given a critical mass of highly educated women, less educated neighbours may adopt their reproductive behaviour, accelerating the pace of demographic transition. Individual characteristics alone cannot capture these dynamics and studies relying solely on them may systematically underestimate the importance of cultural transmission in driving fertility declines. Our results are inconsistent with a purely individualistic, rational-actor model of fertility decline and suggest that optimization of reproduction is partly driven by cultural dynamics beyond the individual. PMID:24500166

Allostatic load: A theoretical model for understanding the relationship between maternal posttraumatic stress disorder and adverse birth outcomes.

PubMed

Li, Yang; Rosemberg, Marie-Anne Sanon; Seng, Julia S

2018-07-01

Adverse birth outcomes such as preterm birth and low birth weight are significant public health concerns and contribute to neonatal morbidity and mortality. Studies have increasingly been exploring the predictive effects of maternal posttraumatic stress disorder (PTSD) on adverse birth outcomes. However, the biological mechanisms by which maternal PTSD affects birth outcomes are not well understood. Allostatic load refers to the cumulative dysregulations of the multiple physiological systems as a response to multiple social-ecological levels of chronic stress. Allostatic load has been well documented in relation to both chronic stress and adverse health outcomes in non-pregnant populations. However, the mediating role of allostatic load is less understood when it comes to maternal PTSD and adverse birth outcomes. To propose a theoretical model that depicts how allostatic load could mediate the impact of maternal PTSD on birth outcomes. We followed the procedures for theory synthesis approach described by Walker and Avant (2011), including specifying focal concepts, identifying related factors and relationships, and constructing an integrated representation. We first present a theoretical overview of the allostatic load theory and the other 4 relevant theoretical models. Then we provide a brief narrative review of literature that empirically supports the propositions of the integrated model. Finally, we describe our theoretical model. The theoretical model synthesized has the potential to advance perinatal research by delineating multiple biomarkers to be used in future. After it is well validated, it could be utilized as the theoretical basis for health care professionals to identify high-risk women by evaluating their experiences of psychosocial and traumatic stress and to develop and evaluate service delivery and clinical interventions that might modify maternal perceptions or experiences of stress and eliminate their impacts on adverse birth outcomes. Copyright © 2018. Published by Elsevier Ltd.

Lifetime measurements using two-step laser excitation for high-lying even-parity levels and improved theoretical oscillator strengths in Y II

NASA Astrophysics Data System (ADS)

Palmeri, P.; Quinet, P.; Lundberg, H.; Engström, L.; Nilsson, H.; Hartman, H.

2017-10-01

We report new time-resolved laser-induced fluorescence lifetime measurements for 22 highly excited even-parity levels in singly ionized yttrium (Y II). To populate these levels belonging to the configurations 4d6s, 5s6s 4d5d, 5p2, 4d7s and 4d6d, a two-step laser excitation technique was used. Our previous pseudo-relativistic Hartree-Fock model (Biémont et al. 2011) was improved by extending the configuration interaction up to n = 10 to reproduce the new experimental lifetimes. A set of semi-empirical oscillator strengths extended to transitions falling in the spectral range λλ194-3995 nm, depopulating these 22 even-parity levels in Y II, is presented and compared to the values found in the Kurucz's data base (Kurucz 2011).

Microstructure formation on liquid metal surface under pulsed action

NASA Astrophysics Data System (ADS)

Genin, D. E.; Beloplotov, D. V.; Panchenko, A. N.; Tarasenko, V. F.

2018-04-01

Experimental study and theoretical analysis of growth of microstructures (microtowers) on liquid metals by fs laser pulses have been carried out. Theoretical analysis has been performed on the basis of the two-temperature model. Compared to ns laser pulses, in fs irradiation regimes the heat-affected zone is strongly localized resulting in much larger temperatures and temperature gradients. In the experimental irradiation regimes, the surface temperature of liquid metals studied may reach or even exceed a critical level that culminates in phase explosion or direct atomization of a metal surface layer. However, before explosive ablation starts, a stress wave with an amplitude up to several GPa is formed which demolishes oxide covering. Moreover, at high laser fluences laser-induced breakdown is developed in oxide layer covering the metal surface that leads to destruction/ablation of oxide without damaging metal underneath. An overall scenario of microstructure growth with fs laser pulses is similar to that obtained for ns irradiation regimes though the growth threshold is lower due to smaller heat-conduction losses. Also we managed to obtain microstructures formation by the action of spark discharge.

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

Ditzler, Gregory; Morrison, J. Calvin; Lan, Yemin

Background: Some of the current software tools for comparative metagenomics provide ecologists with the ability to investigate and explore bacterial communities using α– & β–diversity. Feature subset selection – a sub-field of machine learning – can also provide a unique insight into the differences between metagenomic or 16S phenotypes. In particular, feature subset selection methods can obtain the operational taxonomic units (OTUs), or functional features, that have a high-level of influence on the condition being studied. For example, in a previous study we have used information-theoretic feature selection to understand the differences between protein family abundances that best discriminate betweenmore » age groups in the human gut microbiome. Results: We have developed a new Python command line tool, which is compatible with the widely adopted BIOM format, for microbial ecologists that implements information-theoretic subset selection methods for biological data formats. We demonstrate the software tools capabilities on publicly available datasets. Conclusions: We have made the software implementation of Fizzy available to the public under the GNU GPL license. The standalone implementation can be found at http://github.com/EESI/Fizzy.« less

Fizzy: feature subset selection for metagenomics.

PubMed

Ditzler, Gregory; Morrison, J Calvin; Lan, Yemin; Rosen, Gail L

2015-11-04

Some of the current software tools for comparative metagenomics provide ecologists with the ability to investigate and explore bacterial communities using α- & β-diversity. Feature subset selection--a sub-field of machine learning--can also provide a unique insight into the differences between metagenomic or 16S phenotypes. In particular, feature subset selection methods can obtain the operational taxonomic units (OTUs), or functional features, that have a high-level of influence on the condition being studied. For example, in a previous study we have used information-theoretic feature selection to understand the differences between protein family abundances that best discriminate between age groups in the human gut microbiome. We have developed a new Python command line tool, which is compatible with the widely adopted BIOM format, for microbial ecologists that implements information-theoretic subset selection methods for biological data formats. We demonstrate the software tools capabilities on publicly available datasets. We have made the software implementation of Fizzy available to the public under the GNU GPL license. The standalone implementation can be found at http://github.com/EESI/Fizzy.

Fizzy. Feature subset selection for metagenomics

DOE PAGES

Ditzler, Gregory; Morrison, J. Calvin; Lan, Yemin; ...

2015-11-04

Background: Some of the current software tools for comparative metagenomics provide ecologists with the ability to investigate and explore bacterial communities using α– & β–diversity. Feature subset selection – a sub-field of machine learning – can also provide a unique insight into the differences between metagenomic or 16S phenotypes. In particular, feature subset selection methods can obtain the operational taxonomic units (OTUs), or functional features, that have a high-level of influence on the condition being studied. For example, in a previous study we have used information-theoretic feature selection to understand the differences between protein family abundances that best discriminate betweenmore » age groups in the human gut microbiome. Results: We have developed a new Python command line tool, which is compatible with the widely adopted BIOM format, for microbial ecologists that implements information-theoretic subset selection methods for biological data formats. We demonstrate the software tools capabilities on publicly available datasets. Conclusions: We have made the software implementation of Fizzy available to the public under the GNU GPL license. The standalone implementation can be found at http://github.com/EESI/Fizzy.« less

Vibrational spectroscopic study, structural analysis, photophysical properties and theoretical calculations of cis-(±)-2,4,5-tris(pyridin-2-yl)imidazoline

NASA Astrophysics Data System (ADS)

Baldenebro-López, Jesús; Báez-Castro, Alberto; Glossman-Mitnik, Daniel; Höpfl, Herbert; Cruz-Enríquez, Adriana; Miranda-Soto, Valentín; Parra-Hake, Miguel; Campos-Gaxiola, José J.

2017-02-01

cis-(±)-2,4,5-tris(pyridin-2-yl)imidazoline has been fully characterized by FT-IR, FT-Raman, UV-Vis and fluorescence spectroscopy, one- and two-dimensional NMR spectroscopy (1H, 1H-1H gCOSY, 1H-1H gNOESY,13C{1H} ATP, 1H-13C and 1H-15N gHSQC and 1H-13C gHMBC), high-resolution mass spectrometry (HR-FAB+), TG-DSC analysis and low-temperature single-crystal X-ray diffraction analysis. Additionally, the molecular geometry and the vibrational infrared and Raman frequencies were calculated by density functional theory using the M06/6-31G(d) level of theory, showing good agreement with the experimental results. The title compound showed interesting photophysical properties, which were studied experimentally in solution and in the solid state by UV-Vis and fluorescence spectroscopy and compared to the theoretically obtained parameters using TD-DFT calculations. Natural and Mulliken atomic charges and the molecular electrostatic potential (MEP) have been mapped.

Flash melting of tantalum in a diamond cell to 85 GPa

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

Karandikar, Amol; Boehler, Reinhard

2016-02-09

Here, we demonstrate a new level of precision in measuring melting temperatures at high pressure using laser flash-heating followed by Scanning Electron Microscopy and Focused Ion Beam Milling. Furthermore, the new measurements on tantalum put unprecedented constraints on its highly debated melting slope, calling for a reevaluation of theoretical, shock compression and diamond cell approaches to determine melting at high pressure. X-ray analysis of the recovered samples confirmed the absence of chemical reactions, which likely played a significant role in previous experiments.

Theoretical study of native point defects in strained-layer superlattice systems

NASA Astrophysics Data System (ADS)

Krishnamurthy, S.; Yu, Zhi Gang

2018-04-01

We developed a theoretical approach that employs first-principles Hamiltonians, tight-binding Hamiltonians, and Green's function techniques to obtain energy levels arising from native point defects (NPDs) in InAs-GaSb and InAs-InAs1-xSbx strained layer superlattice (SLS) systems. In InAs and GaSb regions, we considered four types of NPDs—anion vacancy, cation vacancy, anion anti-site, and cation anti-site—as well as isoelectronic substitution at anion sites (Sb at the As site and As at the Sb site). Additionally, we considered three types of defects—the cation at the second anion site, the second anion at the cation site, and second anion vacancy—in the InAs1-xSbx alloy region of the SLS. For a selected few designs, we studied NPDs both in the bulk region and near the interfaces of the SLS. We have considered 12 designs of InAs-GaSb systems and two designs of InAs-InAs0.7Sb0.3 systems lattice-matched to the GaSb substrate. The calculated defect levels not only agreed well with available measurements, but also revealed the connection between mid-gap levels and specific NPDs. We further calculated defect formation energies both in compounds and in all superlattices considered above. Since the absolute value of defect formation energy depends considerably on growth conditions, we evaluated the formation energies in SLS with respect to their value in the corresponding bulk or alloy. The calculated defect formation energies, together with defect energy level results, allow us to identify a few promising SLS designs for high-performing photodetectors.

Theoretical Studies on Structures and Relative Stability for Polynitrohexaazaadamantanes

NASA Astrophysics Data System (ADS)

Xu, Xiao-juan; Xiao, He-ming; Wang, Gui-xiang; Ju, Xue-hai

2006-10-01

The density function theory at the B3LYP/6-31G* level was employed to study the structures, including the total energies (EZPE), the geometries, the oxygen balances (OB100), the dipole moments, of polynitro-hexaazaadamantanes (PNHAAs) and the potential candidates of high energy density compounds (HEDCs). The structural parameters of PNHAAs, such as the the maximum N—NO2 bond length (LBmax), the least N—N Mulliken population (BN—N), the least negative charge on the nitro group (QNO2) and OB100, were studied to predict their relative stability or sensitivity (the easiness for initiating a detonation, high sensitivity means low stability). It was found that the same conclusion was drawn from the four parameters. With the number of nitro groups increasing, the stabilities of these compounds decrease. OB100 failed in identifying the isomers, but the EZPE energy and the dipole moment were considered to give more reliable results for the isomers.

Acorn Caching in Tree Squirrels: Teaching Hypothesis Testing in the Park

ERIC Educational Resources Information Center

McEuen, Amy B.; Steele, Michael A.

2012-01-01

We developed an exercise for a university-level ecology class that teaches hypothesis testing by examining acorn preferences and caching behavior of tree squirrels (Sciurus spp.). This exercise is easily modified to teach concepts of behavioral ecology for earlier grades, particularly high school, and provides students with a theoretical basis for…

On the development of the theory of the QBO. [Quasi-Biennial Oscillation

NASA Technical Reports Server (NTRS)

Lindzen, Richard S.

1987-01-01

The events that led to the discovery of the quasi-biennial oscillation (QBO) of the equatorial stratosphere are described together with the development of current QBO theory. Three independent areas of inquiry led to this theory: (1) the observational and theoretical studies of equatorial waves, (2) the theoretical study of the behavior of mountain waves at critical levels where the mean flow speed went to zero, and (3) the semiempirical study of the momentum budget of the QBO. The efforts in each of these three areas are discussed.

Effect of third-order aberrations on dynamic accommodation.

PubMed

López-Gil, Norberto; Rucker, Frances J; Stark, Lawrence R; Badar, Mustanser; Borgovan, Theodore; Burke, Sean; Kruger, Philip B

2007-03-01

We investigate the potential for the third-order aberrations coma and trefoil to provide a signed cue to accommodation. It is first demonstrated theoretically (with some assumptions) that the point spread function is insensitive to the sign of spherical defocus in the presence of odd-order aberrations. In an experimental investigation, the accommodation response to a sinusoidal change in vergence (1-3D, 0.2Hz) of a monochromatic stimulus was obtained with a dynamic infrared optometer. Measurements were obtained in 10 young visually normal individuals with and without custom contact lenses that induced low and high values of r.m.s. trefoil (0.25, 1.03 microm) and coma (0.34, 0.94 microm). Despite variation between subjects, we did not find any statistically significant increase or decrease in the accommodative gain for low levels of trefoil and coma, although effects approached or reached significance for the high levels of trefoil and coma. Theoretical and experimental results indicate that the presence of Zernike third-order aberrations on the eye does not seem to play a crucial role in the dynamics of the accommodation response.

Tautomerism and thermal decomposition of tetrazole: high-level ab initio study.

PubMed

Kiselev, Vitaly G; Cheblakov, Pavel B; Gritsan, Nina P

2011-03-10

The mutual interconversion and decomposition reactions of four tetrazole isomers (1H-TZ, 2H-TZ, 5H-TZ, and an N-heterocyclic carbene 14H) have been studied theoretically using the W1 high-level procedure. Computations allowed resolution of the existing discrepancies in the mechanism and key intermediates of TZ thermolysis. The tautomeric equilibria between 1H-TZ, 2H-TZ, and 14H turned out to play a very important role in the mechanism of thermal decomposition. Although the barriers of monomolecular tautomeric transformations were found to be high (∼50-70 kcal/mol), the concerted double H atom transfer reactions in the H-bonded complexes of TZ tautomers have profoundly lower barriers (∼18-28 kcal/mol). These reactions lead to fast interconversion between 1H-TZ, 2H-TZ, and 14H. The carbene 14H has never been considered before; however, it was predicted to be a key intermediate in the mechanism of thermal decomposition of TZ. For all species considered, the unimolecular reactions of N(2) elimination were predicted to dominate over the elimination of hydrazoic acid. In agreement with existing experimental data, the effective activation energy of thermolysis was calculated to be 36.2 kcal/mol.

Fluorescent Fe K Emission from High Density Accretion Disks

NASA Astrophysics Data System (ADS)

Bautista, Manuel; Mendoza, Claudio; Garcia, Javier; Kallman, Timothy R.; Palmeri, Patrick; Deprince, Jerome; Quinet, Pascal

2018-06-01

Iron K-shell lines emitted by gas closely orbiting black holes are observed to be grossly broadened and skewed by Doppler effects and gravitational redshift. Accordingly, models for line profiles are widely used to measure the spin (i.e., the angular momentum) of astrophysical black holes. The accuracy of these spin estimates is called into question because fitting the data requires very high iron abundances, several times the solar value. Meanwhile, no plausible physical explanation has been proffered for why these black hole systems should be so iron rich. The most likely explanation for the super-solar iron abundances is a deficiency in the models, and the leading candidate cause is that current models are inapplicable at densities above 1018 cm-3. We study the effects of high densities on the atomic parameters and on the spectral models for iron ions. At high densities, Debye plasma can affect the effective atomic potential of the ions, leading to observable changes in energy levels and atomic rates with respect to the low density case. High densities also have the effec of lowering energy the atomic continuum and reducing the recombination rate coefficients. On the spectral modeling side, high densities drive level populations toward a Boltzman distribution and very large numbers of excited atomic levels, typically accounted for in theoretical spectral models, may contribute to the K-shell spectrum.

Attachment and prejudice.

PubMed

Carnelley, Katherine B; Boag, Elle M

2018-04-16

There is a paucity of research that examines prejudice from an attachment theory perspective. Herein we make theoretical links between attachment patterns and levels of prejudice. Perceptions of outgroup threat, which activate the attachment system, are thought to lead to fear and prejudice for those high in attachment anxiety, and to distancing and prejudice for those high in attachment avoidance. We review the literature that examines the associations between attachment patterns and prejudice; evidence from attachment priming studies suggests a causal role of attachment security in reducing prejudice. We identify several mediators of these links: empathy, negative emotions, trust, social dominance orientation, romanticism, and contact quality. Future research should manipulate potential mediators and use psychophysiological assessments of threat. Copyright © 2018 Elsevier Ltd. All rights reserved.

Theoretical studies of possible toroidal high-spin isomers in the light-mass region

DOE PAGES

Staszczak, A.; Wong, Cheuk-Yin

2016-05-11

We review our theoretical knowledge of possible toroidal high-spin isomers in the light mass region in 28≤A≤52 obtained previously in cranked Skyrme-Hartree-Fock calculations. We report additional toroidal high-spin isomers in 56Ni with I=114ℏ and 140ℏ, which follow the same (multi-particle) (multi-hole) systematics as other toroidal high-spin isomers. We examine the production of these exotic nuclei by fusion of various projectiles on 20Ne or 28Si as an active target in time-projection-chamber (TPC) experiments.

[ital n]=5 to [ital n]=5 soft-x-ray emission of uranium in a high-temperature low-density tokamak plasma

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

Fournier, K.B.; Finkenthal, M.; Lippmann, S.

1994-11-01

The soft-x-ray uranium emission in the 60--200-A range recorded from a high-temperature ([similar to]1 keV) low-density ([similar to]10[sup 13] cm[sup [minus]3]) tokamak plasma has been analyzed by comparison with theoretical level structure and line-intensity calculations. In an extension of previous work [Finkenthal [ital et] [ital al]., Phys. Rev. A 45, 5846 (1992)], theoretical U XXV, U XXX, U XXXI, and U XXXII [ital n]=5 to [ital n]=5 spectra have been computed for the relevant plasma parameters. Fully relativistic parametric potential computer codes have been used for the [ital ab] [ital initio] atomic-structure calculations, and electron-impact excitation rates have been computedmore » in the distorted-wave approximation. 5[ital s]-5[ital p] spectral lines and quasicontinua of U XXX, U XXXI, and U XXXII are identified in the 165--200-A wavelength band. An unambiguous line identification is hampered by theoretical uncertainties and the blending of emission from adjacent charge states.« less

Coherent Extreme Ultraviolet Generation and Surface Studies Using Ultraviolet Excimer Lasers.

DTIC Science & Technology

1986-02-10

of Outer-Shell Electrons" 7. "A Theoretical Model of Inner-Shell ......................... 30 A Excitation by Outer-Snell Electrons" E. "Anomalous...rays are feasible. Our work involves a program of activities, involving both experimental and theoretical components, to explore the physical... theoretical effort con- centrating on the character of high order multiquantum coupling in the inten- sity regime above 1017 WcM2 . In addition

High-intensity sound in air saturated fibrous bulk porous materials

NASA Technical Reports Server (NTRS)

Kuntz, H. L., II

1982-01-01

The interaction high-intensity sound with bulk porous materials in porous materials including Kevlar 29 is reported. The nonlinear behavior of the materials was described by dc flow resistivity tests. Then acoustic propagation and reflection were measured and small signal broadband measurements of phase speed and attenuation were carried out. High-intensity tests were made with 1, 2, and 3 kHz tone bursts to measure harmonic generation and extra attenuation of the fundamental. Small signal standing wave tests measured impedence between 0.1 and 3.5 kHz. High level tests with single cycle tone bursts at 1 to 4 kHz show that impedance increases with intensity. A theoretical analysis is presented for high-porosity, rigid-frame, isothermal materials. One dimensional equations of motion are derived and solved by perturbation. The experiments show that there is excess attenuation of the fundamental component and in some cases a close approach to saturation. A separate theoretical model, developed to explain the excess attenuation, yields predictions that are in good agreement with the measurements. Impedance and attenuation at high intensities are modeled.

Patient-, organization-, and system-level barriers and facilitators to preventive oral health care: a convergent mixed-methods study in primary dental care.

PubMed

Templeton, Anna Rose; Young, Linda; Bish, Alison; Gnich, Wendy; Cassie, Heather; Treweek, Shaun; Bonetti, Debbie; Stirling, Douglas; Macpherson, Lorna; McCann, Sharon; Clarkson, Jan; Ramsay, Craig

2016-01-12

Dental caries is the most common chronic disease of adult and childhood, a largely preventable yet widespread, costly public health problem. This study identified patient-, organization-, and system-level factors influencing routine delivery of recommended care for prevention and management of caries in primary dental care. A convergent mixed-methods design assessed six guidance-recommended behaviours to prevent and manage caries (recording risk, risk-based recall intervals, applying fluoride varnish, placing preventive fissure sealants, demonstrating oral health maintenance, taking dental x-rays). A diagnostic questionnaire assessing current practice, beliefs, and practice characteristics was sent to a random sample of 651 dentists in National Health Service (NHS) Scotland. Eight in-depth case studies comprising observation of routine dental visits and dental team member interviews were conducted. Patient feedback was collected from adult patients with recent checkups at case study practices. Key informant interviews were conducted with decision makers in policy, funding, education, and regulation. The Theoretical Domains Framework within the Behaviour Change Wheel was used to identify and describe patient-, organization-, and system-level barriers and facilitators to care. Findings were merged into a matrix describing theoretical domains salient to each behaviour. The matrix and Behaviour Change Wheel were used to prioritize behaviours for change and plan relevant intervention strategies. Theoretical domains associated with best practice were identified from the questionnaire (N-196), case studies (N = 8 practices, 29 interviews), and patient feedback (N = 19). Using the study matrix, key stakeholders identified priority behaviours (use of preventive fissure sealants among 6-12-year-olds) and strategies (audit and feedback, patient informational campaign) to improve guidance implementation. Proposed strategies were assessed as appropriate for immediate implementation and suitable for development with remaining behaviours. Specific, theoretically based, testable interventions to improve caries prevention and management were coproduced by patient-, practice-, and policy-level stakeholders. Findings emphasize duality of behavioural determinants as barriers and facilitators, patient influence on preventive care delivery, and benefits of integrating multi-level interests when planning interventions in a dynamic, resource-constrained environment. Interventions identified in this study are actively being used to support ongoing implementation initiatives including guidance, professional development, and oral health promotion.

Nonlinear optical transmittance of semiconductors in the presence of high-intensity radiation fields

NASA Astrophysics Data System (ADS)

Dong, H. M.; Han, F. W.; Duan, Y. F.; Huang, F.; Liu, J. L.

2018-04-01

We developed a systematic theoretical study of nonlinear optical properties of semiconductors. The eight-band kṡp model and the energy-balance equation are employed to calculate the transmission and optical absorption coefficients in the presence of both the linear one-photon absorption and the nonlinear two-photon absorption (TPA) processes. A substantial reduction of the optical transmittance far below the band-gap can be observed under relatively high-intensity radiation fields due to the nonlinear TPA. The TPA-induced optical transmittance decreases with increasing intensity of the radiation fields. Our theoretical results are in line with those observed experimentally. The theoretical approach can be applied to understand the nonlinear optical properties of semiconductors under high-field conditions.

Evolutionary Determinants of Genetic Variation in Susceptibility to Infectious Diseases in Humans

PubMed Central

Baker, Christi; Antonovics, Janis

2012-01-01

Although genetic variation among humans in their susceptibility to infectious diseases has long been appreciated, little focus has been devoted to identifying patterns in levels of variation in susceptibility to different diseases. Levels of genetic variation in susceptibility associated with 40 human infectious diseases were assessed by a survey of studies on both pedigree-based quantitative variation, as well as studies on different classes of marker alleles. These estimates were correlated with pathogen traits, epidemiological characteristics, and effectiveness of the human immune response. The strongest predictors of levels of genetic variation in susceptibility were disease characteristics negatively associated with immune effectiveness. High levels of genetic variation were associated with diseases with long infectious periods and for which vaccine development attempts have been unsuccessful. These findings are consistent with predictions based on theoretical models incorporating fitness costs associated with the different types of resistance mechanisms. An appreciation of these observed patterns will be a valuable tool in directing future research given that genetic variation in disease susceptibility has large implications for vaccine development and epidemiology. PMID:22242158

Theoretical and Experimental Studies of Epidermal Heat Flux Sensors for Measurements of Core Body Temperature

PubMed Central

Zhang, Yihui; Webb, Richard Chad; Luo, Hongying; Xue, Yeguang; Kurniawan, Jonas; Cho, Nam Heon; Krishnan, Siddharth; Li, Yuhang; Huang, Yonggang

2016-01-01

Long-term, continuous measurement of core body temperature is of high interest, due to the widespread use of this parameter as a key biomedical signal for clinical judgment and patient management. Traditional approaches rely on devices or instruments in rigid and planar forms, not readily amenable to intimate or conformable integration with soft, curvilinear, time-dynamic, surfaces of the skin. Here, materials and mechanics designs for differential temperature sensors are presented which can attach softly and reversibly onto the skin surface, and also sustain high levels of deformation (e.g., bending, twisting, and stretching). A theoretical approach, together with a modeling algorithm, yields core body temperature from multiple differential measurements from temperature sensors separated by different effective distances from the skin. The sensitivity, accuracy, and response time are analyzed by finite element analyses (FEA) to provide guidelines for relationships between sensor design and performance. Four sets of experiments on multiple devices with different dimensions and under different convection conditions illustrate the key features of the technology and the analysis approach. Finally, results indicate that thermally insulating materials with cellular structures offer advantages in reducing the response time and increasing the accuracy, while improving the mechanics and breathability. PMID:25953120

Short Range Photoassociation of Rb2 by a high power fiber laser

NASA Astrophysics Data System (ADS)

Passagem, Henry; Rodriguez, Ricardo; Ventura, Paulo; Bouloufa, Nadia; Dulieu, Olivier; Marcassa, Luis

2016-05-01

Photoassociation has been studied using cold trapped atomic samples for the last 20 years. Due to poor Franck-Condon overlap, a free-to-bound transition followed by spontaneous decay results in a small production of electronic ground state molecules. If the photoassociation is done at short range, deeply bound ground state molecules can be formed. Optical pumping schemes can be used to populate a single state. In our experiment, we have performed trap loss spectroscopy on trapped 85 Rb atoms in a MOT using a high power fiber laser. Our single mode fiber laser (linewidth < 1 MHz) produces about 50 W, which can be tuned in the 1060-1070 nm range. Two vibrational bound states of the 0u+ potential were observed (ν = 137 and 138). The frequency positions as well as the rotational constants of these states are in good agreement with theoretical predictions. We have also measured the lifetime of a crossed optical dipole trap using such fiber laser. The lifetime on resonance is shorter than off resonance as expected. A simple theoretical model indicates that the molecules decay to deeply bound vibrational levels in the ground state. This work was supported by Fapesp and INCT-IQ.

The real you? The role of visual cues and comment congruence in perceptions of social attractiveness from facebook profiles.

PubMed

Hong, Seoyeon; Tandoc, Edson; Kim, Eunjin Anna; Kim, Bokyung; Wise, Kevin

2012-07-01

The purpose of this study was to examine the effects of social cues in self-presentations and the congruence of other-generated comments with the self-presentation in people's evaluations of a profile owner. A 2 (level of social cues: high vs. low) × 2 (congruent vs. incongruent) × 2 (order) × 2 (multiple messages) mixed-subject experiment was conducted with 104 college students. The results showed that a profile owner was perceived less socially attractive when other-generated comments were incongruent with the profile owner's self-presentation. No matter how people package themselves with extravagant self-presentations, it cannot be very successful without validation from others. Interestingly, an interaction effect between congruence and the level of social cues suggested that perceived popularity was low in the incongruent condition regardless of level of social cue. Theoretical and practical implications were also discussed.

Students' Satisfaction with an Undergraduate Primary Education Teaching Practicum Design on Developing Technological, Pedagogical and Mathematical Knowledge

NASA Astrophysics Data System (ADS)

Doukakis, Spyros; Koilias, Christos; Chionidou-Moskofoglou, Maria

During the 2008-2009 spring semester, 25 fourth-year undergraduate primary teachers attended the compulsory course "Teaching Mathematics-Practicum Phase". The course was organised so as to incorporate ICT and special mathematical scenarios in the teaching approaches of undergraduate primary teachers. This article presents course satisfaction of participants as found in the research study. A set of powerful ordinal regression methods has been applied on a survey database. The most important results focus on the determination of the course's weak and strong points, according to the MUSA methodology. The results show a high satisfaction level from the course. The global satisfaction level reaches 98% whereas partial (per criterion) satisfaction levels range from 90% to 97%, the lowest rate corresponding to the theoretical component of the course. The findings raise a number of research questions regarding ICT integration in undergraduate primary teachers' teaching practice.

Effects of magnetic-storm phases on F-layer irregularities from auroral to equatorial latitudes. Quarterly report, 1 Jan-31 Mar 92

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

Aarons, J.; Mendillo, M.

Determining the morphology of F layer irregularities as a function of longitude in the equatorial region is vital for understanding the physics of the development of these irregularities. We aim to lay the observational basis which then can be used to test theoretical models. Theoretical models have been developed, notably the papers by R.T. Tsunoda (Rev. Geophys. 26, 719, 1988) and by T. Maruyama and N. Matuura (J. Geophys. Res. 89, 10903, 1984). The question is whether the models are consistent with the morphology as we see it. According to our criteria, the data used should be confined to observationsmore » taken near the magnetic equator during quiet magnetic periods and at times within a few hours after sunset. Anomaly region data should be omitted for studying the generation mechanism. The questions to be answered by proposed mechanisms are: (1) why do the equinox months have high levels of occurrence over all longitudes; (2) why are there relatively high levels of occurrence in the Central Pacific Sector in the July-August period and in the 0-75 deg West Sector in the November-December period; and (3) why are there very low levels of occurrence in November and December in the Central Pacific Sector and in July and August in the 0-75 deg West Sector. Satellite in-situ data, scintillation and spread F observations will be reviewed. The limitation of each data set will be outlined particularly as relevant to the bias produced by the existence of thin versus extended layers of irregularities. A cartoon as to the occurrence pattern, as we see it, as a function of longitude will be shown.« less

Memorizing: a test of untrained mildly mentally retarded children's problem-solving.

PubMed

Belmont, J M; Ferretti, R P; Mitchell, D W

1982-09-01

Forty untrained mildly mentally retarded and 32 untrained nonretarded junior high school students were given eight trails of practice on a self-paced memory problem with lists of letters or words. For each trail a new list was presented, requiring ordered recall of terminal list items followed by ordered recall of initial items. Subgroups of solvers and nonsolvers were identified at each IQ level by a criterion of strict recall accuracy. Direct measures of mnemonic activity showed that over trails, solvers at both IQ levels increasingly fit a theoretically ideal memorization method. At neither IQ level did nonsolvers show similar inventions. On early trials, for both IQ levels, fit to the ideal method was uncorrelated with recall accuracy. On late trials fit and recall were highly correlated at each IQ level and across levels. The results support a problem-solving theory of individual differences in retarded and nonretarded children's memory performances.

The effects of skin tone, height, and gender on earnings

PubMed Central

2018-01-01

Using a theoretical approach grounded in implicit bias and stereotyping theories, this study examines the relationship between observable physical characteristics (skin tone, height, and gender) and earnings, as measured by income. Combining separate streams of research on the influence of these three characteristics, we draw from a sample of 31,356 individual-year observations across 4,340 individuals from the National Longitudinal Study of Youth (NLSY) 1997. We find that skin tone, height, and gender interact such that taller males with darker skin tone attain lower earnings; those educated beyond high school, endowed with higher cognitive ability, and at the higher income level (>75th percentile) had even lower levels of earnings relative to individuals with lighter skin tone. The findings have implications for implicit bias theories, stereotyping, and the human capital literature within the fields of management, applied psychology, and economics. PMID:29293634

Facilitators & Barriers to the Adoption of Ergonomic Solutions in Construction

PubMed Central

Dale, Ann Marie; Jaegers, Lisa; Welch, Laura; Barnidge, Ellen; Weaver, Nancy; Evanoff, Bradley A.

2017-01-01

Background Rates of musculoskeletal disorders in construction remain high. Few studies have described barriers and facilitators to the use of available ergonomic solutions. This paper describes these barriers and facilitators and their relationship to the level of adoption. Methods Three analysts rated 16 proposed ergonomic solutions from a participatory ergonomics study and assessed the level of adoption, six adoption characteristics, and identified the category of adoption from a theoretical model. Results Twelve solutions were always or intermittently used and were rated positively for characteristics of relative advantage, compatibility with existing work processes, and trialability. Locus of control (worker vs. contractor) was not related to adoption. Simple solutions faced fewer barriers to adoption than those rated as complex. Conclusions Specific adoption characteristics can help predict the use of new ergonomic solutions in construction. Adoption of complex solutions must involve multiple stakeholders, more time, and shifts in culture or work systems. PMID:28195660

[Theoretical model study about the application risk of high risk medical equipment].

PubMed

Shang, Changhao; Yang, Fenghui

2014-11-01

Research for establishing a risk monitoring theoretical model of high risk medical equipment at applying site. Regard the applying site as a system which contains some sub-systems. Every sub-system consists of some risk estimating indicators. After quantizing of each indicator, the quantized values are multiplied with corresponding weight and then the products are accumulated. Hence, the risk estimating value of each subsystem is attained. Follow the calculating method, the risk estimating values of each sub-system are multiplied with corresponding weights and then the product is accumulated. The cumulative sum is the status indicator of the high risk medical equipment at applying site. The status indicator reflects the applying risk of the medical equipment at applying site. Establish a risk monitoring theoretical model of high risk medical equipment at applying site. The model can monitor the applying risk of high risk medical equipment at applying site dynamically and specially.

Preface: Special Topic: From Quantum Mechanics to Force Fields.

PubMed

Piquemal, Jean-Philip; Jordan, Kenneth D

2017-10-28

This Special Topic issue entitled "From Quantum Mechanics to Force Fields" is dedicated to the ongoing efforts of the theoretical chemistry community to develop a new generation of accurate force fields based on data from high-level electronic structure calculations and to develop faster electronic structure methods for testing and designing force fields as well as for carrying out simulations. This issue includes a collection of 35 original research articles that illustrate recent theoretical advances in the field. It provides a timely snapshot of recent developments in the generation of approaches to enable more accurate molecular simulations of processes important in chemistry, physics, biophysics, and materials science.

Preface: Special Topic: From Quantum Mechanics to Force Fields

NASA Astrophysics Data System (ADS)

Piquemal, Jean-Philip; Jordan, Kenneth D.

2017-10-01

This Special Topic issue entitled "From Quantum Mechanics to Force Fields" is dedicated to the ongoing efforts of the theoretical chemistry community to develop a new generation of accurate force fields based on data from high-level electronic structure calculations and to develop faster electronic structure methods for testing and designing force fields as well as for carrying out simulations. This issue includes a collection of 35 original research articles that illustrate recent theoretical advances in the field. It provides a timely snapshot of recent developments in the generation of approaches to enable more accurate molecular simulations of processes important in chemistry, physics, biophysics, and materials science.

Broadband linearisation of high-efficiency power amplifiers

NASA Technical Reports Server (NTRS)

Kenington, Peter B.; Parsons, Kieran J.; Bennett, David W.

1993-01-01

A feedforward-based amplifier linearization technique is presented which is capable of yielding significant improvements in both linearity and power efficiency over conventional amplifier classes (e.g. class-A or class-AB). Theoretical and practical results are presented showing that class-C stages may be used for both the main and error amplifiers yielding practical efficiencies well in excess of 30 percent, with theoretical efficiencies of much greater than 40 percent being possible. The levels of linearity which may be achieved are required for most satellite systems, however if greater linearity is required, the technique may be used in addition to conventional pre-distortion techniques.

The Meaning of Working among Professional Employees in Germany, Poland and Russia

ERIC Educational Resources Information Center

Kuchinke, K. Peter; Ardichvili, Alexandre; Borchert, Margret; Rozanski, Andrzej

2009-01-01

Purpose: The purpose of this paper is to report the results of an empirical study of the meaning of working, individual level work outcomes, and job and career satisfaction, among professional level employees in business organizations in Russia, Poland, and Germany. Design/methodology/approach: The theoretical framework for the study was based on…

Hope, social support, and depression among Hong Kong youth: personal and relational self-esteem as mediators.

PubMed

Du, Hongfei; King, Ronnel B; Chu, Samuel K W

2016-12-01

Previous studies have shown that depression is negatively associated with hope and social support. However, little research has been undertaken to investigate the theoretical mechanisms underlying the connections among hope, social support, and depression. This study examined how two types of self-esteem (personal and relational) would mediate the relationship of hope and social support to depression among 384 Hong Kong adolescents (age: 12-18 years; M = 14, SD = 1.19). Participants reported their levels of hope, social support, personal self-esteem, relational self-esteem, and depressive mood. Results of the path analysis showed that both personal and relational self-esteem mediated the associations of hope and social support with depression. Hope and social support were associated with higher levels of personal and relational self-esteem, which were in turn related to decreased levels of depression. Theoretical and practical implications are discussed.

A study of the noise radiation from four helicopter rotor blades. [tests in Ames 40 by 20 foot wind tunnel

NASA Technical Reports Server (NTRS)

Lee, A.; Mosher, M.

1978-01-01

Acoustic measurements were taken of a modern helicopter rotor with four blade tip shapes in the NASA Ames 40-by-80-Foot Wind Tunnel. The four tip shapes are: rectangular, swept, trapezoidal, and swept tapered in platform. Acoustic effects due to tip shape changes were studied based on the dBA level, peak noise pressure, and subjective rating. The swept tapered blade was found to be the quietest above an advancing tip Mach number of about 0.9, and the swept blade was the quietest at low speed. The measured high speed impulsive noise was compared with theoretical predictions based on thickness effects; good agreement was found.

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

Zou, Ling; Zhao, Haihua; Kim, Seung Jun

In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

The Construction of Mathematical Literacy Problems for Geometry

NASA Astrophysics Data System (ADS)

Malasari, P. N.; Herman, T.; Jupri, A.

2017-09-01

The students of junior high school should have mathematical literacy ability to formulate, apply, and interpret mathematics in problem solving of daily life. Teaching these students are not enough by giving them ordinary mathematics problems. Teaching activities for these students brings consequence for teacher to construct mathematical literacy problems. Therefore, the aim of this study is to construct mathematical literacy problems to assess mathematical literacy ability. The steps of this study that consists of analysing, designing, theoretical validation, revising, limited testing to students, and evaluating. The data was collected with written test to 38 students of grade IX at one of state junior high school. Mathematical literacy problems consist of three essays with three indicators and three levels at polyhedron subject. The Indicators are formulating and employing mathematics. The results show that: (1) mathematical literacy problems which are constructed have been valid and practical, (2) mathematical literacy problems have good distinguishing characteristics and adequate distinguishing characteristics, (3) difficulty levels of problems are easy and moderate. The final conclusion is mathematical literacy problems which are constructed can be used to assess mathematical literacy ability.

Leadership emergence over time in short-lived groups: Integrating expectations states theory with temporal person-perception and self-serving bias.

PubMed

Kalish, Yuval; Luria, Gil

2016-10-01

Research into leadership emergence typically focuses on the attributes of the emergent leader. By considering also the attributes of perceivers and the passage of time, we develop a more complete theory of leadership emergence in short-lived groups. Using expectation states theory as an overarching theoretical framework, and integrating it with the surface- and deep-level diversity literature and with theories of self-serving biases, we examine the predictors of leadership emergence in short timeframes. We conduct a field study in a military assessment boot camp (a pilot study, n = 60; and a main study, n = 89). We use cross-sectional and longitudinal exponential random graph models to analyze data on participants' abilities and on their perceptions of who, in their respective groups, were "leaders." We find that the criteria by which people perceive leadership in others change over time, from easily noticeable attributes to covert leadership-relevant attributes, and that people also rely on leadership-relevant attributes that they possess at high levels to inform their perceptions of leadership in others. The integration of expectation states theory, attribute salience over time and theories of self-serving bias is needed for a full understanding of leadership emergence in groups, because perceivers' own abilities are instrumental in shaping their perceptions of emergent leadership over time. Theoretical and practical implications are discussed. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

The OH-initiated atmospheric oxidation of cyclopentene: A coupled-cluster study of the potential energy surface

NASA Astrophysics Data System (ADS)

Zhang, Weichao; Du, Benni

2013-07-01

We performed the first theoretical potential energy surface investigation on the mechanism and products of the reaction of OH+ cyclopentene in the absence and presence of O2 by using high-level quantum chemical methods CCSD(T)/6-311++G(d,p)//BH&HLYP/6-311++G(d,p)+ZPE × 0.9335. Energies for several species are also refined at the CCSD(T)/cc-pVTZ levels of theory. The calculations indicate that the major products are cyclopentanone, 1-cyclopenten-1-ol, and 2-cyclopenten-1-ol in the absence of O2, which are in qualitative accordance with the available experimental observations. In the presence of O2, the dominant products are predicted to be glutaraldehyde and 1,2-epoxycyclopentanol.

On the Ground Electronic States of TiF and TiCl

PubMed

Boldyrev; Simons

1998-04-01

The low-lying electronic states of TiF and TiCl have been studied using high level ab initio techniques. Both are found to have two low-lying excited electronic states, 4Sigma- (0.080 eV (TiF) and 0.236 eV (TiCl)) and 2Delta (0.266 eV (TiF) and 0.348 eV (TiCl)), and 4Phi ground states at the highest CCSD(T)/6-311++G(2d,2f) level of theory. Our theoretical predictions of 4Phi ground electronic states for TiF and TiCl support recent experimental findings by Ram and Bernath, and our calculated bond lengths and vibrational frequencies are in reasonable agreement with their experimental data. Copyright 1998 Academic Press.

On the density and field sensitivities of dielectronic recombination. [rates in coronal plasmas of late stars and sun

NASA Technical Reports Server (NTRS)

Reisenfeld, Daniel B.; Raymond, John C.; Young, Albert R.; Kohl, John L.

1992-01-01

Dielectronic recombination dominates the recombination rates of most ions in coronal plasmas at their temperatures of peak concentration. Because dielectronic recombination goes by way of high nl doubly excited levels, it is susceptible to collisional excitation and ionization, leading to a decreased rate. On the other hand, theoretical studies show that Stark mixing of the nl levels by a modest electric field enhances the dielectronic recombination rate severalfold. The ionization balance is computed here as as function of density, and it is found that the new results require increased emission measures to match the C IV emission line intensities observed in the sun and in late-type stars. They also make it more difficult to interpret the overall EUV emission line spectrum of the sun.

Suicidal action, emotional expression, and the performance of masculinities.

PubMed

Cleary, Anne

2012-02-01

Male rates of suicide are significantly higher than female rates in Ireland and other Western countries, yet the process and detail of men's suicidal action is relatively unknown. This is partly due to prevailing theoretical and methodological approaches. In this area of study, macro-level, quantitative approaches predominate; and theoretical frameworks tend to adopt unitary notions of men, as well as binary, oppositional, concepts of masculinity and femininity. This inquiry, based on in-depth interviews with 52 young Irish men who made a suicide attempt, examines suicidal behaviour at the individual level. The findings demonstrate that these men experienced high levels of emotional pain but had problems identifying symptoms and disclosing distress and this, along with the coping mechanisms used, was linked to a form of masculinity prevalent in their social environment. Dominant or hegemonic masculinity norms discouraged disclosure of emotional vulnerability, and participants used alcohol and drugs to cope - which exacerbated and prolonged their distress. Over time this led to a situation where they felt their options had narrowed, and suicidal action represented a way out of their difficulties. These men experienced significant, long-lasting, emotional pain but, in the context of lives lived in environments where prevailing constructions of masculinity constrained its expression, they opted for suicide rather than disclose distress and seek help. Underpinning this study is a presumption that binary notions of male and female emotions lack substance, but that the expression of emotions is gender-specific and constrained in some social localities. Copyright © 2011 Elsevier Ltd. All rights reserved.

A comparative study of highly-ionized Al plasma based on dual pulse laser-induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Khalil, A. A. I.; Younis, W. O.; Gandol, M. A.

2017-03-01

We built a collinear dual-pulse laser-induced breakdown spectroscopy (DP-LIBS) system to study the aluminum (Al) plasma emission by installing a pair of Nd: YAG lasers operating at 266 and 1064 nm. The spectral intensities of selected aluminum doubly-ionized lines were employed to evaluate the optical emission spectra. The influences of the energy ratio of two pulsed lasers on the LIBS intensity for different Al doubly-ionized spectral lines were investigated. The de-excitation rate parameters of the excited ion and the electron impact excitation were computed using the analytical formulas proposed by Smeets and Vriens. The transition probabilities and energy states were computed using Hibbert's configuration interaction, computer package (CIV3). By solving the coupled rate equations including 1 s 22 s 22 p 6n s (2S), 1 s 22 s 22 p 6n p (2P), 1 s 22 s 22 p 6n d (2D) (n = 3-5) and 1 s 22 s 22 p 6n f (2F) (n = 4, 5) states, the level population densities were computed. We also proposed a theoretical population model in order to investigate the effectiveness of the various processes that might affect the population of the upper levels in Al plasma by using the rate coefficients. In addition, the population densities for the 19 upper levels were also computed. Good compatibility between the experimental and the theoretical model data had been observed. Our results might be significant as reference data for the optimization of the DP-LIBS spectrometry and diagnostics of laser produced plasmas.

Relationships Between Marijuana Dependence and Condom Use Intentions and Behavior Among Justice-Involved Adolescents

PubMed Central

Caldwell Hooper, Ann E.; Thayer, Rachel E.; Magnan, Renee E.; Bryan, Angela D.

2013-01-01

The current study examined the relationships among marijuana dependence, a theoretical model of condom use intentions, and subsequent condom use behavior in justice-involved adolescents. Participants completed baseline measures of prior sexual and substance use behavior. Of the original 720 participants, 649 (90.13 %) completed follow-up measures 6 months later. There were high levels of marijuana use (58.7 % met criteria for dependence) and risky sexual behavior among participants. Baseline model constructs were associated with condom use intentions, and intentions were a significant predictor of condom use at follow-up. Marijuana dependence did not significantly influence the relationships between model constructs, nor did it moderate the relationship of model constructs with subsequent condom use. Findings suggest that the theoretical model of condom use intentions is equally valid regardless of marijuana dependence status, suggesting that interventions to reduce sexual risk behavior among both marijuana dependent and non-dependent justice-involved adolescents can be appropriately based on the model. PMID:23370834

Gas-liquid interface of room-temperature ionic liquids.

PubMed

Santos, Cherry S; Baldelli, Steven

2010-06-01

The organization of ions at the interface of ionic liquids and the vacuum is an ideal system to test new ideas and concepts on the interfacial chemistry of electrolyte systems in the limit of no solvent medium. Whilst electrolyte systems have numerous theoretical and experimental methods used to investigate their properties, the ionic liquids are relatively new and our understanding of the interfacial properties is just beginning to be explored. In this critical review, the gas-liquid interface is reviewed, as this interface does not depend on the preparation of another medium and thus produces a natural interface. The interface has been investigated by sum frequency generation vibrational spectroscopy and ultra-high vacuum techniques. The results provide a detailed molecular-level view of the surface composition and structure. These have been complemented by theoretical studies. The combinations of treatments on this interface are starting to provide a somewhat convergent description of how the ions are organized at this neat interface (108 references).

Initiating and utilizing shared leadership in teams: The role of leader humility, team proactive personality, and team performance capability.

PubMed

Chiu, Chia-Yen Chad; Owens, Bradley P; Tesluk, Paul E

2016-12-01

The present study was designed to produce novel theoretical insight regarding how leader humility and team member characteristics foster the conditions that promote shared leadership and when shared leadership relates to team effectiveness. Drawing on social information processing theory and adaptive leadership theory, we propose that leader humility facilitates shared leadership by promoting leadership-claiming and leadership-granting interactions among team members. We also apply dominance complementary theory to propose that team proactive personality strengthens the impact of leader humility on shared leadership. Finally, we predict that shared leadership will be most strongly related to team performance when team members have high levels of task-related competence. Using a sample composed of 62 Taiwanese professional work teams, we find support for our proposed hypothesized model. The theoretical and practical implications of these results for team leadership, humility, team composition, and shared leadership are discussed. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Learning outcomes of "The Oncology Patient" study among nursing students: A comparison of teaching strategies.

PubMed

Roca, Judith; Reguant, Mercedes; Canet, Olga

2016-11-01

Teaching strategies are essential in order to facilitate meaningful learning and the development of high-level thinking skills in students. To compare three teaching methodologies (problem-based learning, case-based teaching and traditional methods) in terms of the learning outcomes achieved by nursing students. This quasi-experimental research was carried out in the Nursing Degree programme in a group of 74 students who explored the subject of The Oncology Patient through the aforementioned strategies. A performance test was applied based on Bloom's Revised Taxonomy. A significant correlation was found between the intragroup theoretical and theoretical-practical dimensions. Likewise, intergroup differences were related to each teaching methodology. Hence, significant differences were estimated between the traditional methodology (x-=9.13), case-based teaching (x-=12.96) and problem-based learning (x-=14.84). Problem-based learning was shown to be the most successful learning method, followed by case-based teaching and the traditional methodology. Copyright © 2016 Elsevier Ltd. All rights reserved.

Setting a disordered password on a photonic memory

NASA Astrophysics Data System (ADS)

Su, Shih-Wei; Gou, Shih-Chuan; Chew, Lock Yue; Chang, Yu-Yen; Yu, Ite A.; Kalachev, Alexey; Liao, Wen-Te

2017-06-01

An all-optical method of setting a disordered password on different schemes of photonic memory is theoretically studied. While photons are regarded as ideal information carriers, it is imperative to implement such data protection on all-optical storage. However, we wish to address the intrinsic risk of data breaches in existing schemes of photonic memory. We theoretically demonstrate a protocol using spatially disordered laser fields to encrypt data stored on an optical memory, namely, encrypted photonic memory. To address the broadband storage, we also investigate a scheme of disordered echo memory with a high fidelity approaching unity. The proposed method increases the difficulty for the eavesdropper to retrieve the stored photon without the preset password even when the randomized and stored photon state is nearly perfectly cloned. Our results pave ways to significantly reduce the exposure of memories, required for long-distance communication, to eavesdropping and therefore restrict the optimal attack on communication protocols. The present scheme also increases the sensitivity of detecting any eavesdropper and so raises the security level of photonic information technology.

Properties of iron under core conditions

NASA Astrophysics Data System (ADS)

Brown, J. M.

2003-04-01

Underlying an understanding of the geodynamo and evolution of the core is knowledge of the physical and chemical properties of iron and iron mixtures under high pressure and temperature conditions. Key properties include the viscosity of the fluid outer core, thermal diffusivity, equations-of-state, elastic properties of solid phases, and phase equilibria for iron and iron-dominated mixtures. As is expected for work that continues to tax technological and intellectual limits, controversy has followed both experimental and theoretical progress in this field. However, estimates for the melting temperature of the inner core show convergence and the equation-of-state for iron as determined in independent experiments and theories are in remarkable accord. Furthermore, although the structure and elastic properties of the solid inner-core phase remains uncertain, theoretical and experimental underpinnings are better understood and substantial progress is likely in the near future. This talk will focus on an identification of properties that are reasonably well known and those that merit further detailed study. In particular, both theoretical and experimental (static and shock wave) determinations of the density of iron under extreme conditions are in agreement at the 1% or better level. The behavior of the Gruneisen parameter (which determines the geothermal gradient and controls much of the outer core heat flux) is constrained by experiment and theory under core conditions for both solid and liquid phases. Recent experiments and theory are suggestive of structure or structures other than the high-pressure hexagonal close-packed (HCP) phase. Various theories and experiments for the elasticity of HCP iron remain in poor accord. Uncontroversial constraints on core chemistry will likely never be possible. However, reasonable bounds are possible on the basis of seismic profiles, geochemical arguments, and determinations of sound velocities and densities at high pressure and temperature.

Effect of level difference between left and right vocal folds on phonation: Physical experiment and theoretical study.

PubMed

Tokuda, Isao T; Shimamura, Ryo

2017-08-01

As an alternative factor to produce asymmetry between left and right vocal folds, the present study focuses on level difference, which is defined as the distance between the upper surfaces of the bilateral vocal folds in the inferior-superior direction. Physical models of the vocal folds were utilized to study the effect of the level difference on the phonation threshold pressure. A vocal tract model was also attached to the vocal fold model. For two types of different models, experiments revealed that the phonation threshold pressure tended to increase as the level difference was extended. Based upon a small amplitude approximation of the vocal fold oscillations, a theoretical formula was derived for the phonation threshold pressure. This theory agrees with the experiments, especially when the phase difference between the left and right vocal folds is not extensive. Furthermore, an asymmetric two-mass model was simulated with a level difference to validate the experiments as well as the theory. The primary conclusion is that the level difference has a potential effect on voice production especially for patients with an extended level of vertical difference in the vocal folds, which might be taken into account for the diagnosis of voice disorders.

Self-reported versus behavioral self-handicapping: empirical evidence for a theoretical distinction.

PubMed

Hirt, E R; Deppe, R K; Gordon, L J

1991-12-01

The present study was an investigation of how Ss would respond when given 2 self-handicapping options, 1 behavioral (withdrawal of practice effort) and 1 self-reported (reporting high levels of stress). Ss anticipating a diagnostic test of intellectual ability were given different instructions regarding the effects of stress and practice on test performance. Ss were told that (a) stress only, (b) practice only, (c) both stress and practice, or (d) neither stress nor practice affected test scores. Ss were then given the opportunity to self-report a handicap on a stress inventory and to behaviorally self-handicap by failing to practice before the test. High self-handicapping men and women showed evidence of self-reported handicapping, but only high self-handicapping men behaviorally self-handicapped. However, when both self-handicaps were viable, both high self-handicapping men and women preferred the self-reported over the behavioral self-handicap.

Hub loads analysis of the SA349/2 helicopter

NASA Technical Reports Server (NTRS)

Heffernan, R. M.; Yamauchi, G. K.; Gaubert, M.; Johnson, W.

1988-01-01

The forces and moments at the rotor hub of an Aerospatiale SA349/2 helicopter were investigated. The study included three main topics. First, measured hub forces and moments for a range of level flight conditions (mu = 0.14 to 0.37) were compared with predictions from a comprehensive rotorcraft analysis to examine the influence of the wake model on the correlations. Second, the effect of changing the blade mass distribution and blade chordwise center of gravity location on the 3/rev nonrotating frame hub loads was studied for a high-speed flight condition (mu = 0.37). Third, the use of higher harmonic control to reduce nonrotating frame 3/rev hub shear forces was investigated. The last two topics were theoretical studies only.

Theoretical Studies on InGaAs/InAlAs SAGCM Avalanche Photodiodes

NASA Astrophysics Data System (ADS)

Cao, Siyu; Zhao, Yue; ur Rehman, Sajid; Feng, Shuai; Zuo, Yuhua; Li, Chuanbo; Zhang, Lichun; Cheng, Buwen; Wang, Qiming

2018-05-01

In this paper, we provide a detailed insight on InGaAs/InAlAs separate absorption, grading, charge, and multiplication avalanche photodiodes (SAGCM APDs) and a theoretical model of APDs is built. Through theoretical analysis and two-dimensional (2D) simulation, the influence of charge layer and tunneling effect on the APDs is fully understood. The design of charge layer (including doping level and thickness) can be calculated by our predictive model for different multiplication thickness. We find that as the thickness of charge layer increases, the suitable doping level range in charge layer decreases. Compared to thinner charge layer, performance of APD varies significantly via several percent deviations of doping concentrations in thicker charge layer. Moreover, the generation rate ( G btt ) of band-to-band tunnel is calculated, and the influence of tunneling effect on avalanche field was analyzed. We confirm that avalanche field and multiplication factor ( M n ) in multiplication will decrease by the tunneling effect. The theoretical model and analysis are based on InGaAs/InAlAs APD; however, they are applicable to other APD material systems as well.

Theoretical Dipole Moment for the X211 State of NO

NASA Technical Reports Server (NTRS)

Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.; Partridge, Harry; Arnold, James O. (Technical Monitor)

1994-01-01

The dipole moment function for the X(sup 2)II state of NO is studied as a function of the completeness in both the one- and n-particle spaces. Einstein coefficients are presented that are significantly more accurate than previous tabulations for the higher vibrational levels. The theoretical values give considerable insight into the limitations of recently published ratios of Einstein coefficients measured by spectrally resolved infrared chemiluminescence.

Kinetics of Substrate Biodegradation under the Cumulative Effects of Bioavailability and Self-Inhibition.

PubMed

Gharasoo, Mehdi; Centler, Florian; Van Cappellen, Philippe; Wick, Lukas Y; Thullner, Martin

2015-05-05

Microbial degradation is an important process in many environments controlling for instance the cycling of nutrients or the biodegradation of contaminants. At high substrate concentrations toxic effects may inhibit the degradation process. Bioavailability limitations of a degradable substrate can therefore either improve the overall dynamics of degradation by softening the contaminant toxicity effects to microorganisms, or slow down the biodegradation by reducing the microbial access to the substrate. Many studies on biodegradation kinetics of a self-inhibitive substrate have mainly focused on physiological responses of the bacteria to substrate concentration levels without considering the substrate bioavailability limitations rising from different geophysical and geochemical dynamics at pore-scale. In this regard, the role of bioavailability effects on the kinetics of self-inhibiting substrates is poorly understood. In this study, we theoretically analyze this role and assess the interactions between self-inhibition and mass transfer-limitations using analytical/numerical solutions, and show the findings practical relevance for a simple model scenario. Although individually self-inhibition and mass-transfer limitations negatively impact biodegradation, their combined effect may enhance biodegradation rates above a concentration threshold. To our knowledge, this is the first theoretical study describing the cumulative effects of the two mechanisms together.

Synthesis, theoretical studies and molecular docking of a novel chlorinated tetracyclic: (Z/E)-3-(1,8-dichloro-9,10-dihydro-9,10-ethanoanthracen-11-yl)acrylaldehyde

NASA Astrophysics Data System (ADS)

Sultan, Mujeeb A.; Almansour, Abdulrahman I.; Pillai, Renjith Raveendran; Kumar, Raju Suresh; Arumugam, Natarajan; Armaković, Stevan; Armaković, Sanja J.; Soliman, Saied M.

2017-12-01

(Z/E)-3-(1,8-Dichloro-9,10-dihydro-9,10-ethanoanthracen-11-yl)acrylaldehyde 2 has been investigated experimentally and theoretically. The Wittig reaction of 1,8-dichloro-9,10-dihydro-9,10-ethanoanthracene-11-carbaldehyde 1 and (triphenylphosphoranylidene) acetaldehyde in toluene under reflux conditions resulted in compound 2. Spectroscopic characterization of compound 2 was performed by the Fourier-transform infrared spectroscopy, nuclear magnetic resonance, and high-resolution mass spectroscopy techniques. Density functional theory (DFT) calculations were conducted to study various global and local reactive properties. The spectra were also obtained by DFT calculations and corresponding comparisons were performed to validate the level of theory. Using DFT calculations, reactivity has been studied based on frontier molecular orbitals, charge distribution, average local ionization energies, Fukui functions, and bond dissociation energies for hydrogen abstraction. Molecular dynamics simulations have been used to investigate the influence of water as a solvent for compound 2. Finally, compound 2 was docked into the central and allosteric binding sites of the serotonin transporter enzyme and was found to be a good candidate as an antidepressant-like compound.

Stressful Life Events and Child Anxiety: Examining Parent and Child Mediators

PubMed Central

Platt, Rheanna; Williams, Sarah R.; Ginsburg, Golda S.

2015-01-01

While a number of factors have been linked with excessive anxiety (e.g., parenting, child temperament), the impact of stressful life events remains under-studied. Moreover, much of this literature has examined bivariate associations rather than testing more complex theoretical models. The current study extends the literature on life events and child anxiety by testing a theory-driven meditational model. Specifically, one child factor (child cognitions/locus of control), two parent factors (parent psychopathology and parenting stress), and two parent-child relationship factors (parent-child dysfunctional interaction and parenting style) were examined as mediators in the relationship between stressful life events and severity of child anxiety. One hundred and thirty anxious parents and their nonanxious, high-risk children (ages ranged from 7 to 13 years) participated in this study. Results indicated that levels of parenting stress, parental anxious rearing, and dysfunctional parent-child interaction mediated the association between stressful life events and severity of anxiety symptoms. Child cognition and parent psychopathology factors failed to emerge as mediators. Findings provide support for more complex theoretical models linking life events and child anxiety and suggest potential targets of intervention. PMID:25772523

Continuous real-time in vivo measurement of cerebral nitric oxide supports theoretical predictions of an irreversible switching in cerebral ROS after sufficient exposure to external toxins.

PubMed

Finnerty, Niall J; O'Riordan, Saidhbhe L; Lowry, John P; Cloutier, Mathieu; Wellstead, Peter

2013-01-01

Mathematical models of the interactions between alphasynuclein (αS) and reactive oxygen species (ROS) predict a systematic and irreversible switching to damagingly high levels of ROS after sufficient exposure to risk factors associated with Parkinson's disease (PD). We tested this prediction by continuously monitoring real-time changes in neurochemical levels over periods of several days in animals exposed to a toxin known to cause Parkinsonian symptoms. Nitric oxide (NO) sensors were implanted in the brains of freely moving rats and the NO levels continuously recorded while the animals were exposed to paraquat (PQ) injections of various amounts and frequencies. Long-term, real-time measurement of NO in a cohort of animals showed systematic switching in levels when PQ injections of sufficient size and frequency were administered. The experimental observations of changes in NO imply a corresponding switching in endogenous ROS levels and support theoretical predictions of an irreversible change to damagingly high levels of endogenous ROS when PD risks are sufficiently large. Our current results only consider one form of PD risk, however, we are sufficiently confident in them to conclude that: (i) continuous long-term measurement of neurochemical dynamics provide a novel way to measure the temporal change and system dynamics which determine Parkinsonian damage, and (ii) the bistable feedback switching predicted by mathematical modelling seems to exist and that a deeper analysis of its characteristics would provide a way of understanding the pathogenic mechanisms that initiate Parkinsonian cell damage.

Laboratory meter-scale seismic monitoring of varying water levels in granular media

NASA Astrophysics Data System (ADS)

Pasquet, S.; Bodet, L.; Bergamo, P.; Guérin, R.; Martin, R.; Mourgues, R.; Tournat, V.

2016-12-01

Laboratory physical modelling and non-contacting ultrasonic techniques are frequently proposed to tackle theoretical and methodological issues related to geophysical prospecting. Following recent developments illustrating the ability of seismic methods to image spatial and/or temporal variations of water content in the vadose zone, we developed laboratory experiments aimed at testing the sensitivity of seismic measurements (i.e., pressure-wave travel times and surface-wave phase velocities) to water saturation variations. Ultrasonic techniques were used to simulate typical seismic acquisitions on small-scale controlled granular media presenting different water levels. Travel times and phase velocity measurements obtained at the dry state were validated with both theoretical models and numerical simulations and serve as reference datasets. The increasing water level clearly affects the recorded wave field in both its phase and amplitude, but the collected data cannot yet be inverted in the absence of a comprehensive theoretical model for such partially saturated and unconsolidated granular media. The differences in travel time and phase velocity observed between the dry and wet models show patterns that are interestingly coincident with the observed water level and depth of the capillary fringe, thus offering attractive perspectives for studying soil water content variations in the field.

Theoretical study of the diatomic alkali and alkaline-earth oxides

NASA Technical Reports Server (NTRS)

Langhoff, S. R.; Bauschlicher, C. W., Jr.; Partridge, H.

1986-01-01

Theoretical dissociation energies for the ground states of the alkali and alkaline earth oxides are presented that are believed to be accurate to 0.1 eV. The 2 Pi - 2 Sigma + separations for the alkali oxides are found to be more sensitive to basis set than to electron correlation. Predicted 2 Pi ground states for LiO and NaO and 2 Sigma + ground states for RbO and CsO are found to be in agreement with previous theoretical and experimental work. For KO, a 2 Sigma + state is found at both the numerical Hartree-Fock (NHF) level and at the singles plus doubles configuration interaction level using a Slater basis set that is within 0.02 eV of the NHF limit. It is found that an accurate balanced treatment of the two states requires correlating the electrons on both the metal and oxide ion.

Environmental and genetic sources of diversification in the timing of seed germination: implications for the evolution of bet hedging.

PubMed

Simons, Andrew M; Johnston, Mark O

2006-11-01

Environmental variation that is not predictably related to cues is expected to drive the evolution of bet-hedging strategies. The high variance observed in the timing of seed germination has led to it being the most cited diversification strategy in the theoretical bet-hedging literature. Despite this theoretical focus, virtually nothing is known about the mechanisms responsible for the generation of individual-level diversification. Here we report analyses of sources of variation in timing of germination within seasons, germination fraction over two generations and three sequential seasons, and the genetic correlation structure of these traits using almost 10,000 seeds from more than 100 genotypes of the monocarpic perennial Lobelia inflata. Microenvironmental analysis of time to germination suggests that extreme sensitivity to environmental gradients, or microplasticity, even within a homogeneous growth chamber, may act as an effective individual-level diversification mechanism and explains more than 30% of variance in time to germination. The heritability of within-season timing of germination was low (h(2) = 0.07) but significant under homogeneous conditions. Consistent with individual-level diversification, this low h(2) was attributable not to low additive genetic variance, but to an unusually high coefficient of residual variation in time to germination. Despite high power to detect additive genetic variance in within-season diversification, it was low and indistinguishable from zero. Restricted maximum likelihood detected significant genetic variation for germination fraction (h(2) = 0.18) under homogeneous conditions. Unexpectedly, this heritability was positive when measured within a generation by sibling analysis and negative when measured across generations by offspring-on-parent regression. The consistency of dormancy fraction over multiple delays, a major premise of Cohen's classic model, was supported by a strong genetic correlation (r = 0.468) observed for a cohort's germination fraction over two seasons. We discuss implications of the results for the evolution of bet hedging and highlight the need for further empirical study of the causal components of diversification.

A density functional theory study on the thermodynamic and dynamic properties of anthraquinone analogue cathode materials for rechargeable lithium ion batteries.

PubMed

Yang, Shu-Jing; Qin, Xiao-Ya; He, Rongxing; Shen, Wei; Li, Ming; Zhao, Liu-Bin

2017-05-21

Organic redox compounds have become the emerging electrode materials for rechargeable lithium ion batteries. The high electrochemical performance provides organic electrode materials with great opportunities to be applied in electric energy storage devices. Among the different types of organic materials, conjugated carbonyl compounds are the most promising type at present, because only they can simultaneously achieve, high energy density, high cycling stability, and high power density. In this research, a series of heteroatom substituted anthraquinone (AQ) derivatives were designed theoretically so that the high theoretical capacity of AQ remained. The discharge and charge mechanism as well as the thermodynamic and dynamic properties of AQ and its derivatives were investigated using first-principles density functional theory. Using heteroatom substitution, both the thermodynamic and dynamic properties of AQ as cathode materials could be largely improved. Among these conjugated carboxyl compounds, BDOZD and BDIOZD with a simultaneously high theoretical capacity and high working potential exhibit the largest energy density of about 780 W h kg -1 , which is 41% larger than that of AQ. The PQD with the smallest value of λ gives the largest charge transfer rate constant, which is about four times as large as the prototype molecule, AQ. The most interesting finding is that the lithium ion transfer plays a very important role in influencing both the discharge potential and electrochemical charge transfer rate. The present study illustrates that theoretical calculations provide a highly effective way to discover potential materials for use with rechargeable lithium ion batteries.

EmptyHeaded: A Relational Engine for Graph Processing

PubMed Central

Aberger, Christopher R.; Tu, Susan; Olukotun, Kunle; Ré, Christopher

2016-01-01

There are two types of high-performance graph processing engines: low- and high-level engines. Low-level engines (Galois, PowerGraph, Snap) provide optimized data structures and computation models but require users to write low-level imperative code, hence ensuring that efficiency is the burden of the user. In high-level engines, users write in query languages like datalog (SociaLite) or SQL (Grail). High-level engines are easier to use but are orders of magnitude slower than the low-level graph engines. We present EmptyHeaded, a high-level engine that supports a rich datalog-like query language and achieves performance comparable to that of low-level engines. At the core of EmptyHeaded’s design is a new class of join algorithms that satisfy strong theoretical guarantees but have thus far not achieved performance comparable to that of specialized graph processing engines. To achieve high performance, EmptyHeaded introduces a new join engine architecture, including a novel query optimizer and data layouts that leverage single-instruction multiple data (SIMD) parallelism. With this architecture, EmptyHeaded outperforms high-level approaches by up to three orders of magnitude on graph pattern queries, PageRank, and Single-Source Shortest Paths (SSSP) and is an order of magnitude faster than many low-level baselines. We validate that EmptyHeaded competes with the best-of-breed low-level engine (Galois), achieving comparable performance on PageRank and at most 3× worse performance on SSSP. PMID:28077912

Energetic Neutral Atom Emissions From Venus: VEX Observations and Theoretical Modeling

NASA Technical Reports Server (NTRS)

Fok, M.-C.; Galli, A.; Tanaka, T.; Moore, T. E.; Wurz, P.; Holmstrom, M.

2007-01-01

Venus has almost no intrinsic magnetic field to shield itself from its surrounding environment. The solar wind thus directly interacts with the planetary ionosphere and atmosphere. One of the by-products of this close encounter is the production of energetic neutral atom (ENA) emissions. Theoretical studies have shown that significant amount of ENAs are emanated from the planet. The launch of the Venus Express (VEX) in 2005 provided the first light ever of the Venus ENA emissions. The observed ENA flux level and structure are in pretty good agreement with the theoretical studies. In this paper, we present VEX ENA data and the comparison with numerical simulations. We seek to understand the solar wind interaction with the planet and the impacts on its atmospheres.

Excitation and Ionization Cross Sections for Electron-Beam Energy Deposition in High Temperature Air

DTIC Science & Technology

1987-07-09

are given and compared to existing experimental results or other theoretical approaches. This information can readily be used as input for a deposition...of the doubly-differential, singly- differential and total ionization cross sections which subsequently served to guide theoretical calculations on...coworkers have been leaders in developing a theoretical base for studying electron production and energy deposition in atmospheric gases such as He, N2

"Growing Up" through the Middle Level Years: A Case Study in Leadership Actions Necessary to Meet Students' Needs

ERIC Educational Resources Information Center

Smith, M. Melissa Richard

2010-01-01

The purpose of this qualitative study was to examine the journey of a suburban middle level principal, as she led a school through an educational change process. This was a single case study design involving the school leader as principal participant, and the researcher as participant observer. The theoretical model that was developed for this…

Using the Job Demands-Resources model to investigate risk perception, safety climate and job satisfaction in safety critical organizations.

PubMed

Nielsen, Morten Birkeland; Mearns, Kathryn; Matthiesen, Stig Berge; Eid, Jarle

2011-10-01

Using the Job Demands-Resources model (JD-R) as a theoretical framework, this study investigated the relationship between risk perception as a job demand and psychological safety climate as a job resource with regard to job satisfaction in safety critical organizations. In line with the JD-R model, it was hypothesized that high levels of risk perception is related to low job satisfaction and that a positive perception of safety climate is related to high job satisfaction. In addition, it was hypothesized that safety climate moderates the relationship between risk perception and job satisfaction. Using a sample of Norwegian offshore workers (N = 986), all three hypotheses were supported. In summary, workers who perceived high levels of risk reported lower levels of job satisfaction, whereas this effect diminished when workers perceived their safety climate as positive. Follow-up analyses revealed that this interaction was dependent on the type of risks in question. The results of this study supports the JD-R model, and provides further evidence for relationships between safety-related concepts and work-related outcomes indicating that organizations should not only develop and implement sound safety procedures to reduce the effects of risks and hazards on workers, but can also enhance other areas of organizational life through a focus on safety. © 2011 The Authors. Scandinavian Journal of Psychology © 2011 The Scandinavian Psychological Associations.

Risk factors for DSM 5 PTSD symptoms in Israeli civilians during the Gaza war.

PubMed

Gil, Sharon; Weinberg, Michael; Or-Chen, Keren; Harel, Hila

2015-04-01

In light of the current modifications presented in the diagnostic criteria of posttraumatic stress disorder (PTSD) in the DSM 5, this study aimed at revalidating well-known PTSD risk factors, including gender, peritraumatic dissociation, social support, level of threat, and trait tendency for forgiveness. Five hundred and one Israeli civilians were assessed during real-time exposure to missile and rocket fire at the eruption of the Gaza war. Assessments took place approximately one to 2 weeks after the beginning of this military operation, relying on web administration of the study, which allowed simultaneous data collection from respondents in the three regions in Israel that were under attack. A structural equation model design revealed that higher levels of forgiveness toward situations were associated with fewer PTSD symptoms, whereas peritraumatic dissociation and high levels of objective and subjective threat were positively associated with PTSD symptoms. Additionally, females were at higher risk for PTSD symptoms than males. The findings of this study provide further evidence for the importance of directing preventive attention to those vulnerable to the development of elevated levels of PTSD symptoms. Theoretical and clinical implications of the findings are discussed.

Chaos in nuclei: Theory and experiment

NASA Astrophysics Data System (ADS)

Muñoz, L.; Molina, R. A.; Gómez, J. M. G.

2018-05-01

During the last three decades the quest for chaos in nuclei has been quite intensive, both with theoretical calculations using nuclear models and with detailed analyses of experimental data. In this paper we outline the concept and characteristics of quantum chaos in two different approaches, the random matrix theory fluctuations and the time series fluctuations. Then we discuss the theoretical and experimental evidence of chaos in nuclei. Theoretical calculations, especially shell-model calculations, have shown a strongly chaotic behavior of bound states in regions of high level density. The analysis of experimental data has shown a strongly chaotic behavior of nuclear resonances just above the one-nucleon emission threshold. For bound states, combining experimental data of a large number of nuclei, a tendency towards chaotic motion is observed in spherical nuclei, while deformed nuclei exhibit a more regular behavior associated to the collective motion. On the other hand, it had never been possible to observe chaos in the experimental bound energy levels of any single nucleus. However, the complete experimental spectrum of the first 151 states up to excitation energies of 6.20 MeV in the 208Pb nucleus have been recently identified and the analysis of its spectral fluctuations clearly shows the existence of chaotic motion.

A strategic approach to physico-chemical analysis of bis (thiourea) lead chloride - A reliable semi-organic nonlinear optical crystal

NASA Astrophysics Data System (ADS)

Rajagopalan, N. R.; Krishnamoorthy, P.; Jayamoorthy, K.

2017-03-01

Good quality crystals of bis thiourea lead chloride (BTLC) have been grown by slow evaporation method from aqueous solution. Orthorhombic structure and Pna21 space group of the crystals have been identified by single crystal X-ray diffraction. Studies on nucleation kinetics of grown BTLC has been carried out from which meta-stable zone width, induction period, free energy change, critical radius, critical number and growth rate have been calculated. The experimental values of interfacial surface energy for the crystal growth process have been compared with theoretical models. Ultra violet transmittance studies resulted in a high transmittance and wide band gap energy suggested the required optical transparency of the crystal. The second harmonic generation (SHG) and phase matching nature of the crystal have been justified by Kurtz-Perry method. The SHG nature of the crystal has been further attested by the higher values of theoretical hyper polarizability. The dielectric nature of the crystals at different temperatures with varying frequencies has been thoroughly studied. The activation energy values of the electrical process have been calculated from ac conductivity study. Solid state parameters including valence electron plasma energy, Penn gap, Fermi energy and polarisability have been unveiled by theoretical approach and correlated with the crystal's SHG efficiency. The values of hardness number, elastic stiffness constant, Meyer's Index, minimum level of indentation load, load dependent constant, fracture toughness, brittleness index and corrected hardness obtained from Vicker's hardness test clearly showed that the BTLC crystal has good mechanical stability required for NLO device fabrication.

Anomalous property of Ag(BO2)2 hyperhalogen: does spin-orbit coupling matter?

PubMed

Chen, Hui; Kong, Xiang-Yu; Zheng, Weijun; Yao, Jiannian; Kandalam, Anil K; Jena, Puru

2013-10-07

Hyperhalogens were recently identified as a new class of highly electronagative species which are composed of metals and superhalogens. In this work, high-level theoretical calculations and photoelectron spectroscopy experiments are systematically conducted to investigate a series of coinage-metal-containing hyperhalogen anions, Cu(BO(2))(2)(-), Ag(BO(2))(2)(-), and Au(BO(2))(2)(-). The vertical electron detachment energy (VDE) of Ag(BO(2))(2)(-) is anomalously higher than those of Au(BO(2))(2)(-) and Cu(BO(2))(2)(-). In quantitative agreement with the experiment, high-level ab initio calculations reveal that spin-orbit coupling (SOC) lowers the VDE of Au(BO(2))(2)(-) significantly. The sizable magnitude of about 0.5 eV of SOC effect on the VDE of Au(BO(2))(2)(-) demonstrates that SOC plays an important role in the electronic structure of gold hyperhalogens. This study represents a new paradigm for relativistic electronic structure calculations for the one-electron-removal process of ionic Au(I)L(2) complexes, which is characterized by a substantial SOC effect. Copyright © 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim.

Level 2 Ancillary Products and Datasets Algorithm Theoretical Basis

NASA Technical Reports Server (NTRS)

Diner, D.; Abdou, W.; Gordon, H.; Kahn, R.; Knyazikhin, Y.; Martonchik, J.; McDonald, D.; McMuldroch, S.; Myneni, R.; West, R.

1999-01-01

This Algorithm Theoretical Basis (ATB) document describes the algorithms used to generate the parameters of certain ancillary products and datasets used during Level 2 processing of Multi-angle Imaging SpectroRadiometer (MIST) data.

Analysis of extracellular polymeric substances (EPS) and ciprofloxacin-degrading microbial community in the combined Fe-C micro-electrolysis-UBAF process for the elimination of high-level ciprofloxacin.

PubMed

Zhang, Longlong; Yue, Qinyan; Yang, Kunlun; Zhao, Pin; Gao, Baoyu

2018-02-01

Extracellular polymeric substances (EPS) and ciprofloxacin-degrading microbial community in the combined Fe-C micro-electrolysis and up-flow biological aerated filter (UBAF) process for the treatment of high-level ciprofloxacin (CIP) were analyzed. The research demonstrated a great potential of Fe-C micro-electrolysis-UBAF for the elimination of high-level CIP. Above 90% of CIP removal was achieved through the combined process at 100 mg L -1 of CIP loading. In UBAF, the pollutants were mainly removed at 0-70 cm heights. Three-dimensional fluorescence spectrum (3D-EEM) was used to characterize the chemical structural of loosely bound EPS (LB-EPS) and tightly bound EPS (TB-EPS) extracted from biofilm sample in UBAF. The results showed that the protein-like substances in LB-EPS and TB-EPS had no clear change in the study. Nevertheless, an obvious release of polysaccharides in EPSs was observed during long-term exposure to CIP, which was considered as a protective response of microbial to CIP toxic. The high-throughput sequencing results revealed that the biodiversity of bacteria community became increasingly rich with gradual ciprofloxacin biodegradation in UBAF. The ciprofloxacin-degrading microbial community was mainly dominated by Proteobacteria and Bacteroidetes. Microorganisms from genera Dechloromonas, Brevundimonas, Flavobacterium, Sphingopyxis and Bosea might take a major role in ciprofloxacin degradation. This study provides deep theoretical guidance for real CIP wastewater treatment. Copyright © 2017. Published by Elsevier Ltd.

Radiative data for highly excited 3d84d levels in Ni II from laboratory measurements and atomic calculations

NASA Astrophysics Data System (ADS)

Hartman, H.; Engström, L.; Lundberg, H.; Nilsson, H.; Quinet, P.; Fivet, V.; Palmeri, P.; Malcheva, G.; Blagoev, K.

2017-04-01

Aims: This work reports new experimental radiative lifetimes and calculated oscillator strengths for transitions from 3d84d levels of astrophysical interest in singly ionized nickel. Methods: Radiative lifetimes of seven high-lying levels of even parity in Ni II (98 400-100 600 cm-1) have been measured using the time-resolved laser-induced fluorescence method. Two-step photon excitation of ions produced by laser ablation has been utilized to populate the levels. Theoretical calculations of the radiative lifetimes of the measured levels and transition probabilities from these levels are reported. The calculations have been performed using a pseudo-relativistic Hartree-Fock method, taking into account core polarization effects. Results: A new set of transition probabilities and oscillator strengths has been deduced for 477 Ni II transitions of astrophysical interest in the spectral range 194-520 nm depopulating even parity 3d84d levels. The new calculated gf-values are, on the average, about 20% higher than a previous calculation and yield lifetimes within 5% of the experimental values.

Sibutramine characterization and solubility, a theoretical study

NASA Astrophysics Data System (ADS)

Aceves-Hernández, Juan M.; Nicolás Vázquez, Inés; Hinojosa-Torres, Jaime; Penieres Carrillo, Guillermo; Arroyo Razo, Gabriel; Miranda Ruvalcaba, René

2013-04-01

Solubility data from sibutramine (SBA) in a family of alcohols were obtained at different temperatures. Sibutramine was characterized by using thermal analysis and X-ray diffraction technique. Solubility data were obtained by the saturation method. The van't Hoff equation was used to obtain the theoretical solubility values and the ideal solvent activity coefficient. No polymorphic phenomena were found from the X-ray diffraction analysis, even though this compound is a racemic mixture of (+) and (-) enantiomers. Theoretical calculations showed that the polarisable continuum model was able to reproduce the solubility and stability of sibutramine molecule in gas phase, water and a family of alcohols at B3LYP/6-311++G (d,p) level of theory. Dielectric constant, dipolar moment and solubility in water values as physical parameters were used in those theoretical calculations for explaining that behavior. Experimental and theoretical results were compared and good agreement was obtained. Sibutramine solubility increased from methanol to 1-octanol in theoretical and experimental results.

Attentional processing of other's facial display of pain: an eye tracking study.

PubMed

Vervoort, Tine; Trost, Zina; Prkachin, Kenneth M; Mueller, Sven C

2013-06-01

The present study investigated the role of observer pain catastrophizing and personal pain experience as possible moderators of attention to varying levels of facial pain expression in others. Eye movements were recorded as a direct and continuous index of attention allocation in a sample of 35 undergraduate students while viewing slides presenting picture pairs consisting of a neutral face combined with either a low, moderate, or high expressive pain face. Initial orienting of attention was measured as latency and duration of first fixation to 1 of 2 target images (i.e., neutral face vs pain face). Attentional maintenance was measured by gaze duration. With respect to initial orienting to pain, findings indicated that participants reporting low catastrophizing directed their attention more quickly to pain faces than to neutral faces, with fixation becoming increasingly faster with increasing levels of facial pain expression. In comparison, participants reporting high levels of catastrophizing showed decreased tendency to initially orient to pain faces, fixating equally quickly on neutral and pain faces. Duration of the first fixation revealed no significant effects. With respect to attentional maintenance, participants reporting high catastrophizing and pain intensity demonstrated significantly longer gaze duration for all face types (neutral and pain expression), relative to low catastrophizing counterparts. Finally, independent of catastrophizing, higher reported pain intensity contributed to decreased attentional maintenance to pain faces vs neutral faces. Theoretical implications and further research directions are discussed. Copyright © 2013 International Association for the Study of Pain. Published by Elsevier B.V. All rights reserved.

The effects of friendship network popularity on depressive symptoms during early adolescence: moderation by fear of negative evaluation and gender.

PubMed

Kornienko, Olga; Santos, Carlos E

2014-04-01

We integrated a social network analysis and developmental perspectives to examine the effects of friendship network popularity on depressive symptoms during early adolescence. We explored whether the association between social status processes (i.e., friendship network popularity) and depressive symptoms was moderated by socio-cognitive aspects of peer relations (i.e., a fear of negative evaluation by peers) and gender. This longitudinal study was conducted with a sample of 367 adolescents (48.5 % female; M age = 11.9 years; 9 % European American, 19 % African American, 7 % Native American, 60 % Latino(a), 5 % other) attending sixth and seventh grades at Time 1. Results indicated that, for males with high levels of fear of negative evaluation, friendship network popularity was associated negatively with increases in depressive symptoms. Conversely, for females with high levels of fear of negative evaluation, friendship network popularity was associated positively with increases in depressive symptoms. Theoretical and clinical implications are discussed.

Sense and nonsense of logic-level optical interconnect: reflections on an experiment

NASA Astrophysics Data System (ADS)

Van Campenhout, Jan M.; Brunfaut, Marnik; Meeus, Wim; Dambre, Joni; De Wilde, Michiel

2001-12-01

Centimeter-range high-density optical interconnect between chips is coming into reach with current optical interconnect technology. Many theoretical studies have identified several good reasons why to use such types of interconnect as a replacement of various layers of the traditional electronic interconnect hierarchy. However, the true feasibility and usefulness of optical interconnects can only be established by actually building and evaluating them in a real system setting. This contribution reports on our experience in using short-range high-density optical inter-chip interconnects. It is based on the design and construction of a fully functional optoelectronic demonstrator system. We discuss the rationale for building the demonstrator in the first place, the implications of using many low-level optical interconnections in electronic systems, and the degree to which our expectations have been fulfilled by the demonstrator. The detailed description of the architecture, design and implementation of the demonstrator is not presented here, but can be found elsewhere in this issue.

An integrated theoretical approach to substance use and risky sexual behavior among men who have sex with men.

PubMed

Wells, Brooke E; Golub, Sarit A; Parsons, Jeffrey T

2011-04-01

Research demonstrates a consistent association between substance use and sexual risk, particularly among men who have sex with men (MSM). The present study builds upon two existing theories (Cognitive Escape Theory and Expectancy Theory) to examine the synergistic role of sexual conflict (surrounding unsafe sex) and expectancies in sexual behavior among 135 MSM. Two conflicts were examined: (1) The conflict between motivation to practice safer sex and temptation for unprotected sex; and (2) The conflict between motivation to practice safer sex and perceived benefits of unprotected sex. Factorial ANOVAs (2 × 2; high versus low expectancies and conflict versus no conflict) revealed a significant interaction between conflict and expectancies-individuals who reported high levels of conflict were more sensitive to the effect of expectancies than were those experiencing low levels of sexual conflict. Results demonstrate the synergistic effects of conflict and expectancies and highlight the importance of integrating existing theories to more fully consider the intrapsychic operation and experience of sexual conflicts.

The perceived familiarity gap hypothesis: examining how media attention and reflective integration relate to perceived familiarity with nanotechnology in Singapore

NASA Astrophysics Data System (ADS)

Lee, Edmund W. J.; Ho, Shirley S.

2015-05-01

Public level of familiarity with nanotechnology partly determines their acceptance or rejection of the technology. This study examines the differential influence of public attention to science news in the media and reflective integration on perceived familiarity with nanotechnology among people in the higher and lower socioeconomic status (SES) groups in Singapore. Significant three-way interactions among education, science news attention, and reflective integration variables were found. Attention to television science news narrowed the level of perceived familiarity with nanotechnology between the higher and lower SES groups for those who engaged in high elaborative processing. Science newspaper attention, on the other hand, widened the familiarity gap between the higher and lower SES groups among those who engaged in high elaborative processing. Two-way interaction among education and elaborative processing were found—elaborative processing closed the familiarity gap between higher and lower SES groups. Theoretical and practical implications were discussed.

CarPrice versus CarpRice: Word Boundary Ambiguity Influences Saccade Target Selection during the Reading of Chinese Sentences

ERIC Educational Resources Information Center

Yan, Ming; Kliegl, Reinhold

2016-01-01

As a contribution to a theoretical debate about the degree of high-level influences on saccade targeting during sentence reading, we investigated eye movements during the reading of structurally ambiguous Chinese character strings and examined whether parafoveal word segmentation could influence saccade-target selection. As expected, ambiguous…

Reducing Abstraction in High School Computer Science Education: The Case of Definition, Implementation, and Use of Abstract Data Types

ERIC Educational Resources Information Center

Sakhnini, Victoria; Hazzan, Orit

2008-01-01

The research presented in this article deals with the difficulties and mental processes involved in the definition, implementation, and use of abstract data types encountered by 12th grade advanced-level computer science students. Research findings are interpreted within the theoretical framework of "reducing abstraction" [Hazzan 1999]. The…

A Theoretical and Empirical Investigation of Teacher Collaboration for School Improvement and Student Achievement in Public Elementary Schools

ERIC Educational Resources Information Center

Goddard, Yvonne L.; Goddard, Roger D.; Tschannen-Moran, Megan

2007-01-01

Background/Context: A review of the literature demonstrates that schools are frequently called upon to improve by developing high levels of teacher collaboration. At the same time, there is a paucity of research investigating the extent to which teachers' collaborative school improvement practices are related to student achievement.…

Measuring Senior High School Students' Self-Induced Self-Reflective Thinking

ERIC Educational Resources Information Center

van Velzen, Joke H.

2017-01-01

Theoretically, reflection is known to be an essential skill for improving learning on a metacognitive level. In practice, students may not use it of their own accord to improve this kind of learning because it can be mentally demanding. The author reports on the legitimation of an instrument measuring self-induced self-reflective thinking, which…

Education, Social Capital and State Formation in Comparative Historical Perspective: Preliminary Investigations

ERIC Educational Resources Information Center

Beadie, Nancy

2010-01-01

The relationship between education and state formation in the United States differed from that in other countries in ways that have yet to be adequately accounted for in comparative and theoretical literatures. Specifically, in the northern United States, very high levels of mass school attendance and funding were achieved prior to and outside…

Theoretical study in carrier mobility of two-dimensional materials

NASA Astrophysics Data System (ADS)

Huang, R.

2017-09-01

Recently, the theoretical prediction on carrier mobility of two-dimensional (2D) materials has aroused wild attention. At present, there is still a large gap between the theoretical prediction and the device performance of the semiconductor based on the 2D layer semiconductor materials such as graphene. It is particularly important to theoretically design and screen the high-performance 2D layered semiconductor materials with suitable band gap and high carrier mobility. This paper introduces some 2D materials with fine properties and deduces the formula for mobility of the isotropic materials on the basis of the deformation potential theory and Fermic golden rule under acoustic phonon scattering conditions, and then discusses the carrier mobility of anisotropic materials with Dirac cones. We point out the misconceptions in the existing literature and discuss the correct ones.

Ultimate Gradient Limitation in Niobium Superconducting Accelerating Cavities

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

Checchin, Mattia; Grassellino, Anna; Martinello, Martina

2016-06-01

The present study is addressed to the theoretical description of the ultimate gradient limitation in SRF cavities. Our intent is to exploit experimental data to confirm models which provide feed-backs on how to improve the current state-of-art. New theoretical insight on the cavities limiting factor can be suitable to improve the quench field of N-doped cavities, and therefore to take advantage of high Q 0 at high gradients.

Information-Theoretic Approach May Shed a Light to a Better Understanding and Sustaining the Integrity of Ecological-Societal Systems under Changing Climate

NASA Astrophysics Data System (ADS)

Kim, J.

2016-12-01

Considering high levels of uncertainty, epistemological conflicts over facts and values, and a sense of urgency, normal paradigm-driven science will be insufficient to mobilize people and nation toward sustainability. The conceptual framework to bridge the societal system dynamics with that of natural ecosystems in which humanity operates remains deficient. The key to understanding their coevolution is to understand `self-organization.' Information-theoretic approach may shed a light to provide a potential framework which enables not only to bridge human and nature but also to generate useful knowledge for understanding and sustaining the integrity of ecological-societal systems. How can information theory help understand the interface between ecological systems and social systems? How to delineate self-organizing processes and ensure them to fulfil sustainability? How to evaluate the flow of information from data through models to decision-makers? These are the core questions posed by sustainability science in which visioneering (i.e., the engineering of vision) is an essential framework. Yet, visioneering has neither quantitative measure nor information theoretic framework to work with and teach. This presentation is an attempt to accommodate the framework of self-organizing hierarchical open systems with visioneering into a common information-theoretic framework. A case study is presented with the UN/FAO's communal vision of climate-smart agriculture (CSA) which pursues a trilemma of efficiency, mitigation, and resilience. Challenges of delineating and facilitating self-organizing systems are discussed using transdisciplinary toold such as complex systems thinking, dynamic process network analysis and multi-agent systems modeling. Acknowledgments: This study was supported by the Korea Meteorological Administration Research and Development Program under Grant KMA-2012-0001-A (WISE project).

Inferring individual-level processes from population-level patterns in cultural evolution

PubMed Central

Wilder, Bryan

2017-01-01

Our species is characterized by a great degree of cultural variation, both within and between populations. Understanding how group-level patterns of culture emerge from individual-level behaviour is a long-standing question in the biological and social sciences. We develop a simulation model capturing demographic and cultural dynamics relevant to human cultural evolution, focusing on the interface between population-level patterns and individual-level processes. The model tracks the distribution of variants of cultural traits across individuals in a population over time, conditioned on different pathways for the transmission of information between individuals. From these data, we obtain theoretical expectations for a range of statistics commonly used to capture population-level characteristics (e.g. the degree of cultural diversity). Consistent with previous theoretical work, our results show that the patterns observed at the level of groups are rooted in the interplay between the transmission pathways and the age structure of the population. We also explore whether, and under what conditions, the different pathways can be distinguished based on their group-level signatures, in an effort to establish theoretical limits to inference. Our results show that the temporal dynamic of cultural change over time retains a stronger signature than the cultural composition of the population at a specific point in time. Overall, the results suggest a shift in focus from identifying the one individual-level process that likely produced the observed data to excluding those that likely did not. We conclude by discussing the implications for empirical studies of human cultural evolution. PMID:28989786

The Influence of Chronic Ego Depletion on Goal Adherence: An Experience Sampling Study.

PubMed

Wang, Ligang; Tao, Ting; Fan, Chunlei; Gao, Wenbin; Wei, Chuguang

2015-01-01

Although ego depletion effects have been widely observed in experiments in which participants perform consecutive self-control tasks, the process of ego depletion remains poorly understood. Using the strength model of self-control, we hypothesized that chronic ego depletion adversely affects goal adherence and that mental effort and motivation are involved in the process of ego depletion. In this study, 203 students reported their daily performance, mental effort, and motivation with respect to goal directed behavior across a 3-week time period. People with high levels of chronic ego depletion were less successful in goal adherence than those with less chronic ego depletion. Although daily effort devoted to goal adherence increased with chronic ego depletion, motivation to adhere to goals was not affected. Participants with high levels of chronic ego depletion showed a stronger positive association between mental effort and performance, but chronic ego depletion did not play a regulatory role in the effect of motivation on performance. Chronic ego depletion increased the likelihood of behavior regulation failure, suggesting that it is difficult for people in an ego-depletion state to adhere to goals. We integrate our results with the findings of previous studies and discuss possible theoretical implications.

The Influence of Chronic Ego Depletion on Goal Adherence: An Experience Sampling Study

PubMed Central

Wang, Ligang; Tao, Ting; Fan, Chunlei; Gao, Wenbin; Wei, Chuguang

2015-01-01

Although ego depletion effects have been widely observed in experiments in which participants perform consecutive self-control tasks, the process of ego depletion remains poorly understood. Using the strength model of self-control, we hypothesized that chronic ego depletion adversely affects goal adherence and that mental effort and motivation are involved in the process of ego depletion. In this study, 203 students reported their daily performance, mental effort, and motivation with respect to goal directed behavior across a 3-week time period. People with high levels of chronic ego depletion were less successful in goal adherence than those with less chronic ego depletion. Although daily effort devoted to goal adherence increased with chronic ego depletion, motivation to adhere to goals was not affected. Participants with high levels of chronic ego depletion showed a stronger positive association between mental effort and performance, but chronic ego depletion did not play a regulatory role in the effect of motivation on performance. Chronic ego depletion increased the likelihood of behavior regulation failure, suggesting that it is difficult for people in an ego-depletion state to adhere to goals. We integrate our results with the findings of previous studies and discuss possible theoretical implications. PMID:26562839

A theoretical framework for modeling dilution enhancement of non-reactive solutes in heterogeneous porous media.

PubMed

de Barros, F P J; Fiori, A; Boso, F; Bellin, A

2015-01-01

Spatial heterogeneity of the hydraulic properties of geological porous formations leads to erratically shaped solute clouds, thus increasing the edge area of the solute body and augmenting the dilution rate. In this study, we provide a theoretical framework to quantify dilution of a non-reactive solute within a steady state flow as affected by the spatial variability of the hydraulic conductivity. Embracing the Lagrangian concentration framework, we obtain explicit semi-analytical expressions for the dilution index as a function of the structural parameters of the random hydraulic conductivity field, under the assumptions of uniform-in-the-average flow, small injection source and weak-to-mild heterogeneity. Results show how the dilution enhancement of the solute cloud is strongly dependent on both the statistical anisotropy ratio and the heterogeneity level of the porous medium. The explicit semi-analytical solution also captures the temporal evolution of the dilution rate; for the early- and late-time limits, the proposed solution recovers previous results from the literature, while at intermediate times it reflects the increasing interplay between large-scale advection and local-scale dispersion. The performance of the theoretical framework is verified with high resolution numerical results and successfully tested against the Cape Cod field data. Copyright © 2015 Elsevier B.V. All rights reserved.

Impaired cerebral blood flow networks in temporal lobe epilepsy with hippocampal sclerosis: A graph theoretical approach.

PubMed

Sone, Daichi; Matsuda, Hiroshi; Ota, Miho; Maikusa, Norihide; Kimura, Yukio; Sumida, Kaoru; Yokoyama, Kota; Imabayashi, Etsuko; Watanabe, Masako; Watanabe, Yutaka; Okazaki, Mitsutoshi; Sato, Noriko

2016-09-01

Graph theory is an emerging method to investigate brain networks. Altered cerebral blood flow (CBF) has frequently been reported in temporal lobe epilepsy (TLE), but graph theoretical findings of CBF are poorly understood. Here, we explored graph theoretical networks of CBF in TLE using arterial spin labeling imaging. We recruited patients with TLE and unilateral hippocampal sclerosis (HS) (19 patients with left TLE, and 21 with right TLE) and 20 gender- and age-matched healthy control subjects. We obtained all participants' CBF maps using pseudo-continuous arterial spin labeling and analyzed them using the Graph Analysis Toolbox (GAT) software program. As a result, compared to the controls, the patients with left TLE showed a significantly low clustering coefficient (p=0.024), local efficiency (p=0.001), global efficiency (p=0.010), and high transitivity (p=0.015), whereas the patients with right TLE showed significantly high assortativity (p=0.046) and transitivity (p=0.011). The group with right TLE also had high characteristic path length values (p=0.085), low global efficiency (p=0.078), and low resilience to targeted attack (p=0.101) at a trend level. Lower normalized clustering coefficient (p=0.081) in the left TLE and higher normalized characteristic path length (p=0.089) in the right TLE were found also at a trend level. Both the patients with left and right TLE showed significantly decreased clustering in similar areas, i.e., the cingulate gyri, precuneus, and occipital lobe. Our findings revealed differing left-right network metrics in which an inefficient CBF network in left TLE and vulnerability to irritation in right TLE are suggested. The left-right common finding of regional decreased clustering might reflect impaired default-mode networks in TLE. Copyright © 2016 Elsevier Inc. All rights reserved.

Theoretical framework to study exercise motivation for breast cancer risk reduction.

PubMed

Wood, Maureen E

2008-01-01

To identify an appropriate theoretical framework to study exercise motivation for breast cancer risk reduction among high-risk women. An extensive review of the literature was conducted to gather relevant information pertaining to the Health Promotion Model, self-determination theory, social cognitive theory, Health Belief Model, Transtheoretical Model, theory of planned behavior, and protection motivation theory. An iterative approach was used to summarize the literature related to exercise motivation within each theoretical framework. Protection motivation theory could be used to examine the effects of perceived risk and self-efficacy in motivating women to exercise to facilitate health-related behavioral change. Evidence-based research within a chosen theoretical model can aid practitioners when making practical recommendations to reduce breast cancer risk.

Teacher Beliefs and Classroom Practices Cognitive Dissonance in High Stakes Test-Influenced Environments

ERIC Educational Resources Information Center

Guerra, Patricia L.; Wubbena, Zane C.

2017-01-01

In the current study, the authors qualitatively investigate, through the theoretical perspective of cognitive dissonance, the relationship between teacher beliefs and their associated teacher practices at two public elementary schools with diverse student populations. They argue that while teachers may hold theoretical beliefs about culturally…

Multigrid Techniques for Highly Indefinite Equations

NASA Technical Reports Server (NTRS)

Shapira, Yair

1996-01-01

A multigrid method for the solution of finite difference approximations of elliptic PDE's is introduced. A parallelizable version of it, suitable for two and multi level analysis, is also defined, and serves as a theoretical tool for deriving a suitable implementation for the main version. For indefinite Helmholtz equations, this analysis provides a suitable mesh size for the coarsest grid used. Numerical experiments show that the method is applicable to diffusion equations with discontinuous coefficients and highly indefinite Helmholtz equations.

What can neuromorphic event-driven precise timing add to spike-based pattern recognition?

PubMed

Akolkar, Himanshu; Meyer, Cedric; Clady, Zavier; Marre, Olivier; Bartolozzi, Chiara; Panzeri, Stefano; Benosman, Ryad

2015-03-01

This letter introduces a study to precisely measure what an increase in spike timing precision can add to spike-driven pattern recognition algorithms. The concept of generating spikes from images by converting gray levels into spike timings is currently at the basis of almost every spike-based modeling of biological visual systems. The use of images naturally leads to generating incorrect artificial and redundant spike timings and, more important, also contradicts biological findings indicating that visual processing is massively parallel, asynchronous with high temporal resolution. A new concept for acquiring visual information through pixel-individual asynchronous level-crossing sampling has been proposed in a recent generation of asynchronous neuromorphic visual sensors. Unlike conventional cameras, these sensors acquire data not at fixed points in time for the entire array but at fixed amplitude changes of their input, resulting optimally sparse in space and time-pixel individually and precisely timed only if new, (previously unknown) information is available (event based). This letter uses the high temporal resolution spiking output of neuromorphic event-based visual sensors to show that lowering time precision degrades performance on several recognition tasks specifically when reaching the conventional range of machine vision acquisition frequencies (30-60 Hz). The use of information theory to characterize separability between classes for each temporal resolution shows that high temporal acquisition provides up to 70% more information that conventional spikes generated from frame-based acquisition as used in standard artificial vision, thus drastically increasing the separability between classes of objects. Experiments on real data show that the amount of information loss is correlated with temporal precision. Our information-theoretic study highlights the potentials of neuromorphic asynchronous visual sensors for both practical applications and theoretical investigations. Moreover, it suggests that representing visual information as a precise sequence of spike times as reported in the retina offers considerable advantages for neuro-inspired visual computations.

Neuraminidase inhibitor R-125489 - A promising drug for treating influenza virus: Steered molecular dynamics approach

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

Mai, Binh Khanh; Li, Mai Suan, E-mail: masli@ifpan.edu.pl

2011-07-08

Highlights: {yields} We study binding affinity of R-125489 and its prodrug CS-8958 to neuraminidase of pathogenic influenza viruses by molecular dynamics simulations. {yields} It is shown that, in agreement with experiments, R-125489 binds to neuraminidase more tightly than CS-8958. {yields} We predict that R-125489 can be used to treat not only wild-type but also tamiflu-resistant N294S, H274Y variants of A/H5N1 virus. {yields} The high correlation between theoretical and experimental data implies that SMD is a very promising tool for drug design. -- Abstract: Two neuraminidase inhibitors, oseltamivir and zanamivir, are important drug treatments for influenza. Oseltamivir-resistant mutants of the influenzamore » virus A/H1N1 and A/H5N1 have emerged, necessitating the development of new long-acting antiviral agents. One such agent is a new neuraminidase inhibitor R-125489 and its prodrug CS-8958. An atomic level understanding of the nature of this antiviral agents binding is still missing. We address this gap in our knowledge by applying steered molecular dynamics (SMD) simulations to different subtypes of seasonal and highly pathogenic influenza viruses. We show that, in agreement with experiments, R-125489 binds to neuraminidase more tightly than CS-8958. Based on results obtained by SMD and the molecular mechanics-Poisson-Boltzmann surface area method, we predict that R-125489 can be used to treat not only wild-type but also tamiflu-resistant N294S, H274Y variants of A/H5N1 virus as its binding affinity does not vary much across these systems. The high correlation level between theoretically determined rupture forces and experimental data on binding energies for the large number of systems studied here implies that SMD is a promising tool for drug design.« less

Enhancing science education through extracurricular activities: A retrospective study of "Suzy Science and the Whiz Kids(c)"

NASA Astrophysics Data System (ADS)

Kralina, Linda M.

Extracurricular activities (ECA) are informal settings offering free-choice experiences that are generally voluntary, open-ended, non-sequential, self-directed, hands-on, and evaluation-free. This mixed methods study investigates participation in a high school science ECA by collecting the memories of former student members for their perceptions of engagement as well as social positioning. First, this study examines the levels in which the science club engaged these members, particularly females, in science and teaching. Second, the study also ascertains how participation in the club allowed members to explore new identities and fostered the development of new skills, actions and behaviors, expanding possible future trajectories of identification, specifically in science- and education-related career fields. Based on a review of the related literature regarding engagement and identity formation and the reconstructed reality from the memories of these students and sponsor, a theoretical framework has been constructed, based on seven essential elements of informal learning for an engaging as well as a socially constructive high school science ECA. The most significant findings are (1) the high correlation between engagement, specifically, cognitive engagement with social positioning, (2) the important role of emotional engagement in science ECA, (3) the major perception roadblocks to science learning that can be overcome, particularly for females in physical science, and (4) the importance of the teacher-student interactions in science ECA. Articulating a theoretical framework to legitimate the power of informal learning structures may help other educators to understand the potential benefits of science ECA and thus, increase opportunities for such experiential activities in order to enhance engagement and expand positioning of their students in science. More engaging, socially constructive science ECA have the potential to enhance science education.

Viscoelastic Response Of A Highly Filled Polymer

NASA Technical Reports Server (NTRS)

Peng, Steven T. J.; Landel, Robert F.

1992-01-01

Report describes experimental and theoretical studies of nonlinear viscoelastic response of elastomeric binder material filled with small particles of different material. Studies characterize response with sufficient accuracy for use in designing parts subjected to high strains.

Theoretical studies of charge transfer and proton transfer complex formation between 3,5-dinitrobenzic acid and 1,2-dimethylimidazole

NASA Astrophysics Data System (ADS)

Afroz, Ziya; Faizan, Mohd.; Alam, Mohammad Jane; Ahmad, Shabbir; Ahmad, Afaq

2018-05-01

Natural atomic charge analysis and molecular electrostatic potential (MEP) surface analysis of hydrogen bonded charge transfer (HBCT) and proton transfer (PT) complex of 3,5-dinitrobenzoic acid (DNBA) and 1,2-dimethylimidazole (DMI) have been investigated by theoretical modelling using widely employed DFT/B3LYP/6-311G(d,p) level of theory. Along with this analysis, Hirshfeld surface study of the intermolecular interactions and associated 2D finger plot for reported PT complex between DNBA and DMI have been explored.

Message sensation and cognition values: factors of competition or integration?

PubMed

Xu, Jie

2015-01-01

Using the Activation Model of Information Exposure and Elaboration Likelihood Model as theoretical frameworks, this study explored the effects of message sensation value (MSV) and message cognition value (MCV) of antismoking public service announcements (PSAs) on ad processing and evaluation among young adults, and the difference between high sensation seekers and low sensation seekers in their perceptions and responses toward ads with different levels of sensation and cognition value. A 2 (MSV: high vs. low) × 2 (MCV: high vs. low) × 2 (need for sensation: high vs. low) mixed experimental design was conducted. Two physiological measures including skin conductance and heart rate were examined. Findings of this study show that MSV was not a distraction but a facilitator of message persuasiveness. These findings contribute to the activation model. In addition, need for sensation moderated the interaction effect of MSV and MCV on ad processing. Low sensation seekers were more likely to experience the interaction between MSV and MCV than high sensation seekers. Several observations related to the findings and implications for antismoking message designs are elaborated. Limitations and directions for future research are also outlined.

A theoretical study on 3-(4-methoxyphenyl)-1-(pyridin-2-Yl) prop-2-en-1-one

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

Öner, Nazmiye, E-mail: fizikcinaz@gmail.com; Tamer, Ömer, E-mail: omertamer@sakarya.edu.tr; Avci, Davut, E-mail: davcir@sakarya.edu.tr

This study reports the geometric parameters, vibration frequencies, {sup 13}C and {sup 1}H NMR chemical shifts of 3-(4-Methoxyphenyl)-1-(pyridin-2-yl) prop-2-en-1-one (MPP) molecule calculated by B3LYP level of density functional theory (DFT) with 6-311++G(d,p) basis set. {sup 13}C and {sup 1}H NMR chemical shifts were calculated within GIAO approach which is one of the most common approaches. Additionally, 3D molecular surfaces such as molecular electrostatic potential (MEP) and electrostatic potential (ESP), were simulated by the same level. As a result, obtained theoretical results were found to be consistent with experimental ones. All of calculations were carried out Gaussian 09 package program.

When VSEPR Fails: Experimental and Theoretical Investigations of the Behavior of Alkaline-Earth-Metal Acetylides

PubMed Central

Guino-o, Marites A.; Alexander, Jacob S.; McKee, Michael L.; Hope, Håkon; Englich, Ulrich B.

2014-01-01

The synthesis, structural, and spectral characterization as well as a theoretical study of a family of alkaline-earth-metal acetylides provides insights into synthetic access and the structural and bonding characteristics of this group of highly reactive compounds. Based on our earlier communication that reported unusual geometry for a family of triphenylsilyl-substituted alkaline-earth-metal acetylides, we herein present our studies on an expanded family of target derivatives, providing experimental and theoretical data to offer new insights into the intensively debated theme of structural chemistry in heavy alkaline-earth-metal chemistry. PMID:19844925

Steady-state visual evoked potentials as a research tool in social affective neuroscience

PubMed Central

Wieser, Matthias J.; Miskovic, Vladimir; Keil, Andreas

2017-01-01

Like many other primates, humans place a high premium on social information transmission and processing. One important aspect of this information concerns the emotional state of other individuals, conveyed by distinct visual cues such as facial expressions, overt actions, or by cues extracted from the situational context. A rich body of theoretical and empirical work has demonstrated that these socio-emotional cues are processed by the human visual system in a prioritized fashion, in the service of optimizing social behavior. Furthermore, socio-emotional perception is highly dependent on situational contexts and previous experience. Here, we review current issues in this area of research and discuss the utility of the steady-state visual evoked potential (ssVEP) technique for addressing key empirical questions. Methodological advantages and caveats are discussed with particular regard to quantifying time-varying competition among multiple perceptual objects, trial-by-trial analysis of visual cortical activation, functional connectivity, and the control of low-level stimulus features. Studies on facial expression and emotional scene processing are summarized, with an emphasis on viewing faces and other social cues in emotional contexts, or when competing with each other. Further, because the ssVEP technique can be readily accommodated to studying the viewing of complex scenes with multiple elements, it enables researchers to advance theoretical models of socio-emotional perception, based on complex, quasi-naturalistic viewing situations. PMID:27699794

Modification on C217 by auxiliary acceptor toward efficient sensitiser for dye-sensitised solar cells: a theoretical study

NASA Astrophysics Data System (ADS)

Zhao, Caibin; Jin, Lingxia; Ge, Hongguang; Guo, Xiaohua; Zhang, Qiang; Wang, Wenliang

2018-02-01

In this work, to develop efficient organic dye sensitisers, a series of novel donor-acceptor-π-acceptor metal-free dyes were designed based on the C217 dye by means of modifying different auxiliary acceptors, and their photovoltaic performances were theoretically investigated with systematic density functional theory calculations coupled with the incoherent charge-hopping model. Results showed that the designed dyes possess lower highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) levels as well as narrower HOMO-LUMO gaps compared to C217, which indicate their higher light-harvesting efficiency. In addition, using the (TiO2)38 cluster and bidentate bridging model, we predicted that the photoelectric conversion efficiency (PCE) for the C217 dye is as high as 9.92% under air mass (AM) 1.5 illumination (100 mW.cm-2), which is in good agreement with its experimental value (9.60%-9.90%). More interestingly, the cell sensitised by the dye 7 designed in this work exhibits a middle-sized open-circuit voltage of 0.737 V, large short-circuit photocurrent density of 21.16 mAˑcm-2 and a fill factor of 0.801, corresponding to a quite high PCE of 12.49%, denoting the dye 7 is a more promising sensitiser candidate than the C217, and is worth further experimental study.

Quality Assessment of Internationalised Studies: Theory and Practice

ERIC Educational Resources Information Center

Juknyte-Petreikiene, Inga

2013-01-01

The article reviews forms of higher education internationalisation at an institutional level. The relevance of theoretical background of internationalised study quality assessment is highlighted and definitions of internationalised studies quality are presented. Existing methods of assessment of higher education internationalisation are criticised…

The Dark Side of Resilience and Burnout: A Moderation-Mediation Model

PubMed Central

Treglown, Luke; Palaiou, Kat; Zarola, Anthony; Furnham, Adrian

2016-01-01

This study tested whether specific dark-side traits may be beneficial in manifesting and maintaining Resilience, whilst others are vulnerability factors for Burnout. Four hundred and fifty-one (50 female) ambulance personnel completed three questionnaires as a part of a selection and development assessment. The study utilised the Hogan Development survey as a measure of dark side personality, the Copenhagen Burnout Inventory to assess work-related burnout, and the Resilience Scale– 14 to measure resilience levels. Those high on Excitable and Cautious but low on Bold and Reserved were linked to an increased vulnerability to Burnout. Also those high on Bold and Diligent yet low on the Excitable, Cautious, and Imaginative scales were more resilient. Structural Equation Modelling revealed that resilience plays both a mediating and moderating role on personality and burnout. Theoretical implications suggest future research assessing the predictive capacity of psychological variables on burnout should account the indirect effect of resilience. PMID:27336304

The Dark Side of Resilience and Burnout: A Moderation-Mediation Model.

PubMed

Treglown, Luke; Palaiou, Kat; Zarola, Anthony; Furnham, Adrian

2016-01-01

This study tested whether specific dark-side traits may be beneficial in manifesting and maintaining Resilience, whilst others are vulnerability factors for Burnout. Four hundred and fifty-one (50 female) ambulance personnel completed three questionnaires as a part of a selection and development assessment. The study utilised the Hogan Development survey as a measure of dark side personality, the Copenhagen Burnout Inventory to assess work-related burnout, and the Resilience Scale- 14 to measure resilience levels. Those high on Excitable and Cautious but low on Bold and Reserved were linked to an increased vulnerability to Burnout. Also those high on Bold and Diligent yet low on the Excitable, Cautious, and Imaginative scales were more resilient. Structural Equation Modelling revealed that resilience plays both a mediating and moderating role on personality and burnout. Theoretical implications suggest future research assessing the predictive capacity of psychological variables on burnout should account the indirect effect of resilience.

Effect of vacuum processing on outgassing within an orbiting molecular shield

NASA Technical Reports Server (NTRS)

Outlaw, R. A.

1982-01-01

The limiting hydrogen number density in an orbiting molecular shield is highly dependent on the outgassing rates from the materials of construction for the shield, experimental apparatus, and other hardware contained within the shield. Ordinary degassing temperatures used for ultrahigh vacuum studies (less than 450 C) are not sufficient to process metals so that the contribution to the number density within the shield due to outgassing is less than the theoretically attainable level (approximately 200 per cu. cm). Pure aluminum and type 347 stainless steel were studied as candidate shield materials. Measurements of their hydrogen concentration and diffusion coefficients were made, and the effects of high temperature vacuum processing (greater than 600 C) on their resulting outgassing rates was determined. The densities in a molecular shield due to the outgassing from either metal were substantially less ( 0.003) than the density due to the ambient atomic hydrogen flux at an orbital altitude of 500 km.

The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2015-12-14

Current efforts to characterize and study interstellar polycyclic aromatic hydrocarbons (PAHs) rely heavily on theoretically predicted infrared (IR) spectra. Generally, such studies use the scaled harmonic frequencies for band positions and double harmonic approximation for intensities of species, and then compare these calculated spectra with experimental spectra obtained under matrix isolation conditions. High-resolution gas-phase experimental spectroscopic studies have recently revealed that the double harmonic approximation is not sufficient for reliable spectra prediction. In this paper, we present the anharmonic theoretical spectra of three PAHs: naphthalene, anthracene, and tetracene, computed with a locally modified version of the SPECTRO program using Cartesian derivatives transformed from Gaussian 09 normal coordinate force constants. Proper treatments of Fermi resonances lead to an impressive improvement on the agreement between the observed and theoretical spectra, especially in the C-H stretching region. All major IR absorption features in the full-scale matrix-isolated spectra, the high-temperature gas-phase spectra, and the most recent high-resolution gas-phase spectra obtained under supersonically cooled molecular beam conditions in the CH-stretching region are assigned.

The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene

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

Mackie, Cameron J., E-mail: mackie@strw.leidenuniv.nl; Candian, Alessandra; Tielens, Alexander G. G. M.

2015-12-14

Current efforts to characterize and study interstellar polycyclic aromatic hydrocarbons (PAHs) rely heavily on theoretically predicted infrared (IR) spectra. Generally, such studies use the scaled harmonic frequencies for band positions and double harmonic approximation for intensities of species, and then compare these calculated spectra with experimental spectra obtained under matrix isolation conditions. High-resolution gas-phase experimental spectroscopic studies have recently revealed that the double harmonic approximation is not sufficient for reliable spectra prediction. In this paper, we present the anharmonic theoretical spectra of three PAHs: naphthalene, anthracene, and tetracene, computed with a locally modified version of the SPECTRO program using Cartesianmore » derivatives transformed from Gaussian 09 normal coordinate force constants. Proper treatments of Fermi resonances lead to an impressive improvement on the agreement between the observed and theoretical spectra, especially in the C–H stretching region. All major IR absorption features in the full-scale matrix-isolated spectra, the high-temperature gas-phase spectra, and the most recent high-resolution gas-phase spectra obtained under supersonically cooled molecular beam conditions in the CH-stretching region are assigned.« less

A Theoretically Based Behavioral Nutrition Intervention for Community Elders at High Risk: The B-NICE Randomized Controlled Clinical Trial

PubMed Central

LOCHER, JULIE L.; BALES, CONNIE W.; ELLIS, AMY C.; LAWRENCE, JEANNINE C.; NEWTON, LAURA; RITCHIE, CHRISTINE S.; ROTH, DAVID L.; BUYS, DAVID L.; VICKERS, KRISTIN S.

2012-01-01

We conducted a study designed to evaluate the efficacy and feasibility of a multilevel self-management intervention to improve nutritional intake in a group of older adults receiving Medicare home health services who were at especially high risk for experiencing undernutrition. The Behavioral Nutrition Intervention for Community Elders (B-NICE) trial used a prospective randomized controlled design to determine whether individually tailored counseling focused on social and behavioral aspects of eating resulted in increased caloric intake and improved nutrition-related health outcomes in a high-risk population of older adults. The study was guided by the theoretical approaches of the Ecological Model and Social Cognitive Theory. The development and implementation of the B-NICE protocol, including the theoretical framework, methodology, specific elements of the behavioral intervention, and assurances of the treatment fidelity, as well as the health policy implications of the trial results, are presented in this article. PMID:22098180

Theoretical Coalescence: A Method to Develop Qualitative Theory: The Example of Enduring.

PubMed

Morse, Janice M

Qualitative research is frequently context bound, lacks generalizability, and is limited in scope. The purpose of this article was to describe a method, theoretical coalescence, that provides a strategy for analyzing complex, high-level concepts and for developing generalizable theory. Theoretical coalescence is a method of theoretical expansion, inductive inquiry, of theory development, that uses data (rather than themes, categories, and published extracts of data) as the primary source for analysis. Here, using the development of the lay concept of enduring as an example, I explore the scientific development of the concept in multiple settings over many projects and link it within the Praxis Theory of Suffering. As comprehension emerges when conducting theoretical coalescence, it is essential that raw data from various different situations be available for reinterpretation/reanalysis and comparison to identify the essential features of the concept. The concept is then reconstructed, with additional inquiry that builds description, and evidence is conducted and conceptualized to create a more expansive concept and theory. By utilizing apparently diverse data sets from different contexts that are linked by certain characteristics, the essential features of the concept emerge. Such inquiry is divergent and less bound by context yet purposeful, logical, and with significant pragmatic implications for practice in nursing and beyond our discipline. Theoretical coalescence is a means by which qualitative inquiry is broadened to make an impact, to accommodate new theoretical shifts and concepts, and to make qualitative research applied and accessible in new ways.

Theoretical Coalescence: A Method to Develop Qualitative Theory

PubMed Central

Morse, Janice M.

2018-01-01

Background Qualitative research is frequently context bound, lacks generalizability, and is limited in scope. Objectives The purpose of this article was to describe a method, theoretical coalescence, that provides a strategy for analyzing complex, high-level concepts and for developing generalizable theory. Theoretical coalescence is a method of theoretical expansion, inductive inquiry, of theory development, that uses data (rather than themes, categories, and published extracts of data) as the primary source for analysis. Here, using the development of the lay concept of enduring as an example, I explore the scientific development of the concept in multiple settings over many projects and link it within the Praxis Theory of Suffering. Methods As comprehension emerges when conducting theoretical coalescence, it is essential that raw data from various different situations be available for reinterpretation/reanalysis and comparison to identify the essential features of the concept. The concept is then reconstructed, with additional inquiry that builds description, and evidence is conducted and conceptualized to create a more expansive concept and theory. Results By utilizing apparently diverse data sets from different contexts that are linked by certain characteristics, the essential features of the concept emerge. Such inquiry is divergent and less bound by context yet purposeful, logical, and with significant pragmatic implications for practice in nursing and beyond our discipline. Conclusion Theoretical coalescence is a means by which qualitative inquiry is broadened to make an impact, to accommodate new theoretical shifts and concepts, and to make qualitative research applied and accessible in new ways. PMID:29360688