Comparison of predicted and measured low-speed performance of two 51 centimeter-diameter inlets at incidence angle

NASA Technical Reports Server (NTRS)

Albers, J. A.

1973-01-01

Theoretical and experimental internal flow characteristics of two 51-cm-diameter inlets are compared. Theoretical flow characteristics along the inlet surface were obtained from an axisymmetric potential flow and boundary layer analysis. The experimental data were obtained from low-speed tests of a high-bypass-ratio turbofan engine simulator. Comparisons between calculated internal surface pressure distributions and experimental data are presented for a free-system velocity of 45 m/sec and for incidence angles from 0 deg to 50 deg. Analysis of boundary layer separation on the inlet lip at incidence angle is the major emphasis of this report. Theoretical boundary layer shape factors, skin friction coefficients, and velocity profiles in the boundary layer are presented, along with the location of the transition region. Theoretical and experimental separation locations are also discussed.

Au36(SePh)24 nanomolecules: synthesis, optical spectroscopy and theoretical analysis.

PubMed

Rambukwella, Milan; Chang, Le; Ravishanker, Anish; Fortunelli, Alessandro; Stener, Mauro; Dass, Amala

2018-05-16

Here, we report the synthesis of selenophenol (HSePh) protected Au36(SePh)24 nanomolecules via a ligand-exchange reaction of 4-tert-butylbenzenethiol (HSPh-tBu) protected Au36(SPh-tBu)24 with selenophenol, and its spectroscopic and theoretical analysis. Matrix assisted laser desorption ionization (MALDI) mass spectrometry, electrospray ionization (ESI) mass spectrometry and optical characterization confirm that the composition of the as synthesized product is predominantly Au36(SePh)24 nanomolecules. Size exclusion chromatography (SEC) was employed to isolate the Au36(SePh)24 and temperature dependent optical absorption studies and theoretical analysis were performed. Theoretically, an Independent Component Maps of Oscillator Strength (ICM-OS) analysis of simulated spectra shows that the enhancement in absorption intensity in Au36(SePh)24 with respect to Au36(SPh)24 can be ascribed to the absence of interference and/or increased long-range coupling between interband metal core and ligand excitations. This work demonstrates and helps to understand the effect of Au-Se bridging on the properties of gold nanomolecules.

NOAA/DOE CWP structural analysis package. [CWPFLY, CWPEXT, COTEC, and XOTEC codes

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

Pompa, J.A.; Lunz, D.F.

1979-09-01

The theoretical development and computer code user's manual for analysis of the Ocean Thermal Energy Conversion (OTEC) plant cold water pipe (CWP) are presented. The analysis of the CWP includes coupled platform/CWP loadngs and dynamic responses. This report with the exception of the Introduction and Appendix F was orginally published as Hydronautics, Inc., Technical Report No. 7825-2 (by Barr, Chang, and Thasanatorn) in November 1978. A detailed theoretical development of the equations describing the coupled platform/CWP system and preliminary validation efforts are described. The appendices encompass a complete user's manual, describing the inputs, outputs and operation of the four componentmore » programs, and detail changes and updates implemented since the original release of the code by Hydronautics. The code itself is available through NOAA's Office of Ocean Technology and Engineering Services.« less

The Human Factors Analysis and Classification System : HFACS : final report.

DOT National Transportation Integrated Search

2000-02-01

Human error has been implicated in 70 to 80% of all civil and military aviation accidents. Yet, most accident reporting systems are not designed around any theoretical framework of human error. As a result, most accident databases are not conducive t...

Theoretical Noise Analysis on a Position-sensitive Metallic Magnetic Calorimeter

NASA Technical Reports Server (NTRS)

Smith, Stephen J.

2007-01-01

We report on the theoretical noise analysis for a position-sensitive Metallic Magnetic Calorimeter (MMC), consisting of MMC read-out at both ends of a large X-ray absorber. Such devices are under consideration as alternatives to other cryogenic technologies for future X-ray astronomy missions. We use a finite-element model (FEM) to numerically calculate the signal and noise response at the detector outputs and investigate the correlations between the noise measured at each MMC coupled by the absorber. We then calculate, using the optimal filter concept, the theoretical energy and position resolution across the detector and discuss the trade-offs involved in optimizing the detector design for energy resolution, position resolution and count rate. The results show, theoretically, the position-sensitive MMC concept offers impressive spectral and spatial resolving capabilities compared to pixel arrays and similar position-sensitive cryogenic technologies using Transition Edge Sensor (TES) read-out.

Vector wind profile gust model

NASA Technical Reports Server (NTRS)

Adelfang, S. I.

1979-01-01

Work towards establishing a vector wind profile gust model for the Space Transportation System flight operations and trade studies is reported. To date, all the statistical and computational techniques required were established and partially implemented. An analysis of wind profile gust at Cape Kennedy within the theoretical framework is presented. The variability of theoretical and observed gust magnitude with filter type, altitude, and season is described. Various examples are presented which illustrate agreement between theoretical and observed gust percentiles. The preliminary analysis of the gust data indicates a strong variability with altitude, season, and wavelength regime. An extension of the analyses to include conditional distributions of gust magnitude given gust length, distributions of gust modulus, and phase differences between gust components has begun.

Suggestions for presenting the results of data analyses

USGS Publications Warehouse

Anderson, David R.; Link, William A.; Johnson, Douglas H.; Burnham, Kenneth P.

2001-01-01

We give suggestions for the presentation of research results from frequentist, information-theoretic, and Bayesian analysis paradigms, followed by several general suggestions. The information-theoretic and Bayesian methods offer alternative approaches to data analysis and inference compared to traditionally used methods. Guidance is lacking on the presentation of results under these alternative procedures and on nontesting aspects of classical frequentists methods of statistical analysis. Null hypothesis testing has come under intense criticism. We recommend less reporting of the results of statistical tests of null hypotheses in cases where the null is surely false anyway, or where the null hypothesis is of little interest to science or management.

Analysis of Relational Communication in Dyads: New Measurement Procedures.

ERIC Educational Resources Information Center

Rogers, L. Edna; Farace, Richard

Relational communication refers to the control or dominance aspects of message exchange in dyads--distinguishing it from the report or referential aspects of communication. In relational communicational analysis, messages as transactions are emphasized; major theoretical concepts which emerge are symmetry, transitoriness, and complementarity of…

Experimental Verification of the Theory of Wind-Tunnel Boundary Interference

NASA Technical Reports Server (NTRS)

Theodorsen, Theodore; Silverstein, Abe

1935-01-01

The results of an experimental investigation on the boundary-correction factor are presented in this report. The values of the boundary-correction factor from the theory, which at the present time is virtually completed, are given in the report for all conventional types of tunnels. With the isolation of certain disturbing effects, the experimental boundary-correction factor was found to be in satisfactory agreement with the theoretically predicted values, thus verifying the soundness and sufficiency of the theoretical analysis. The establishment of a considerable velocity distortion, in the nature of a unique blocking effect, constitutes a principal result of the investigation.

Evolutionary conceptual analysis: faith community nursing.

PubMed

Ziebarth, Deborah

2014-12-01

The aim of the study was to report an evolutionary concept analysis of faith community nursing (FCN). FCN is a source of healthcare delivery in the USA which has grown in comprehensiveness and complexity. With increasing healthcare cost and a focus on access and prevention, FCN has extended beyond the physical walls of the faith community building. Faith communities and healthcare organizations invest in FCN and standardized training programs exist. Using Rodgers' evolutionary analysis, the literature was examined for antecedents, attributes, and consequences of the concept. This design allows for understanding the historical and social nature of the concept and how it changes over time. A search of databases using the keywords FCN, faith community nurse, parish nursing, and parish nurse was done. The concept of FCN was explored using research and theoretical literature. A theoretical definition and model were developed with relevant implications. The search results netted a sample of 124 reports of research and theoretical articles from multiple disciplines: medicine, education, religion and philosophy, international health, and nursing. Theoretical definition: FCN is a method of healthcare delivery that is centered in a relationship between the nurse and client (client as person, family, group, or community). The relationship occurs in an iterative motion over time when the client seeks or is targeted for wholistic health care with the goal of optimal wholistic health functioning. Faith integrating is a continuous occurring attribute. Health promoting, disease managing, coordinating, empowering and accessing health care are other essential attributes. All essential attributes occur with intentionality in a faith community, home, health institution and other community settings with fluidity as part of a community, national, or global health initiative. A new theoretical definition and corresponding conceptual model of FCN provides a basis for future nursing knowledge and model-based applications for evidence-based practice and research.

Multimodal Genre Systems in EAP Writing Pedagogy: Reflecting on a Needs Analysis

ERIC Educational Resources Information Center

Molle, Daniella; Prior, Paul

2008-01-01

This article reports on a genre-based needs analysis for a graduate course in English for academic purposes (EAP) at a large public U.S. university. In particular, it describes the theoretical reconceptualizations of genre analysis that the data provoked. Using ethnographic methods, an investigation of academic genres in several classrooms in…

The Intercultural Component in Textbooks for Teaching a Service Technical Writing Course

ERIC Educational Resources Information Center

Matveeva, Natalia

2007-01-01

This research article investigates new developments in the representation of the intercultural component in textbooks for a service technical writing course. Through textual analysis, using quantitative and qualitative techniques, I report discourse analysis of 15 technical writing textbooks published during 1993-2006. The theoretical and…

Graph Theoretical Analysis, In Silico Modeling, Synthesis, Anti-Microbial and Anti-TB Evaluation of Novel Quinoxaline Derivatives.

PubMed

Saravanan, Govindaraj; Selvam, Theivendren Panneer; Alagarsamy, Veerachamy; Kunjiappan, Selvaraj; Joshi, Shrinivas D; Indhumathy, Murugan; Kumar, Pandurangan Dinesh

2018-05-01

We designed to synthesize a number of 2-(2-(substituted benzylidene) hydrazinyl)-N-(4-((3-(phenyl imino)-3,4-dihydro quinoxalin-2(1 H)-ylidene)amino) phenyl) acetamide S1-S13: with the hope to obtain more active and less toxic anti-microbial and anti-TB agents. A series of novel quinoxaline Schiff bases S1-S13: were synthesized from o-phenylenediamine and oxalic acid by a multistep synthesis. In present work, we are introducing graph theoretical analysis to identify drug target. In the connection of graph theoretical analysis, we utilised KEGG database and Cytoscape software. All the title compounds were evaluated for their in-vitro anti-microbial activity by using agar well diffusion method at three different concentration levels (50, 100 and 150 µg/ml). The MIC of the compounds was also determined by agar streak dilution method. The identified study report through graph theoretical analysis were highlights that the key virulence factor for pathogenic mycobacteria is a eukaryotic-like serine/threonine protein kinase, termed PknG. All compounds were found to display significant activity against entire tested bacteria and fungi. In addition the synthesized scaffolds were screened for their in vitro antituberculosis (anti-TB) activity against Mycobacterium tuberculosis (Mtb) strain H 37 Ra using standard drug Rifampicin. A number of analogs found markedly potent anti-microbial and anti-TB activity. The relationship between the functional group variation and the biological activity of the evaluated compounds were well discussed. The observed study report was showing that the compound S6: (4-nitro substitution) exhibited most potent effective anti-microbial and anti-TB activity out of various tested compounds. © Georg Thieme Verlag KG Stuttgart · New York.

Composition and Comprehension of Simple Texts. Final Report.

ERIC Educational Resources Information Center

Olson, Gary M.

This report describes research that focused on the comprehension and composition of simple texts. The first section reviews the overall goals and theoretical perspectives of the project. The second section describes the following studies carried out during the project: analysis and extension of prior thinking-out-loud (TOL) data, TOL and reading…

Studies in Leading and Organizing Schools. A Volume in Research and Theory in Educational Administration.

ERIC Educational Resources Information Center

Hoy, Wayne, Ed.; Miskel, Cecil, Ed.

This collection of research reports is intended to advance the understanding of schools through empirical study and theoretical analysis. The reports are as follows: "The Punctuated Equilibrium of National Reading Policy: Literacy's Changing Images and Venues" (Celia Sims and Cecil Miskel); "Productive Campus Leadership Responses to…

Investigation on coupling error characteristics in angular rate matching based ship deformation measurement approach

NASA Astrophysics Data System (ADS)

Yang, Shuai; Wu, Wei; Wang, Xingshu; Xu, Zhiguang

2018-01-01

The coupling error in the measurement of ship hull deformation can significantly influence the attitude accuracy of the shipborne weapons and equipments. It is therefore important to study the characteristics of the coupling error. In this paper, an comprehensive investigation on the coupling error is reported, which has a potential of deducting the coupling error in the future. Firstly, the causes and characteristics of the coupling error are analyzed theoretically based on the basic theory of measuring ship deformation. Then, simulations are conducted for verifying the correctness of the theoretical analysis. Simulation results show that the cross-correlation between dynamic flexure and ship angular motion leads to the coupling error in measuring ship deformation, and coupling error increases with the correlation value between them. All the simulation results coincide with the theoretical analysis.

Prediction Of Critical Crack Sizes In Solar Cells

NASA Technical Reports Server (NTRS)

Chen, Chern P.

1989-01-01

Report presents theoretical analysis of cracking in Si and GaAs solar photovoltaic cells subjected to bending or twisting. Analysis also extended to predict critical sizes for cracks in Ge substrate coated with thin film of GaAs. Analysis leads to general conclusions. Approach and results of study useful in development of guidelines for acceptance or rejection of slightly flawed cells during manufacture.

Jones matrix formulation of a Porro prism laser resonator with waveplates: theoretical and experimental analysis

NASA Astrophysics Data System (ADS)

Agrawal, L.; Bhardwaj, A.; Pal, S.; Kumar, A.

2007-11-01

This article presents the results of a detailed theoretical and experimental analysis carried out on a folded Z-shaped polarization coupled, electro-optically Q-switched laser resonator with Porro prisms and waveplates. The advantages of adding waveplates in a Porro prism resonator have been explored for creating high loss condition prior to Q-switching and obtaining variable reflectivity with fixed orientation of Porro prism. Generalized expressions have been derived in terms of azimuth angles and phase shifts introduced by the polarizing elements. These expressions corroborate with known reported results under appropriate substitutions. A specific case of a crossed Porro prism diode-pumped Nd:YAG laser has been theoretically and experimentally investigated. In the feedback arm, a 0.57λ waveplate oriented at 135° completely compensates the phase shift of a fused silica Porro prism and provides better tolerances than a BK-7 prism/0.60λ waveplate combination to stop prelasing. The fused silica prism/0.57λ combination with waveplate at 112° acts like a 100% mirror and was utilized for optimization of free running performance. The effective reflectivity was determined for various orientations of the quarter waveplate in the gain arm to numerically estimate the Q-switched laser pulse parameters through rate equation analysis. Experimental results match well with the theoretical analysis.

Sharing Resources In Mobile/Satellite Communications

NASA Technical Reports Server (NTRS)

Yan, Tsun-Yee; Sue, Miles K.

1992-01-01

Report presents preliminary theoretical analysis of several alternative schemes for allocation of satellite resource among terrestrial subscribers of landmobile/satellite communication system. Demand-access and random-access approaches under code-division and frequency-division concepts compared.

Signal Analysis for Aerosat.

DOT National Transportation Integrated Search

1972-08-01

The report addresses signal design for the AEROSAT system. Candidate data and surveillance modems are analyzed for L-Band avionics. Detailed theoretical analyses are presented of the effects of the oceanic satellite-aircraft channel on data modem per...

"A Smile I Could Not Explain": Educational Impact of an International Residency

ERIC Educational Resources Information Center

Evans, Shari D.; Yi, Charlie; Baker, Blossom B.; Crowley, Eugene; King, Debbie S.; Korinek, Adam W.; Reinsch, N. Lamar

2015-01-01

This article reports a discourse analysis of journals from adult learners during a 1-week residency in Cape Town, South Africa. The theoretical posture is a critical dialogic perspective, making use of a postcolonial understanding of intercultural interactions. The purpose of the study was exploratory. The analysis suggests that demographic…

Talbot self-imaging phenomenon under Bessel beam illumination

NASA Astrophysics Data System (ADS)

Chakraborty, Rijuparna; Chowdhury, Subhajit Dutta; Chakraborty, Ajoy Kumar

2018-06-01

In this paper, we report the results of our theoretical studies on the phenomenon of self-imaging of periodic object under the illumination of zero-order Bessel beam. Our theoretical analysis indicates that the self-images are visible only after the walk-off distance of the Bessel beam used. It is also observed that the self-images bend around the optical axis of the setup. Besides, the present study justifies the importance of the conditions stipulated by Montgomery.

Comparing the application of two theoretical frameworks to describe determinants of adverse medical device event reporting: secondary analysis of qualitative interview data.

PubMed

Desveaux, Laura; Gagliardi, Anna R

2018-06-04

Post-market surveillance of medical devices is reliant on physician reporting of adverse medical device events (AMDEs). Few studies have examined factors that influence whether and how physicians report AMDEs, an essential step in the development of behaviour change interventions. This study was a secondary analysis comparing application of the Theoretical Domains Framework (TDF) and the Tailored Implementation for Chronic Diseases (TICD) framework to identify potential behaviour change interventions that correspond to determinants of AMDE reporting. A previous study involving qualitative interviews with Canadian physicians that implant medical devices identified themes reflecting AMDE reporting determinants. In this secondary analysis, themes that emerged from the primary analysis were independently mapped to the TDF and TICD. Determinants and corresponding intervention options arising from both frameworks (and both mappers) were compared. Both theoretical frameworks were useful for identifying interventions corresponding to behavioural determinants of AMDE reporting. Information or education strategies that provide evidence about AMDEs, and audit and feedback of AMDE data were identified as interventions to target the theme of physician beliefs; improving information systems, and reminder cues, prompts and awards were identified as interventions to address determinants arising from the organization or systems themes; and modifying financial/non-financial incentives and sharing data on outcomes associated with AMDEs were identified as interventions to target device market themes. Numerous operational challenges were encountered in the application of both frameworks including a lack of clarity about how directly relevant to themes the domains/determinants should be, how many domains/determinants to select, if and how to resolve discrepancies across multiple mappers, and how to choose interventions from among the large number associated with selected domains/determinants. Given discrepancies in mapping themes to determinants/domains and the resulting interventions offered by the two frameworks, uncertainty remains about how to choose interventions that best match behavioural determinants in a given context. Further research is needed to provide more nuanced guidance on the application of TDF and TICD for a broader audience, which is likely to increase the utility and uptake of these frameworks in practice.

Predicting excitonic gaps of semiconducting single-walled carbon nanotubes from a field theoretic analysis

DOE PAGES

Konik, Robert M.; Sfeir, Matthew Y.; Misewich, James A.

2015-02-17

We demonstrate that a non-perturbative framework for the treatment of the excitations of single walled carbon nanotubes based upon a field theoretic reduction is able to accurately describe experiment observations of the absolute values of excitonic energies. This theoretical framework yields a simple scaling function from which the excitonic energies can be read off. This scaling function is primarily determined by a single parameter, the charge Luttinger parameter of the tube, which is in turn a function of the tube chirality, dielectric environment, and the tube's dimensions, thus expressing disparate influences on the excitonic energies in a unified fashion. Asmore » a result, we test this theory explicitly on the data reported in [NanoLetters 5, 2314 (2005)] and [Phys. Rev. B 82, 195424 (2010)] and so demonstrate the method works over a wide range of reported excitonic spectra.« less

An evaluation of the treatment of risk and uncertainties in the IPCC reports on climate change.

PubMed

Aven, Terje; Renn, Ortwin

2015-04-01

Few global threats rival global climate change in scale and potential consequence. The principal international authority assessing climate risk is the Intergovernmental Panel on Climate Change (IPCC). Through repeated assessments the IPCC has devoted considerable effort and interdisciplinary competence to articulating a common characterization of climate risk and uncertainties. We have reviewed the assessment and its foundation for the Fifth Assessment Reports published in 2013 and 2014, in particular the guidance note for lead authors of the fifth IPCC assessment report on consistent treatment of uncertainties. Our analysis shows that the work carried out by the ICPP is short of providing a theoretically and conceptually convincing foundation on the treatment of risk and uncertainties. The main reasons for our assessment are: (i) the concept of risk is given a too narrow definition (a function of consequences and probability/likelihood); and (ii) the reports lack precision in delineating their concepts and methods. The goal of this article is to contribute to improving the handling of uncertainty and risk in future IPCC studies, thereby obtaining a more theoretically substantiated characterization as well as enhanced scientific quality for risk analysis in this area. Several suggestions for how to improve the risk and uncertainty treatment are provided. © 2014 Society for Risk Analysis.

Theoretical insights of proton transfer and hydrogen bonded charge transfer complex of 1,2-dimethylimidazolium-3,5-dinitrobenzoate crystal

NASA Astrophysics Data System (ADS)

Afroz, Ziya; Faizan, Mohd.; Alam, Mohammad Jane; Ahmad, Shabbir; Ahmad, Afaq

2018-04-01

Proton transfer (PT) and hydrogen bonded charge transfer (HBCT) 1:1 complex of 1,2-dimethylimidazole (DMI) and 3,5-dinitrobenzoic acid (DNBA) have been theoretically analyzed and compared with reported experimental results. Both the structures in the isolated gaseous state have been optimized at DFT/B3LYP/6-311G(d,p) level of theory and further, the PT energy barrier has been calculated from potential energy surface scan. Along with structural investigations, theoretical vibrational spectra have been inspected and compared with the FTIR spectrum. Moreover, frontier molecular analysis has also been carried out.

Crystal Structure and Theoretical Analysis of Green Gold Au 30 (S- t Bu) 18 Nanomolecules and Their Relation to Au 30 S(S- t Bu) 18

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

Dass, Amala; Jones, Tanya; Rambukwella, Milan

We report the complete X-ray crystallographic structure as determined through single crystal X-ray diffraction and a thorough theoretical analysis of the green gold Au30(S-tBu)18. While the structure of Au30S(S-tBu)18 with 19 sulfur atoms has been reported, the crystal structure of Au30(S-tBu)18 without the μ3-sulfur has remained elusive until now, though matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) and electrospray ionization mass spectrometry (ESI-MS) data unequivocally shows its presence in abundance. The Au30(S-tBu)18 nanomolecule is not only distinct in its crystal structure but has unique temperature dependent optical properties. Structure determination allows a rigorous comparison and an excellent agreement with theoreticalmore » predictions of structure, stability, and optical response.« less

A Theoretical Framework for Defense Acquisition Analysis

DTIC Science & Technology

1989-09-01

Carnegie Reports on this issue discuss the need further. Being imaginative in business means having the ability to visualize systematic...Curriculum in Business and Public Administration," Negotiation Journal, 2: 191-204. (April 1987). 15. Cheney, Dick. Defense Management Report to the...Framework, Framework I and Framework II ....... .................. 105 13. Typical Perspective of an American Business Organization

Classifying Academically At-Risk First Graders into Engagement Types: Association with Long-Term Achievement Trajectories

ERIC Educational Resources Information Center

Luo, Wen; Hughes, Jan N.; Liew, Jeffrey; Kwok, Oiman

2009-01-01

Based on a sample of 480 academically at-risk first graders, we used a cluster analysis involving multimethod assessment (i.e., teacher-report, peer-evaluation, and self-report) of behavioral and psychological engagement to identify subtypes of academic engagement. Four theoretically and practically meaningful clusters were identified and labeled…

Fertility Determinants: A Theory, Evidence, and an Application to Policy Evaluation.

ERIC Educational Resources Information Center

Schultz, T. Paul

This report surveys the first generation of theoretical and empirical research on the determinants of parent "demand" for children. A large fraction of this literature was first published as Rand reports and papers. The pragmatic question discussed here is the strengths and shortcomings of the state of the art in economic analysis of…

Research in space physics at the University of Iowa

NASA Technical Reports Server (NTRS)

Vanallen, J. A.

1972-01-01

The research is reported for current projects. Topics discussed include: study and analysis of data from Explorer 40, 43, and small scientific satellites; and the planned missions for Helios, UK-4, Pioneer R and H, and Hawkeye satellites. The progress in the theoretical studies of electron density of the solar corona, spectrophotometry, and interferometry are also reported.

Point source detection in infrared astronomical surveys

NASA Technical Reports Server (NTRS)

Pelzmann, R. F., Jr.

1977-01-01

Data processing techniques useful for infrared astronomy data analysis systems are reported. This investigation is restricted to consideration of data from space-based telescope systems operating as survey instruments. In this report the theoretical background for specific point-source detection schemes is completed, and the development of specific algorithms and software for the broad range of requirements is begun.

Access to Vocational Training in Three Sectors of the European Economy. Comparative Analysis. 2nd Edition. CEDEFOP Panorama.

ERIC Educational Resources Information Center

Lassibille, Gerard; Paul, Jean-Jacques

This report presents findings of a study of the theoretical and practical methods of access to continuing vocational training. It summarizes six reports that compare the following: the construction sector in Spain, France, Italy, and Luxembourg; the banking, insurance, commerce, and administration sectors in Germany, Ireland, the Netherlands, and…

Computational control of flexible aerospace systems

NASA Technical Reports Server (NTRS)

Sharpe, Lonnie, Jr.; Shen, Ji Yao

1994-01-01

The main objective of this project is to establish a distributed parameter modeling technique for structural analysis, parameter estimation, vibration suppression and control synthesis of large flexible aerospace structures. This report concentrates on the research outputs produced in the last two years. The main accomplishments can be summarized as follows. A new version of the PDEMOD Code had been completed based on several incomplete versions. The verification of the code had been conducted by comparing the results with those examples for which the exact theoretical solutions can be obtained. The theoretical background of the package and the verification examples has been reported in a technical paper submitted to the Joint Applied Mechanics & Material Conference, ASME. A brief USER'S MANUAL had been compiled, which includes three parts: (1) Input data preparation; (2) Explanation of the Subroutines; and (3) Specification of control variables. Meanwhile, a theoretical investigation of the NASA MSFC two-dimensional ground-based manipulator facility by using distributed parameter modeling technique has been conducted. A new mathematical treatment for dynamic analysis and control of large flexible manipulator systems has been conceived, which may provide an embryonic form of a more sophisticated mathematical model for future modified versions of the PDEMOD Codes.

Quality factor analysis for aberrated laser beam

NASA Astrophysics Data System (ADS)

Ghafary, B.; Alavynejad, M.; Kashani, F. D.

2006-12-01

The quality factor of laser beams has attracted considerable attention and some different approaches have been reported to treat the problem. In this paper we analyze quality factor of laser beam and compare the effect of different aberrations on beam quality by expanding pure phase term of wavefront in terms of Zernike polynomials. Also we analyze experimentally the change of beam quality for different Astigmatism aberrations, and compare theoretical results with experimentally results. The experimental and theoretical results are in good agreement.

A preliminary analysis of the data from experiment 77-13 and final report on glass fining experiments in zero gravity

NASA Technical Reports Server (NTRS)

Wilcox, W. R.; Subramanian, R. S.; Meyyappan, M.; Smith, H. D.; Mattox, D. M.; Partlow, D. P.

1981-01-01

Thermal fining, thermal migration of bubbles under reduced gravity conditions, and data to verify current theoretical models of bubble location and temperatures as a function of time are discussed. A sample, sodium borate glass, was tested during 5 to 6 minutes of zero gravity during rocket flight. The test cell contained a heater strip; thermocouples were in the sample. At present quantitative data are insufficient to confirm results of theoretical calculations.

A theoretical/experimental program to develop active optical pollution sensors

NASA Technical Reports Server (NTRS)

Mills, F. S.; Blais, R. N.; Kindle, E. C.

1977-01-01

Light detection and ranging (LIDAR) technology was applied to the assessment of air quality, and its usefulness was evaluated by actual field tests. Necessary hardware was successfully constructed and operated in the field. Measurements of necessary physical parameters, such as SO2 absorption coefficients were successfully completed and theoretical predictions of differential absorption performance were reported. Plume modeling improvements were proposed. A full scale field test of equipment, data analysis and auxiliary data support was conducted in Maryland during September 1976.

Processable English: The Theory Behind the PENG System

DTIC Science & Technology

2009-06-01

implicit - is often buried amongst masses of irrelevant data. Heralding from unstructured sources such as natural language documents, email, audio ...estimation and prediction, data-mining, social network analysis, and semantic search and visualisation . This report describes the theoretical

Human factors analysis and classification system-HFACS.

DOT National Transportation Integrated Search

2000-02-01

Human error has been implicated in 70 to 80% of all civil and military aviation accidents. Yet, most accident : reporting systems are not designed around any theoretical framework of human error. As a result, most : accident databases are not conduci...

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.

Thrust imbalance of solid rocket motor pairs on Space Shuttle flights

NASA Technical Reports Server (NTRS)

Foster, W. A., Jr.; Shu, P. H.; Sforzini, R. H.

1986-01-01

This analysis extends the investigation presented at the 17th Joint Propulsion Conference in 1981 to include fifteen sets of Space Shuttle flight data. The previous report dealt only with static test data and the first flight pair. The objective is to compare the authors' previous theoretical analysis of thrust imbalance with actual Space Shuttle performance. The theoretical prediction method, which involves a Monte Carlo technique, is reviewed briefly as are salient features of the flight instrumentation system and the statistical analysis. A scheme for smoothing flight data is discussed. The effects of changes in design parameters are discussed with special emphasis on the filament wound motor case being developed to replace the steel case. Good agreement between the predictions and the flight data is demonstrated.

Theoretical Studies in Chemical Kinetics - Annual Report, 1970.

DOE R&D Accomplishments Database

Karplus, Martin

1970-10-01

The research performed includes (a) Alkali-Halide, Alkali-Halide (MX, M?X?) Exchange Reactions; (b) Inversion Problem; (c) Quantum Mechanics of Scattering Processes, (d) Transition State Analysis of Classical Trajectories, (e) Differential Cross Sections from Classical Trajectories; and (f) Other Studies.

Human factors phase IV : risk analysis tool for new train control technology.

DOT National Transportation Integrated Search

2005-01-31

This report covers the theoretical development of the safety state model for railroad operations. Using data from a train control technology experiment, experimental application of the model is demonstrated. A stochastic model of system behavior is d...

Human factors phase IV : risk analysis tool for new train control technology

DOT National Transportation Integrated Search

2005-01-01

This report covers the theoretical development of the safety state model for railroad operations. Using data from a train control technology experiment, experimental application of the model is demonstrated. A stochastic model of system behavior is d...

How fast is fisheries-induced evolution? Quantitative analysis of modelling and empirical studies

PubMed Central

Audzijonyte, Asta; Kuparinen, Anna; Fulton, Elizabeth A

2013-01-01

A number of theoretical models, experimental studies and time-series studies of wild fish have explored the presence and magnitude of fisheries-induced evolution (FIE). While most studies agree that FIE is likely to be happening in many fished stocks, there are disagreements about its rates and implications for stock viability. To address these disagreements in a quantitative manner, we conducted a meta-analysis of FIE rates reported in theoretical and empirical studies. We discovered that rates of phenotypic change observed in wild fish are about four times higher than the evolutionary rates reported in modelling studies, but correlation between the rate of change and instantaneous fishing mortality (F) was very similar in the two types of studies. Mixed-model analyses showed that in the modelling studies traits associated with reproductive investment and growth evolved slower than rates related to maturation. In empirical observations age-at-maturation was changing faster than other life-history traits. We also found that, despite different assumption and modelling approaches, rates of evolution for a given F value reported in 10 of 13 modelling studies were not significantly different. PMID:23789026

Modeling of rolling element bearing mechanics. Computer program user's manual

NASA Technical Reports Server (NTRS)

Greenhill, Lyn M.; Merchant, David H.

1994-01-01

This report provides the user's manual for the Rolling Element Bearing Analysis System (REBANS) analysis code which determines the quasistatic response to external loads or displacement of three types of high-speed rolling element bearings: angular contact ball bearings, duplex angular contact ball bearings, and cylindrical roller bearings. The model includes the defects of bearing ring and support structure flexibility. It is comprised of two main programs: the Preprocessor for Bearing Analysis (PREBAN) which creates the input files for the main analysis program, and Flexibility Enhanced Rolling Element Bearing Analysis (FEREBA), the main analysis program. This report addresses input instructions for and features of the computer codes. A companion report addresses the theoretical basis for the computer codes. REBANS extends the capabilities of the SHABERTH (Shaft and Bearing Thermal Analysis) code to include race and housing flexibility, including such effects as dead band and preload springs.

Notes on numerical reliability of several statistical analysis programs

USGS Publications Warehouse

Landwehr, J.M.; Tasker, Gary D.

1999-01-01

This report presents a benchmark analysis of several statistical analysis programs currently in use in the USGS. The benchmark consists of a comparison between the values provided by a statistical analysis program for variables in the reference data set ANASTY and their known or calculated theoretical values. The ANASTY data set is an amendment of the Wilkinson NASTY data set that has been used in the statistical literature to assess the reliability (computational correctness) of calculated analytical results.

Trace Analysis and Spatial Reasoning: An Example of Intensive Cognitive Diagnosis and Its Implications for Testing. September 1987. Technical Report.

ERIC Educational Resources Information Center

Ohlsson, Stellan

Recent theoretical developments in cognitive psychology imply both a need and a possibility for methodological development. In particular, the theory of problem solving proposed by Allen Newell and Herbert A. Simon (1972) provides the rationale for a new empirical method for the processing of think-aloud protocols--trace analysis. A detailed…

A study of hydrocarbons associated with brines from DOE geopressured wells. Final report

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

Keeley, D.F.

1993-07-01

Accomplishments are summarized on the following tasks: distribution coefficients and solubilities, DOE design well sampling, analysis of well samples, review of theoretical models of geopressured reservoir hydrocarbons, monitor for aliphatic hydrocarbons, development of a ph meter probe, DOE design well scrubber analysis, removal and disposition of gas scrubber equipment at Pleasant Bayou Well, and disposition of archived brines.

"I Know Down to My Ribs": A Narrative Research Study on the Embodied Adult Learning of Creative Writers

ERIC Educational Resources Information Center

Tobin, Jennifer A.; Tisdell, Elizabeth J.

2015-01-01

This article reports the findings of a qualitative study that used narrative analysis to explore the role of embodied learning in the writing processes of creative writers. From a theoretical framework that draws on Merleau-Ponty's philosophy of the body, Gendlin's concepts of felt sense and focusing, and Jordi's analysis of reflection for…

A Theory of Dark Network Design

DTIC Science & Technology

2010-12-01

Theoretical Framework for Analysis.” Master’s Thesis, Naval Postgraduate School, 1996 . de Nooy, Wouter, Andrej Mrvar , and Vladimir Batagelj ...understanding the nature of relationships in networks. Wouter de Nooy, Andrej Mrvar and Vladimir Batagelj , Exploratory Social Network Analysis with Pajek...34 RAND Corporation, 1996 , http://www.rand.org/pubs/monograph_reports/MR789/ (accessed November 5, 2009) and John Arquilla and David Ronfeldt

Identifying Return-Current Losses in Flare Hard X-ray Spectra

NASA Technical Reports Server (NTRS)

Holman, Gordon D.

2011-01-01

I will report on theoretical studies and a data analysis program aimed at identifying and physically interpreting breaks in hard X-ray spectra resulting from return-current energy losses, as well as heating of the flare plasma resulting from these losses.

Neutron die-away experiment for remote analysis of the surface of the moon and the planets, phase 3

NASA Technical Reports Server (NTRS)

Mills, W. R.; Allen, L. S.

1972-01-01

Continuing work on the two die-away measurements proposed to be made in the combined pulsed neutron experiment (CPNE) for analysis of lunar and planetary surfaces is described. This report documents research done during Phase 3. A general exposition of data analysis by the least-squares method and the related problem of the prediction of variance is given. A data analysis procedure for epithermal die-away data has been formulated. In order to facilitate the analysis, the number of independent material variables has been reduced to two: the hydrogen density and an effective oxygen density, the latter being determined uniquely from the nonhydrogeneous elemental composition. Justification for this reduction in the number of variables is based on a set of 27 new theoretical calculations. Work is described related to experimental calibration of the epithermal die-away measurement. An interim data analysis technique based solely on theoretical calculations seems to be adequate and will be used for future CPNE field tests.

Evaluation of the Analysis Influence on Transport in Reanalysis Regional Water Cycles

NASA Technical Reports Server (NTRS)

Bosilovich, M. G.; Chen, J.; Robertson, F. R.

2011-01-01

Regional water cycles of reanalyses do not follow theoretical assumptions applicable to pure simulated budgets. The data analysis changes the wind, temperature and moisture, perturbing the theoretical balance. Of course, the analysis is correcting the model forecast error, so that the state fields should be more aligned with observations. Recently, it has been reported that the moisture convergence over continental regions, even those with significant quantities of radiosonde profiles present, can produce long term values not consistent with theoretical bounds. Specifically, long averages over continents produce some regions of moisture divergence. This implies that the observational analysis leads to a source of water in the region. One such region is the Unite States Great Plains, which many radiosonde and lidar wind observations are assimilated. We will utilize a new ancillary data set from the MERRA reanalysis called the Gridded Innovations and Observations (GIO) which provides the assimilated observations on MERRA's native grid allowing more thorough consideration of their impact on regional and global climatology. Included with the GIO data are the observation minus forecast (OmF) and observation minus analysis (OmA). Using OmF and OmA, we can identify the bias of the analysis against each observing system and gain a better understanding of the observations that are controlling the regional analysis. In this study we will focus on the wind and moisture assimilation.

Fundamental studies in geodynamics

NASA Technical Reports Server (NTRS)

Anderson, D. L.; Hager, B. H.; Kanamori, H.

1981-01-01

Research in fundamental studies in geodynamics continued in a number of fields including seismic observations and analysis, synthesis of geochemical data, theoretical investigation of geoid anomalies, extensive numerical experiments in a number of geodynamical contexts, and a new field seismic volcanology. Summaries of work in progress or completed during this report period are given. Abstracts of publications submitted from work in progress during this report period are attached as an appendix.

Charged particle and magnetic field research in space

NASA Technical Reports Server (NTRS)

1972-01-01

Research completed and in progress is described, related publications and reports are listed, and abstracts of papers and talks on results of the research are given. The charged particle research centered on OGO-5 and OGO-6 electron spectrometer data, and theoretical radiation belt studies. Work on the ATS-1 magnetometer project included development of production data reduction programs, development of spectral analysis procedures, and scientific studies of ULF waves at synchronous orbit. The magnetic fields research also included work on the Mariner project and theoretical studies on the solar wind.

Strategic analysis for safeguards systems: a feasibility study. Volume 2. Appendix

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

Goldman, A J

1984-12-01

This appendix provides detailed information regarding game theory (strategic analysis) and its potential role in safeguards to supplement the main body of this report. In particualr, it includes an extensive, though not comprehensive review of literature on game theory and on other topics that relate to the formulation of a game-theoretic model (e.g. the payoff functions). The appendix describes the basic form and components of game theory models, and the solvability of various models. It then discusses three basic issues related to the use of strategic analysis in material accounting: (1) its understandability; (2) its viability in regulatory settings; andmore » (3) difficulties in the use of mixed strategies. Each of the components of a game theoretic model are then discussed and related to the present context.« less

Safety of High Speed Magnetic Levitation Transportation Systems : Thermal Effects and Related Safety Issues of Typical Maglev Steel Guideways

DOT National Transportation Integrated Search

1994-09-01

This report presents a theoretical analysis predicting the temperature distribution, thermal deflections, and thermal stresses that may occur in typical steel Maglev guideways under the proposed Orlando FL thermal environment. Transient, finite eleme...

Gesellschaft fuer angewandte Mathematik und Mechanik, Scientific Annual Meeting, Universitaet Stuttgart, Federal Republic of Germany, Apr. 13-17, 1987, Reports

NASA Astrophysics Data System (ADS)

Recent experimental, theoretical, and numerical investigations of problems in applied mechanics are discussed in reviews and reports. The fields covered include vibration and stability; the mechanics of elastic and plastic materials; fluid mechanics; the numerical treatment of differential equations; finite and boundary elements; optimization, decision theory, stochastics, and actuarial analysis; applied analysis and mathematical physics; and numerical analysis. Reviews are presented on mathematical applications of geometric-optics methods, biomechanics and implant technology, vibration theory in engineering, the stiffness and strength of damaged materials, and the existence of slow steady flows of viscoelastic fluids of integral type.

Theoretical evaluation of the vapor compression cycle with a liquid-line/suction-line heat exchanger, economizer, and ejector

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

Domanski, P.A.

1995-03-01

The report presents a theoretical analysis of three vapor compression cycles which are derived from the Rankine cycle by incorporating a liquid-line/suction-line heat exchanger, economizer, or ejector. These addendums to the basic cycle reduce throttling losses using different principles, and they require different mechanical hardware of different complexity and cost. The theoretical merits of the three modified cycles were evaluated in relation to the reversed Carnot and Rankine cycle. Thirty-eight fluids were included in the study using the Carnahan-Starling-DeSantis equation of state. In general, the benefit of these addendums increases with the amount of the throttling losses realized by themore » refrigerant in the Rankine cycle.« less

Theoretical analysis for the specific heat and thermal parameters of solid C60

NASA Astrophysics Data System (ADS)

Soto, J. R.; Calles, A.; Castro, J. J.

1997-08-01

We present the results of a theoretical analysis for the thermal parameters and phonon contribution to the specific heat in solid C60. The phonon contribution to the specific heat is calculated through the solution of the corresponding dynamical matrix, for different points in the Brillouin zone, and the construccion of the partial and generalized phonon density of states. The force constants are obtained from a first principle calculation, using a SCF Hartree-Fock wave function from the Gaussian 92 program. The thermal parameters reported are the effective temperatures and vibrational amplitudes as a function of temperature. Using this model we present a parametization scheme in order to reproduce the general behaviour of the experimental specific heat for these materials.

Comparing two self-report measures of coping--the Sense of Coherence Scale and the Defense Style Questionnaire.

PubMed

Sammallahti, P R; Holi, M J; Komulainen, E J; Aalberg, V A

1996-09-01

Antonovsky's Sense of Coherence Scale (SOC) and Bond's Defense Style Questionnaire (DSQ) were compared in a sample of 334 community controls and 122 psychiatric outpatients. The major question was, whether the two coping inventories with different theoretical backgrounds-stress research vs. psycho-analysis-tap similar phenomena. The affinity of the two coping measures was evident: in multiple regression analysis defenses explained 68% of the variance in sense of coherence. Not surprisingly, the SOC scale-emerging out of the salutogenic orientation-showed more expertise in measuring how people manage when they do well, whereas the DSQ-with its theoretical roots deep in psychopathology-was most sensitive to how people manage when they do rather poorly.

Experimental and theoretical characterization of an AC electroosmotic micromixer.

PubMed

Sasaki, Naoki; Kitamori, Takehiko; Kim, Haeng-Boo

2010-01-01

We have reported on a novel microfluidic mixer based on AC electroosmosis. To elucidate the mixer characteristics, we performed detailed measurements of mixing under various experimental conditions including applied voltage, frequency and solution viscosity. The results are discussed through comparison with results obtained from a theoretical model of AC electroosmosis. As predicted from the theoretical model, we found that a larger voltage (approximately 20 V(p-p)) led to more rapid mixing, while the dependence of the mixing on frequency (1-5 kHz) was insignificant under the present experimental conditions. Furthermore, the dependence of the mixing on viscosity was successfully explained by the theoretical model, and the applicability of the mixer in viscous solution (2.83 mPa s) was confirmed experimentally. By using these results, it is possible to estimate the mixing performance under given conditions. These estimations can provide guidelines for using the mixer in microfluidic chemical analysis.

Perinatal Bereavement: A Principle-based Concept Analysis

PubMed Central

FENSTERMACHER, Kimberly; HUPCEY, Judith E.

2013-01-01

Aim This paper is a report of an analysis of the concept of perinatal bereavement. Background The concept of perinatal bereavement emerged in the scientific literature during the 1970s. Perinatal bereavement is a practice based concept, although it is not well defined in the scientific literature and is often intermingled with the concepts of mourning and grief. Design Concept Analysis. Data Sources Using the term ‘perinatal bereavement’ and limits of only English and human, Pub Med and CINAHL were searched to yield 278 available references dating from 1974 – 2011. Articles specific to the experience of perinatal bereavement were reviewed. The final data set was 143 articles. Review Methods The methods of principle-based concept analysis were used. Results reveal conceptual components (antecedents, attributes and outcomes) which are delineated to create a theoretical definition of perinatal bereavement. Results The concept is epistemologically immature, with few explicit definitions to describe the phenomenon. Inconsistency in conceptual meaning threatens the construct validity of measurement tools for perinatal bereavement and contributes to incongruent theoretical definitions. This has implications for both nursing science (how the concept is studied and theoretically integrated) and clinical practice (timing and delivery of support interventions). Conclusions Perinatal bereavement is a multifaceted global phenomenon that follows perinatal loss. Lack of conceptual clarity and lack of a clearly articulated conceptual definition impede the synthesis and translation of research findings into practice. A theoretical definition of perinatal bereavement is offered as a platform for researchers to advance the concept through research and theory development. PMID:23458030

Analysis of Drop Oscillations Excited by an Electrical Point Force in AC EWOD

NASA Astrophysics Data System (ADS)

Oh, Jung Min; Ko, Sung Hee; Kang, Kwan Hyoung

2008-03-01

Recently, a few researchers have reported the oscillation of a sessile drop in AC EWOD (electrowetting on dielectrics), and some of its consequences. The drop oscillation problem in AC EWOD is associated with various applications based on electrowetting such as LOC (lab-on-a-chip), liquid lens, and electronic display. However, no theoretical analysis of the problem has been attempted yet. In the present paper, we propose a theoretical model to analyze the oscillation by applying the conventional method to analyze the drop oscillation. The domain perturbation method is used to derive the shape mode equations under the assumptions of weak viscous flow and small deformation. The Maxwell stress is exerted on the three-phase contact line of the droplet like a point force. The force is regarded as a delta function, and is decomposed into the driving forces of each shape mode. The theoretical results on the shape and the frequency responses are compared with experiments, which shows a qualitative agreement.

An experimental and theoretical investigation into the electronically excited states of para-benzoquinone

NASA Astrophysics Data System (ADS)

Jones, D. B.; Limão-Vieira, P.; Mendes, M.; Jones, N. C.; Hoffmann, S. V.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Blanco, F.; García, G.; Ingólfsson, O.; Lima, M. A. P.; Brunger, M. J.

2017-05-01

We report on a combination of experimental and theoretical investigations into the structure of electronically excited para-benzoquinone (pBQ). Here synchrotron photoabsorption measurements are reported over the 4.0-10.8 eV range. The higher resolution obtained reveals previously unresolved pBQ spectral features. Time-dependent density functional theory calculations are used to interpret the spectrum and resolve discrepancies relating to the interpretation of the Rydberg progressions. Electron-impact energy loss experiments are also reported. These are combined with elastic electron scattering cross section calculations performed within the framework of the independent atom model-screening corrected additivity rule plus interference (IAM-SCAR + I) method to derive differential cross sections for electronic excitation of key spectral bands. A generalized oscillator strength analysis is also performed, with the obtained results demonstrating that a cohesive and reliable quantum chemical structure and cross section framework has been established. Within this context, we also discuss some issues associated with the development of a minimal orbital basis for the single configuration interaction strategy to be used for our high-level low-energy electron scattering calculations that will be carried out as a subsequent step in this joint experimental and theoretical investigation.

Characterization of 1,5-dimethoxynaphthalene by vibrational spectroscopy (FT-IR and FT-Raman) and density functional theory calculations.

PubMed

Kandasamy, M; Velraj, G; Kalaichelvan, S; Mariappan, G

2015-01-05

In this work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and natural bond orbital (NBO) analysis of 1,5-dimethoxynaphthalene. The optimized molecular structure, atomic charges, vibrational frequencies and natural bond orbital analysis of 1,5-dimethoxynaphthalene have been studied by performing DFT/B3LYP/6-31G(d,p) level of theory. The FTIR, FT-Raman spectra were recorded in the region of 4000-400 cm(-1) and 3500-50 cm(-1) respectively. The scaled wavenumbers are compared with the experimental values. The difference between the observed and scaled wavenumber values of the most fundamentals is very small. The formation of hydrogen bond was investigated in terms of the charge density by the NBO analysis. Natural Population Analysis (NPA) was used for charge determination in the title molecule. Besides, molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis were investigated using theoretical calculations. Copyright © 2014 Elsevier B.V. All rights reserved.

New accurate theoretical line lists of 12CH4 and 13CH4 in the 0-13400 cm-1 range: Application to the modeling of methane absorption in Titan's atmosphere

NASA Astrophysics Data System (ADS)

Rey, Michaël; Nikitin, Andrei V.; Bézard, Bruno; Rannou, Pascal; Coustenis, Athena; Tyuterev, Vladimir G.

2018-03-01

The spectrum of methane is very important for the analysis and modeling of Titan's atmosphere but its insufficient knowledge in the near infrared, with the absence of reliable absorption coefficients, is an important limitation. In order to help the astronomer community for analyzing high-quality spectra, we report in the present work the first accurate theoretical methane line lists (T = 50-350 K) of 12CH4 and 13CH4 up to 13400 cm-1 ( > 0.75 μm). These lists are built from extensive variational calculations using our recent ab initio potential and dipole moment surfaces and will be freely accessible via the TheoReTS information system (http://theorets.univ-reims.fr, http://theorets.tsu.ru). Validation of these lists is presented throughout the present paper. For the sample of lines where upper energies were available from published analyses of experimental laboratory 12CH4 spectra, small empirical corrections in positions were introduced that could be useful for future high-resolution applications. We finally apply the TheoRetS line list to model Titan spectra as observed by VIMS and by DISR, respectively onboard Cassini and Huygens. These data are used to check that the TheoReTS line lists are able to model observations. We also make comparisons with other experimental or theoretical line lists. It appears that TheoRetS gives very reliable results better than ExoMol and even than HITRAN2012, except around 1.6 μm where it gives very similar results. We conclude that TheoReTS is suitable to be used for the modeling of planetary radiative transfer and photometry. A re-analysis of spectra recorded by the DISR instrument during the descent of the Huygens probe suggests that the CH4 mixing ratio decreases with altitude in Titan's stratosphere, reaching a value of ∼10-2 above the 110 km altitude.

Psychodrama Research-Therapy and Theory: A Critical Analysis of an Arrested Modality.

ERIC Educational Resources Information Center

D'Amato, Rik Carl; Dean, Raymond S.

1988-01-01

Reviewed both theoretical foundation and therapeutic implications of psychodrama, therapy using theatrical principles as clients act out problems. Used social psychological and psychodramatic perspectives to evaluate psychodrama research in areas of therapeutic strategies, case illustration reports, and controlled research. Results suggest need…

Are Effective Counselors Made or Born? A Critical Review.

ERIC Educational Resources Information Center

DeCsipkes, Robert A.; And Others

The purpose of this review was to investigate the relationship between counselor characteristics and reports of effectiveness. The theoretical position appears to focus on two opposing views. The humanists emphasize the influence of intuition, genuineness, and spontaneity, while the behaviorists place importance on technique, analysis of…

School Readiness Factor Analyzed.

ERIC Educational Resources Information Center

Brenner, Anton; Scott, Leland H.

This paper is an empirical statistical analysis and interpretation of data relating to school readiness previously examined and reported on a theoretical basis. A total of 118 white, middle class children from six consecutive kindergarten groups in Dearborn, Michigan were tested with seven instruments, evaluated in terms of achievement, ability,…

The reporting of theoretical health risks by the media: Canadian newspaper reporting of potential blood transmission of Creutzfeldt-Jakob disease

PubMed Central

Wilson, Kumanan; Code, Catherine; Dornan, Christopher; Ahmad, Nadya; Hébert, Paul; Graham, Ian

2004-01-01

Background The media play an important role at the interface of science and policy by communicating scientific information to the public and policy makers. In issues of theoretical risk, in which there is scientific uncertainty, the media's role as disseminators of information is particularly important due to the potential to influence public perception of the severity of the risk. In this article we describe how the Canadian print media reported the theoretical risk of blood transmission of Creutzfeldt-Jakob disease (CJD). Methods We searched 3 newspaper databases for articles published by 6 major Canadian daily newspapers between January 1990 and December 1999. We identified all articles relating to blood transmission of CJD. In duplicate we extracted information from the articles and entered the information into a qualitative software program. We compared the observations obtained from this content analysis with information obtained from a previous policy analysis examining the Canadian blood system's decision-making concerning the potential transfusion transmission of CJD. Results Our search identified 245 relevant articles. We observed that newspapers in one instance accelerated a policy decision, which had important resource and health implication, by communicating information on risk to the public. We also observed that newspapers primarily relied upon expert opinion (47 articles) as opposed to published medical evidence (28 articles) when communicating risk information. Journalists we interviewed described the challenges of balancing their responsibility to raise awareness of potential health threats with not unnecessarily arousing fear amongst the public. Conclusions Based on our findings we recommend that journalists report information from both expert opinion sources and from published studies when communicating information on risk. We also recommend researchers work more closely with journalists to assist them in identifying and appraising relevant scientific information on risk. PMID:14706119

GAT: a graph-theoretical analysis toolbox for analyzing between-group differences in large-scale structural and functional brain networks.

PubMed

Hosseini, S M Hadi; Hoeft, Fumiko; Kesler, Shelli R

2012-01-01

In recent years, graph theoretical analyses of neuroimaging data have increased our understanding of the organization of large-scale structural and functional brain networks. However, tools for pipeline application of graph theory for analyzing topology of brain networks is still lacking. In this report, we describe the development of a graph-analysis toolbox (GAT) that facilitates analysis and comparison of structural and functional network brain networks. GAT provides a graphical user interface (GUI) that facilitates construction and analysis of brain networks, comparison of regional and global topological properties between networks, analysis of network hub and modules, and analysis of resilience of the networks to random failure and targeted attacks. Area under a curve (AUC) and functional data analyses (FDA), in conjunction with permutation testing, is employed for testing the differences in network topologies; analyses that are less sensitive to the thresholding process. We demonstrated the capabilities of GAT by investigating the differences in the organization of regional gray-matter correlation networks in survivors of acute lymphoblastic leukemia (ALL) and healthy matched Controls (CON). The results revealed an alteration in small-world characteristics of the brain networks in the ALL survivors; an observation that confirm our hypothesis suggesting widespread neurobiological injury in ALL survivors. Along with demonstration of the capabilities of the GAT, this is the first report of altered large-scale structural brain networks in ALL survivors.

CPE--A New Perspective: The Impact of the Technology Revolution. Proceedings of the Computer Performance Evaluation Users Group Meeting (19th, San Francisco, California, October 25-28, 1983). Final Report. Reports on Computer Science and Technology.

ERIC Educational Resources Information Center

Mobray, Deborah, Ed.

Papers on local area networks (LANs), modelling techniques, software improvement, capacity planning, software engineering, microcomputers and end user computing, cost accounting and chargeback, configuration and performance management, and benchmarking presented at this conference include: (1) "Theoretical Performance Analysis of Virtual…

Applications of Graph-Theoretic Tests to Online Change Detection

DTIC Science & Technology

2014-05-09

NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) AND ADDRESS(ES) 8. PERFORMING ORGANIZATION REPORT ...assessment, crime investigation, and environmental field analysis. Our work offers a new tool for change detection that can be employed in real- time in very...this paper such MSTs and bipartite matchings. Ruth (2009) reports run times for MNBM ensembles created using Derigs’ (1998) algorithm on the order of

An Idealized Cognitive Model Analysis of Metaphors in American Economic News Report

NASA Astrophysics Data System (ADS)

Qin, Yang

2018-03-01

On the basis of the theoretical framework of Lakoff’s Conceptual Metaphor, the paper researches into the cognitive model of conceptual metaphors in American Economic News Reports. Moreover, the paper tries to analyze economic discourse by the application of Idealized Cognitive Model of its metaphorical thinking combined with cultural model and reflect the ideology of the media. It aims to help English learners ponder the implied meaning the economic news reports conveyed and take a new look at metaphors between the lines.

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.

What are the 'active ingredients' of interventions targeting the public's engagement with antimicrobial resistance and how might they work?

PubMed

McParland, Joanna L; Williams, Lynn; Gozdzielewska, Lucyna; Young, Mairi; Smith, Fraser; MacDonald, Jennifer; Langdridge, Darren; Davis, Mark; Price, Lesley; Flowers, Paul

2018-05-27

Changing public awareness of antimicrobial resistance (AMR) represents a global public health priority. A systematic review of interventions that targeted public AMR awareness and associated behaviour was previously conducted. Here, we focus on identifying the active content of these interventions and explore potential mechanisms of action. The project took a novel approach to intervention mapping utilizing the following steps: (1) an exploration of explicit and tacit theory and theoretical constructs within the interventions using the Theoretical Domains Framework (TDFv2), (2) retrospective coding of behaviour change techniques (BCTs) using the BCT Taxonomy v1, and (3) an investigation of coherent links between the TDF domains and BCTs across the interventions. Of 20 studies included, only four reported an explicit theoretical basis to their intervention. However, TDF analysis revealed that nine of the 14 TDF domains were utilized, most commonly 'Knowledge' and 'Environmental context and resources'. The BCT analysis showed that all interventions contained at least one BCT, and 14 of 93 (15%) BCTs were coded, most commonly 'Information about health consequences', 'Credible source', and 'Instruction on how to perform the behaviour'. We identified nine relevant TDF domains and 14 BCTs used in these interventions. Only 15% of BCTs have been applied in AMR interventions thus providing a clear opportunity for the development of novel interventions in this context. This methodological approach provides a useful way of retrospectively mapping theoretical constructs and BCTs when reviewing studies that provide limited information on theory and intervention content. Statement of contribution What is already known on this subject? Evidence of the effectiveness of interventions that target the public to engage them with AMR is mixed; the public continue to show poor knowledge and misperceptions of AMR. Little is known about the common, active ingredients of AMR interventions targeting the public and information on explicit theoretical content is sparse. Information on the components of AMR public health interventions is urgently needed to enable the design of effective interventions to engage the public with AMR stewardship behaviour. What does this study add? The analysis shows very few studies reported any explicit theoretical basis to the interventions they described. Many interventions share common components, including core mechanisms of action and behaviour change techniques. The analysis suggests components of future interventions to engage the public with AMR. © 2018 The Authors. British Journal of Health Psychology published by John Wiley & Sons Ltd on behalf of British Psychological Society.

SEACAS Theory Manuals: Part III. Finite Element Analysis in Nonlinear Solid Mechanics

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

Laursen, T.A.; Attaway, S.W.; Zadoks, R.I.

1999-03-01

This report outlines the application of finite element methodology to large deformation solid mechanics problems, detailing also some of the key technological issues that effective finite element formulations must address. The presentation is organized into three major portions: first, a discussion of finite element discretization from the global point of view, emphasizing the relationship between a virtual work principle and the associated fully discrete system, second, a discussion of finite element technology, emphasizing the important theoretical and practical features associated with an individual finite element; and third, detailed description of specific elements that enjoy widespread use, providing some examples ofmore » the theoretical ideas already described. Descriptions of problem formulation in nonlinear solid mechanics, nonlinear continuum mechanics, and constitutive modeling are given in three companion reports.« less

An effectiveness analysis of healthcare systems using a systems theoretic approach.

PubMed

Chuang, Sheuwen; Inder, Kerry

2009-10-24

The use of accreditation and quality measurement and reporting to improve healthcare quality and patient safety has been widespread across many countries. A review of the literature reveals no association between the accreditation system and the quality measurement and reporting systems, even when hospital compliance with these systems is satisfactory. Improvement of health care outcomes needs to be based on an appreciation of the whole system that contributes to those outcomes. The research literature currently lacks an appropriate analysis and is fragmented among activities. This paper aims to propose an integrated research model of these two systems and to demonstrate the usefulness of the resulting model for strategic research planning. To achieve these aims, a systematic integration of the healthcare accreditation and quality measurement/reporting systems is structured hierarchically. A holistic systems relationship model of the administration segment is developed to act as an investigation framework. A literature-based empirical study is used to validate the proposed relationships derived from the model. Australian experiences are used as evidence for the system effectiveness analysis and design base for an adaptive-control study proposal to show the usefulness of the system model for guiding strategic research. Three basic relationships were revealed and validated from the research literature. The systemic weaknesses of the accreditation system and quality measurement/reporting system from a system flow perspective were examined. The approach provides a system thinking structure to assist the design of quality improvement strategies. The proposed model discovers a fourth implicit relationship, a feedback between quality performance reporting components and choice of accreditation components that is likely to play an important role in health care outcomes. An example involving accreditation surveyors is developed that provides a systematic search for improving the impact of accreditation on quality of care and hence on the accreditation/performance correlation. There is clear value in developing a theoretical systems approach to achieving quality in health care. The introduction of the systematic surveyor-based search for improvements creates an adaptive-control system to optimize health care quality. It is hoped that these outcomes will stimulate further research in the development of strategic planning using systems theoretic approach for the improvement of quality in health care.

Recognition of Emotions in Autism: A Formal Meta-Analysis

ERIC Educational Resources Information Center

Uljarevic, Mirko; Hamilton, Antonia

2013-01-01

Determining the integrity of emotion recognition in autistic spectrum disorder is important to our theoretical understanding of autism and to teaching social skills. Previous studies have reported both positive and negative results. Here, we take a formal meta-analytic approach, bringing together data from 48 papers testing over 980 participants…

Students' Appropriation, Rejection and Perceptions of Creativity in Reflective Journals

ERIC Educational Resources Information Center

O'Connell, Timothy S.; Dyment, Janet E.; Smith, Heidi A.

2015-01-01

This paper explores the intersection of reflection, journal writing and creativity. Undergraduate students who participated in a residential field camp were required to keep a creative reflective journal to demonstrate their theoretical and practical understandings of their experience. This study reports on the content analysis of 42 student…

Asteroidal and planetary analysis

NASA Technical Reports Server (NTRS)

Hartmann, W. K.

1975-01-01

Photometric, spectrophotometric, and radiometric investigations of asteroids and planets are reported. Profiles of the planetary disk were used to study the physical structure of the Uranus atmosphere, and thermal and photographic properties of Saturn rings were theoretically modelled. Ground-based Mars observations were made for long-term comparison with Mariner 9 results.

Multiphase Complete Exchange: A Theoretical Analysis

DTIC Science & Technology

1993-08-01

Birkhiuser, Boston, 1984. 24 [9] C-T. Ho and M. T. Raghunath . Efficient communication primitives on hy- percubes. In Proc. 6th. DMCC, pages 390-397...1991. [10] C-T. Ho and M. T. Raghunath . Efficient communication primitives on hy- percubes. Technical Report RJ 7932 (72915), IBM, T. J. Watson Center

Practitioner Inquiry with Early Program Teacher Candidates

ERIC Educational Resources Information Center

Koomen, Michele Hollingsworth

2016-01-01

This meta-analysis reports on the use of practitioner inquiry (PI) with early program teacher candidates in conjunction with elementary science and math methods courses using cognitive load theory as a theoretical framework. The findings suggest that the teacher candidates enhanced their knowledge of practice within practice across 5 dimensions of…

Curricular Change: A Model for Analysis.

ERIC Educational Resources Information Center

Axelrod, Joseph

This interim report on 1 project at the Berkeley Center for Research and Development in Higher Education deals with the construction of a theoretical model of the curricular-instructional subsystem. The relationship between student unrest and the poor quality of education in American colleges has long been evident to educational researchers. The…

Enigmatic photon absorption in plasmas near solar interior conditions

NASA Astrophysics Data System (ADS)

Iglesias, Carlos A.

2015-06-01

Large systematic discrepancies between theoretical and experimental photon absorption of Fe plasmas applicable to the solar interior were reported [Bailey et al., Nature 517, 56 (2015)]. The disagreement is examined in the context of the Thomas-Reiche-Kuhn f-sum rule. The analysis identifies several anomalies in the experimental results.

A Model of Economics Learning in the High Schools.

ERIC Educational Resources Information Center

Walstad, William B.; Soper, John C.

1982-01-01

Reports the results of a study that evaluated the impact of the Developmental Economic Education Project (DEEP) and the International Paper Company (IPCF) awards program for teaching economics on high school student cognitive and affective outcomes. A description of the theoretical model used for the analysis is included. (AM)

Learning from Programmed Instruction: Examining Implications for Modern Instructional Technology

ERIC Educational Resources Information Center

McDonald, Jason K.; Yanchar, Stephen C.; Osguthorpe, Russell T.

2005-01-01

This article reports a theoretical examination of several parallels between contemporary instructional technology (as manifest in one of its most current manifestations, online learning) and one of its direct predecessors, programmed instruction. We place particular focus on the underlying assumptions of the two movements. Our analysis suggests…

Salem Community College's 1999-2002 Strategic Plan Authoring & Implementation Strategy.

ERIC Educational Resources Information Center

Salem Community Coll., Penns Grove, NJ.

This document outlines the Strategic Planning Initiative (SPI) for New Jersey's Salem Community College. This is the first plan the college has authored in seven years. The report provides a theoretical framework for heterarchical planning, which allows for complexity and interrelations of structural analysis, and lateral decision making. The…

Au133(SPh-tBu)52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis

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

Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy

2015-04-15

Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the “nanostructure problem”. Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au133(SPh-tBu)52, was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than inmore » the slightly larger Au144(SCH2CH2Ph)60. Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.« less

Au 133 (SPh - t Bu) 52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis

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

Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy

2015-04-15

Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the "nanostructure problem". Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au-133(SPh-tBu)(52), was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than inmore » the slightly larger Au-144(SCH2CH2Ph)(60). Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.« less

Au133(SPh-tBu)52 nanomolecules: X-ray crystallography, optical, electrochemical, and theoretical analysis.

PubMed

Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy; Kumara, Chanaka; Jupally, Vijay Reddy; Fortunelli, Alessandro; Sementa, Luca; Barcaro, Giovanni; Zuo, Xiaobing; Noll, Bruce C

2015-04-15

Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the "nanostructure problem". Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au133(SPh-tBu)52, was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than in the slightly larger Au144(SCH2CH2Ph)60. Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.

Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazole

NASA Astrophysics Data System (ADS)

Sarau Devi, A.; Aswathy, V. V.; Sheena Mary, Y.; Yohannan Panicker, C.; Armaković, Stevan; Armaković, Sanja J.; Ravindran, Reena; Van Alsenoy, C.

2017-11-01

The vibrational spectra and corresponding vibrational assignments of 2-(3-methoxy-4-hydroxyphenyl)benzothiazole is reported. Single crystal XRD data of the title compound is reported and the orientation of methoxy group is cis to nitrogen atom of the thiazole ring. The phenyl ring breathing modes of the title compound are assigned at 1042 and 731 cm-1 theoretically. The charge transfer within the molecule is studied using frontier molecular orbital analysis. The chemical reactivity descriptors are calculated theoretically. The NMR spectral data predicted theoretically are in good agreement with the experimental data. The strong negative region spread over the phenyl rings, nitrogen atom and oxygen atom of the hydroxyl group in the MEP plot is due to the immense conjugative and hyper conjugative resonance charge delocalization of π-electrons. Molecule sites prone to electrophilic attacks have been determined by analysis of ALIE surfaces, while Fukui functions provided further insight into the local reactivity properties of title molecule. Autoxidation properties have been investigated by calculation of bond dissociation energies (BDEs) of hydrogen abstraction, while BDEs of the rest of the single acyclic bonds were valuable for the further investigation of degradation properties. Calculation of radial distribution functions was performed in order to determine which atoms of the title molecule have pronounced interactions with water molecules. The title compound forms a stable complex with aryl hydrocarbon receptor and can be a lead compound for developing new anti-tumor drug. Antimicrobial properties of the title compound was screened against one bacterial culture Escherchia coli and four fungal cultures viz., Aspergillus niger, Pencillum chrysogenum, Saccharomyces cerevisiae and Rhyzopus stolonifer.

Rayleigh-Taylor mixing in supernova experiments

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

Swisher, N. C.; Abarzhi, S. I., E-mail: snezhana.abarzhi@gmail.com; Kuranz, C. C.

We report a scrupulous analysis of data in supernova experiments that are conducted at high power laser facilities in order to study core-collapse supernova SN1987A. Parameters of the experimental system are properly scaled to investigate the interaction of a blast-wave with helium-hydrogen interface, and the induced Rayleigh-Taylor instability and Rayleigh-Taylor mixing of the denser and lighter fluids with time-dependent acceleration. We analyze all available experimental images of the Rayleigh-Taylor flow in supernova experiments and measure delicate features of the interfacial dynamics. A new scaling is identified for calibration of experimental data to enable their accurate analysis and comparisons. By properlymore » accounting for the imprint of the experimental conditions, the data set size and statistics are substantially increased. New theoretical solutions are reported to describe asymptotic dynamics of Rayleigh-Taylor flow with time-dependent acceleration by applying theoretical analysis that considers symmetries and momentum transport. Good qualitative and quantitative agreement is achieved of the experimental data with the theory and simulations. Our study indicates that in supernova experiments Rayleigh-Taylor flow is in the mixing regime, the interface amplitude contributes substantially to the characteristic length scale for energy dissipation; Rayleigh-Taylor mixing keeps order.« less

Working together versus working autonomously: a new power-dependence perspective on the individual-level of analysis.

PubMed

de Jong, Simon B

2014-01-01

Recent studies have indicated that it is important to investigate the interaction between task interdependence and task autonomy because this interaction can affect team effectiveness. However, only a limited number of studies have been conducted and those studies focused solely on the team level of analysis. Moreover, there has also been a dearth of theoretical development. Therefore, this study develops and tests an alternative theoretical perspective in an attempt to understand if, and if so why, this interaction is important at the individual level of analysis. Based on interdependence theory and power-dependence theory, we expected that highly task-interdependent individuals who reported high task autonomy would be more powerful and better performers. In contrast, we expected that similarly high task-interdependent individuals who reported less task autonomy would be less powerful and would be weaker performers. These expectations were supported by multi-level and bootstrapping analyses performed on a multi-source dataset (self-, peer-, manager-ratings) comprised of 182 employees drawn from 37 teams. More specifically, the interaction between task interdependence and task autonomy was γ =.128, p <.05 for power and γ =.166, p <.05 for individual performance. The 95% bootstrap interval ranged from .0038 to .0686.

Experimental and theoretical spectroscopic studies of anticancer drug rosmarinic acid using HF and density functional theory.

PubMed

Mariappan, G; Sundaraganesan, N; Manoharan, S

2012-11-01

In this work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of anticancer drug of rosmarinic acid. The optimized molecular structure, atomic charges, vibrational frequencies, natural bond orbital analysis and ultraviolet-visible spectral interpretation of rosmarinic acid have been studied by performing HF and DFT/B3LYP/6-31G(d,p) level of theory. The FT-IR (solid and solution phase), FT-Raman (solid phase) spectra were recorded in the region 4000-400 and 3500-50 cm(-1), respectively. The UV-Visible absorption spectra of the compound that dissolved in ethanol were recorded in the range of 200-800 nm. The scaled wavenumbers are compared with the experimental values. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. The formation of hydrogen bond was investigated in terms of the charge density by the NBO calculations. Based on the UV spectra and TD-DFT calculations, the electronic structure and the assignments of the absorption bands were carried out. Besides, molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis were investigated using theoretical calculations. Copyright © 2012 Elsevier B.V. All rights reserved.

Theoretical analysis of the time-resolved binary (e, 2e) binding energy spectra on three-body photodissociation of acetone at 195 nm

NASA Astrophysics Data System (ADS)

Yamazaki, M.; Nakayama, S.; Zhu, C. Y.; Takahashi, M.

2017-11-01

We report on theoretical progress in time-resolved (e, 2e) electron momentum spectroscopy of photodissociation dynamics of the deuterated acetone molecule at 195 nm. We have examined the predicted minimum energy reaction path to investigate whether associated (e, 2e) calculations meet the experimental results. A noticeable difference between the experiment and calculations has been found at around binding energy of 10 eV, suggesting that the observed difference may originate, at least partly, in ever-unconsidered non-minimum energy paths.

Theoretical analysis of two nonpolarizing beam splitters in asymmetrical glass cubes.

PubMed

Shi, Jin Hui; Wang, Zheng Ping

2008-05-01

The design principle for a nonpolarizing beam splitter based on the Brewster condition in a cube is introduced. Nonpolarizing beam splitters in an asymmetrical glass cube are proposed and theoretically investigated, and applied examples are given. To realize 50% reflectance and 50% transmittance at specified wavelengths for both polarization components with an error of less than 2%, two measurements are taken by adjusting the refractive index of the substrate material and optimizing the thicknesses of each film in the design procedures. The simulated results show that the targets are achieved using the method reported here.

A Theory of Electrical Conductivity of Pseudo-Binary Equivalent Molten Salt

NASA Astrophysics Data System (ADS)

Matsunaga, Shigeki; Koishi, Takahiro; Tamaki, Shigeru

2008-02-01

Many years ago, Sundheim proposed the "universal golden rule" by experiments, i.e. the ratio of the partial ionic conductivities in molten binary salt is equal to the inverse mass ratio of each ions, σ+/σ- = m-/m-. In the previous works, we have proved this relation by the theory using Langevin equation, and by molecular dynamics simulations (MD). In this study, the pseudo binary molten salt NaCl-KCl system is investigated in the same theoretical framework as previous works as the serial work in molten salts. The MD results are also reported in connection with the theoretical analysis.

Optical Performance Of The Gemini Carbon Dioxide Laser Fusion System

NASA Astrophysics Data System (ADS)

Viswanathan, V. K.; Hayden, J. J.; Liberman, I.

1980-11-01

The performance of the Gemini two beam carbon dioxide laser fusion system was recently upgraded by installation of optical components with improved quality in the final amplifier. A theoretical analysis was conducted in conlunction with measurements of the new performance. The analysis and experimental procedures, and results obtained are reported and compared. Good agreement was found which was within the uncertainties of the analysis and the inaccuracies of the experiments. The focal spot Strehl ratio was between 0.24 and 0.3 for both beams.

Analysis of Microstrip Line Fed Patch Antenna for Wireless Communications

NASA Astrophysics Data System (ADS)

Singh, Ashish; Aneesh, Mohammad; Kamakshi; Ansari, J. A.

2017-11-01

In this paper, theoretical analysis of microstrip line fed rectangular patch antenna loaded with parasitic element and split-ring resonator is presented. The proposed antenna shows that the dualband operation depends on gap between parasitic element, split-ring resonator, length and width of microstrip line. It is found that antenna resonates at two distinct resonating modes i.e., 0.9 GHz and 1.8 GHz for lower and upper resonance frequencies respectively. The antenna shows dual frequency nature with frequency ratio 2.0. The characteristics of microstrip line fed rectangular patch antenna loaded with parasitic element and split-ring resonator antenna is compared with other prototype microstrip line fed antennas. Further, the theoretical results are compared with simulated and reported experimental results, they are in close agreement.

Research on fission fragment excitation of gases and nuclear pumping of lasers

NASA Technical Reports Server (NTRS)

Schneider, R. T.; Davie, R. N.; Davis, J. F.; Fuller, J. L.; Paternoster, R. R.; Shipman, G. R.; Sterritt, D. E.; Helmick, H. H.

1974-01-01

Experimental investigations of fission fragment excited gases are reported along with a theoretical analysis of population inversions in fission fragment excited helium. Other studies reported include: nuclear augmentation of gas lasers, direct nuclear pumping of a helium-xenon laser, measurements of a repetitively pulsed high-power CO2 laser, thermodynamic properties of UF6 and UF6/He mixtures, and nuclear waste disposal utilizing a gaseous core reactor.

Continuing data analysis of the AS/E grazing incidence X-ray telescope experiment on the OSO-4 satellite

NASA Technical Reports Server (NTRS)

Vaiana, G.; Haggerty, R.; Kahler, S.; Krieger, A.; Landini, M.; Timothy, A.; Webb, D.

1973-01-01

The work to correct and extend the calculation of the theoretical solar X-ray spectrum produced during earlier OSO-4 data analysis is reported along with the work to formulate models of active regions, and compare these models with the experimental values. An atlas of solar X-ray photographs is included, and solar X-ray observations are correlated with the solar wind.

Closeout Report for CTEQ Summer School 2015

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

Han, Tao

The CTEQ Collaboration is an informal group of 37 experimental and theoretical high energy physicists from 20 universities and 5 national labs, engaged in a program to advance research in and understanding of QCD. This program includes the well-known collaborative project on global QCD analysis of parton distributions, the organization of a variety of workshops, periodic collaboration meetings, and the subject of this proposal: the CTEQ Summer Schools on QCD Analysis and Phenomenology.

Choosing Appropriate Theories for Understanding Hospital Reporting of Adverse Drug Events, a Theoretical Domains Framework Approach

PubMed Central

Shalviri, Gloria; Yazdizadeh, Bahareh; Mirbaha, Fariba; Gholami, Kheirollah; Majdzadeh, Reza

2018-01-01

Adverse drug events (ADEs) may cause serious injuries including death. Spontaneous reporting of ADEs plays a great role in detection and prevention of them; however, underreporting always exists. Although several interventions have been utilized to solve this problem, they are mainly based on experience and the rationale for choosing them has no theoretical base. The vast variety of behavioural theories makes it difficult to choose appropriate theory. Theoretical domains framework (TDF) is suggested as a solution. The objective of this study was to select the best theory for evaluating ADE reporting in hospitals based on TDF. We carried out three focus group discussions with hospital pharmacists and nurses, based on TDF questions. The analysis was performed through five steps including coding discussions transcript, extracting beliefs, selecting relevant domains, matching related constructs to the extracted beliefs, and determining the appropriate theories in each domain. The theory with the highest number of matched domains and constructs was selected as the theory of choice. A total of six domains were identified relevant to ADE reporting, including “Knowledge”, “Skills”, “Beliefs about consequences”, “Motivation and goals”, “Environmental context and resources” and “Social influences”. We found theory of planned behavior as the comprehensive theory to study factors influencing ADE reporting in hospitals, since it was relevant theory in five out of six relevant domains and the common theory in 55 out of 75 identified beliefs. In conclusion, we suggest theory of planned behavior for further studies on designing appropriate interventions to increase ADE reporting in hospitals. PMID:29881437

Choosing Appropriate Theories for Understanding Hospital Reporting of Adverse Drug Events, a Theoretical Domains Framework Approach.

PubMed

Shalviri, Gloria; Yazdizadeh, Bahareh; Mirbaha, Fariba; Gholami, Kheirollah; Majdzadeh, Reza

2018-01-01

Adverse drug events (ADEs) may cause serious injuries including death. Spontaneous reporting of ADEs plays a great role in detection and prevention of them; however, underreporting always exists. Although several interventions have been utilized to solve this problem, they are mainly based on experience and the rationale for choosing them has no theoretical base. The vast variety of behavioural theories makes it difficult to choose appropriate theory. Theoretical domains framework (TDF) is suggested as a solution. The objective of this study was to select the best theory for evaluating ADE reporting in hospitals based on TDF. We carried out three focus group discussions with hospital pharmacists and nurses, based on TDF questions. The analysis was performed through five steps including coding discussions transcript, extracting beliefs, selecting relevant domains, matching related constructs to the extracted beliefs, and determining the appropriate theories in each domain. The theory with the highest number of matched domains and constructs was selected as the theory of choice. A total of six domains were identified relevant to ADE reporting, including "Knowledge", "Skills", "Beliefs about consequences", "Motivation and goals", "Environmental context and resources" and "Social influences". We found theory of planned behavior as the comprehensive theory to study factors influencing ADE reporting in hospitals, since it was relevant theory in five out of six relevant domains and the common theory in 55 out of 75 identified beliefs. In conclusion, we suggest theory of planned behavior for further studies on designing appropriate interventions to increase ADE reporting in hospitals.

Polyphony in the Classroom: Reporting Narrative Action Research Reflexively

ERIC Educational Resources Information Center

Niemi, Reetta; Heikkinen, Hannu L. T.; Kannas, Lasse

2010-01-01

In this article we will present a reflexive way of producing a narrative analysis on teaching and learning that involves all participants of the pedagogical process. Our theoretical contribution rests on the concept "lived pedagogy", adapted from Max van Manen's term "lived experience". Like van Manen, we start by asking the…

Optical method for measuring the surface area of a threaded fastener

Treesearch

Douglas Rammer; Samuel Zelinka

2010-01-01

This article highlights major aspects of a new optical technique to determine the surface area of a threaded fastener; the theoretical framework has been reported elsewhere. Specifically, this article describes general surface area expressions used in the analysis, details of image acquisition system, and major image processing steps contained within the measurement...

Sexual Abuse, Family Environment, and Psychological Symptoms: On the Validity of Statistical Control.

ERIC Educational Resources Information Center

Briere, John; Elliott, Diana M.

1993-01-01

Responds to article in which Nash et al. reported on effects of controlling for family environment when studying sexual abuse sequelae. Considers findings in terms of theoretical and statistical constraints placed on analysis of covariance and other partializing procedures. Questions use of covariate techniques to test hypotheses about causal role…

Out on a Limb: The Efficacy of Teacher Induction in Secondary Schools

ERIC Educational Resources Information Center

Shockley, Robert; Watlington, Eliah; Felsher, Rivka

2013-01-01

This article reports the results of a qualitative meta-analysis study of the research and literature on the efficacy of teacher induction on the retention of high-quality secondary school teachers and challenges current assumptions about the efficacy of induction despite the proliferation of induction programs nationwide. A theoretical model for…

An APOS Analysis of Natural Science Students' Understanding of Derivatives

ERIC Educational Resources Information Center

Maharaj, Aneshkumar

2013-01-01

This article reports on a study which used the APOS (action-process-object-schema) theoretical framework to investigate university students' understanding of derivatives and their applications. Research was done at the Westville Campus of the University of KwaZulu-Natal in South Africa. The relevant rules for finding derivatives and their…

The Urban Impacts of Federal Policies: Vol.2, Economic Development.

ERIC Educational Resources Information Center

Vaughan, Roger J.

This report examines the relationship between federal programs and policies and urban economic development. It provides both a conceptual analysis of the relationships and a review of the theoretical and empirical literature relevant to assessing policy effects. It is one of several in a broad study that examined federal actions in relation to…

The Accountability Dimension in Quality Assurance: An International Comparison

ERIC Educational Resources Information Center

Stensaker, Bjorn; Harvey, Lee

2013-01-01

The paper reports from a comparative study on systems of quality assurance in 19 countries around the globe, and how these systems function as accountability mechanisms. Based on a theoretical framework for assessing how accountability mechanisms can contribute to build trust in the higher education sector, the analysis of the quality assurance…

Polarization dependent two-photon absorption spectroscopy on a naturally occurring biomarker (curcumin) in solution: A theoretical-experimental study

NASA Astrophysics Data System (ADS)

Tiburcio-Moreno, Jose A.; Alvarado-Gil, J. J.; Diaz, Carlos; Echevarria, Lorenzo; Hernández, Florencio E.

2013-09-01

We report on the theoretical-experimental analysis of the two-photon absorption (TPA) and two-photon circular-linear dichroism (TPCLD) spectra of (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione (curcumin) in Tetrahydrofuran (THF) solution. The measurement of the full TPA spectrum of this molecule reveals a maximum TPA cross-section at 740 nm, i.e. more than 10 times larger than the maximum reported in the literature at 800 nm for the application of curcumin in bioimaging. The TPCLD spectrum exposes the symmetry of the main excited-states involved in the two-photon excitation process. TD-DFT calculations support the experimental results. These outcomes are expected to expand the application of natural-occurring dyes in bioimaging.

Critical assessment of inverse gas chromatography as means of assessing surface free energy and acid-base interaction of pharmaceutical powders.

PubMed

Telko, Martin J; Hickey, Anthony J

2007-10-01

Inverse gas chromatography (IGC) has been employed as a research tool for decades. Despite this record of use and proven utility in a variety of applications, the technique is not routinely used in pharmaceutical research. In other fields the technique has flourished. IGC is experimentally relatively straightforward, but analysis requires that certain theoretical assumptions are satisfied. The assumptions made to acquire some of the recently reported data are somewhat modified compared to initial reports. Most publications in the pharmaceutical literature have made use of a simplified equation for the determination of acid/base surface properties resulting in parameter values that are inconsistent with prior methods. In comparing the surface properties of different batches of alpha-lactose monohydrate, new data has been generated and compared with literature to allow critical analysis of the theoretical assumptions and their importance to the interpretation of the data. The commonly used (simplified) approach was compared with the more rigorous approach originally outlined in the surface chemistry literature. (c) 2007 Wiley-Liss, Inc.

Experimental and theoretical oscillator strengths of Mg I for accurate abundance analysis

NASA Astrophysics Data System (ADS)

Pehlivan Rhodin, A.; Hartman, H.; Nilsson, H.; Jönsson, P.

2017-02-01

Context. With the aid of stellar abundance analysis, it is possible to study the galactic formation and evolution. Magnesium is an important element to trace the α-element evolution in our Galaxy. For chemical abundance analysis, such as magnesium abundance, accurate and complete atomic data are essential. Inaccurate atomic data lead to uncertain abundances and prevent discrimination between different evolution models. Aims: We study the spectrum of neutral magnesium from laboratory measurements and theoretical calculations. Our aim is to improve the oscillator strengths (f-values) of Mg I lines and to create a complete set of accurate atomic data, particularly for the near-IR region. Methods: We derived oscillator strengths by combining the experimental branching fractions with radiative lifetimes reported in the literature and computed in this work. A hollow cathode discharge lamp was used to produce free atoms in the plasma and a Fourier transform spectrometer recorded the intensity-calibrated high-resolution spectra. In addition, we performed theoretical calculations using the multiconfiguration Hartree-Fock program ATSP2K. Results: This project provides a set of experimental and theoretical oscillator strengths. We derived 34 experimental oscillator strengths. Except from the Mg I optical triplet lines (3p 3P°0,1,2-4s 3S1), these oscillator strengths are measured for the first time. The theoretical oscillator strengths are in very good agreement with the experimental data and complement the missing transitions of the experimental data up to n = 7 from even and odd parity terms. We present an evaluated set of oscillator strengths, gf, with uncertainties as small as 5%. The new values of the Mg I optical triplet line (3p 3P°0,1,2-4s 3S1) oscillator strength values are 0.08 dex larger than the previous measurements.

Cumulative reports and publications

NASA Technical Reports Server (NTRS)

1993-01-01

A complete list of Institute for Computer Applications in Science and Engineering (ICASE) reports are listed. Since ICASE reports are intended to be preprints of articles that will appear in journals or conference proceedings, the published reference is included when it is available. The major categories of the current ICASE research program are: applied and numerical mathematics, including numerical analysis and algorithm development; theoretical and computational research in fluid mechanics in selected areas of interest to LaRC, including acoustics and combustion; experimental research in transition and turbulence and aerodynamics involving LaRC facilities and scientists; and computer science.

Health Professionals' Explanations of Suicidal Behaviour: Effects of Professional Group, Theoretical Intervention Model, and Patient Suicide Experience.

PubMed

Rothes, Inês Areal; Henriques, Margarida Rangel

2017-12-01

In a help relation with a suicidal person, the theoretical models of suicidality can be essential to guide the health professional's comprehension of the client/patient. The objectives of this study were to identify health professionals' explanations of suicidal behaviors and to study the effects of professional group, theoretical intervention models, and patient suicide experience in professionals' representations. Two hundred and forty-two health professionals filled out a self-report questionnaire. Exploratory principal components analysis was used. Five explanatory models were identified: psychological suffering, affective cognitive, sociocommunicational, adverse life events, and psychopathological. Results indicated that the psychological suffering and psychopathological models were the most valued by the professionals, while the sociocommunicational was seen as the least likely to explain suicidal behavior. Differences between professional groups were found. We concluded that training and reflection on theoretical models in general and in communicative issues in particular are needed in the education of health professionals.

Confirming the appearance of excess success: Reply to van Boxtel and Koch (2016).

PubMed

Francis, Gregory

2016-12-01

van Boxtel and Koch (Psychonomic Bulletin & Review. doi: 10.3758/s13423-016-1010-0 , 2016) reported finding problems in the Test for Excess Success (TES) analysis in Francis (Psychonomic Bulletin & Review, 21, 1180-1187, 2014). They argued that their findings undermined the general analysis and the conclusions of the specific TES analysis for their article (van Boxtel & Koch in Psychological Science, 23(4), 410-418, 2012). As shown in this paper, their reported problems reflect misunderstandings about both the general properties of a TES analysis and how it was applied to their specific set of findings. Another look at the findings and theoretical claims in van Boxtel and Koch (Psychological Science, 23(4), 410-418, 2012) confirms the appearance of excess success.

Analysis of Implicit Uncertain Systems. Part 1: Theoretical Framework

DTIC Science & Technology

1994-12-07

Analysis of Implicit Uncertain Systems Part I: Theoretical Framework Fernando Paganini * John Doyle 1 December 7, 1994 Abst rac t This paper...Analysis of Implicit Uncertain Systems Part I: Theoretical Framework 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S...model and a number of constraints relevant to the analysis problem under consideration. In Part I of this paper we propose a theoretical framework which

Theoretical and experimental investigations on high peak power Q-switched Nd:YAG laser at 1112 nm

NASA Astrophysics Data System (ADS)

He, Miao; Yang, Feng; Wang, Zhi-Chao; Gao, Hong-Wei; Yuan, Lei; Li, Chen-Long; Zong, Nan; Shen, Yu; Bo, Yong; Peng, Qin-Jun; Cui, Da-Fu; Xu, Zu-Yan

2018-07-01

We report on the experimental measurement and theoretical analysis on a Q-switched high peak power laser diode (LD) side-pumped 1112 nm Nd:YAG laser by means of special mirrors coating design in cavity. In theory, a numerical model, based on four-wavelength rate equations, is performed to analyze the competition process of different gain lines and the output characteristics of the Q-switched Nd:YAG laser. In the experiment, a maximum output power of 25.2 W with beam quality factor M2 of 1.46 is obtained at the pulse repetition rate of 2 kHz and 210 ns of pulse width, corresponding to a pulse energy and peak power of 12.6 mJ and 60 kW, respectively. The experimental data agree well with the theoretical simulation results.

Method of excess fractions with application to absolute distance metrology: wavelength selection and the effects of common error sources.

PubMed

Falaggis, Konstantinos; Towers, David P; Towers, Catherine E

2012-09-20

Multiwavelength interferometry (MWI) is a well established technique in the field of optical metrology. Previously, we have reported a theoretical analysis of the method of excess fractions that describes the mutual dependence of unambiguous measurement range, reliability, and the measurement wavelengths. In this paper wavelength, selection strategies are introduced that are built on the theoretical description and maximize the reliability in the calculated fringe order for a given measurement range, number of wavelengths, and level of phase noise. Practical implementation issues for an MWI interferometer are analyzed theoretically. It is shown that dispersion compensation is best implemented by use of reference measurements around absolute zero in the interferometer. Furthermore, the effects of wavelength uncertainty allow the ultimate performance of an MWI interferometer to be estimated.

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.

How authors did it - a methodological analysis of recent engineering education research papers in the European Journal of Engineering Education

NASA Astrophysics Data System (ADS)

Malmi, Lauri; Adawi, Tom; Curmi, Ronald; de Graaff, Erik; Duffy, Gavin; Kautz, Christian; Kinnunen, Päivi; Williams, Bill

2018-03-01

We investigated research processes applied in recent publications in the European Journal of Engineering Education (EJEE), exploring how papers link to theoretical work and how research processes have been designed and reported. We analysed all 155 papers published in EJEE in 2009, 2010 and 2013, classifying the papers using a taxonomy of research processes in engineering education research (EER) (Malmi et al. 2012). The majority of the papers presented either empirical work (59%) or were case reports (27%). Our main findings are as follows: (1) EJEE papers build moderately on a wide selection of theoretical work; (2) a great majority of papers have a clear research strategy, but data analysis methods are mostly simple descriptive statistics or simple/undocumented qualitative research methods; and (3) there are significant shortcomings in reporting research questions, methodology and limitations of studies. Our findings are consistent with and extend analyses of EER papers in other publishing venues; they help to build a clearer picture of the research currently published in EJEE and allow us to make recommendations for consideration by the editorial team of the journal. Our employed procedure also provides a framework that can be applied to monitor future global evolution of this and other EER journals.

Unprecedented homotopy perturbation method for solving nonlinear equations in the enzymatic reaction of glucose in a spherical matrix.

PubMed

Saranya, K; Mohan, V; Kizek, R; Fernandez, C; Rajendran, L

2018-02-01

The theory of glucose-responsive composite membranes for the planar diffusion and reaction process is extended to a microsphere membrane. The theoretical model of glucose oxidation and hydrogen peroxide production in the chitosan-aliginate microsphere has been discussed in this manuscript for the first time. We have successfully reported an analytical derived methodology utilizing homotopy perturbation to perform the numerical simulation. The influence and sensitive analysis of various parameters on the concentrations of gluconic acid and hydrogen peroxide are also discussed. The theoretical results enable to predict and optimize the performance of enzyme kinetics.

Stability and spatial arrangement of the 2,4-dichlorophenoxyacetic acid and β-cyclodextrin inclusion compound: A theoretical study

NASA Astrophysics Data System (ADS)

Pereira, Robson A.; Anconi, Cleber P. A.; Nascimento, Clebio S.; De Almeida, Wagner B.; Dos Santos, Hélio F.

2015-07-01

The present letter reports results from a comprehensive theoretical analysis of the inclusion process involving 2,4-dichlorophenoxyacetic acid (2,4-D) and β-cyclodextrin (β-CD) for which the experimental data of formation is available. Spatial arrangement and stabilization energies were evaluated in gas phase and aqueous solution through density functional theory (DFT) and through the use of SMD implicit solvation approach. The discussed methodology was applied to predict the stability and identify the most favorable form (deprotonated or neutral) as well as the most probable spatial arrangement of the studied inclusion compound.

Response to Comment on "Synthesis and characterization of the pentazolate anion cyclo-N5- in (N5)6(H3O)3(NH4)4Cl".

PubMed

Jiang, Chao; Zhang, Lei; Sun, Chengguo; Zhang, Chong; Yang, Chen; Chen, Jun; Hu, Bingcheng

2018-03-16

Huang and Xu argue that the cyclo -N 5 - ion in (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl we described in our report is theoretically unfavorable and is instead protonated. Their conclusion is invalid, as they use an improper method to assess the proton transfer in a solid crystal structure. We present an in-depth experimental and theoretical analysis of (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl that supports the results in the original paper. Copyright © 2018, American Association for the Advancement of Science.

Demonstration of brain noise on human EEG signals in perception of bistable images

NASA Astrophysics Data System (ADS)

Grubov, Vadim V.; Runnova, Anastasiya E.; Kurovskaya, Maria K.; Pavlov, Alexey N.; Koronovskii, Alexey A.; Hramov, Alexander E.

2016-03-01

In this report we studied human brain activity in the case of bistable visual perception. We proposed a new approach for quantitative characterization of this activity based on analysis of EEG oscillatory patterns and evoked potentials. Accordingly to theoretical background, obtained experimental EEG data and results of its analysis we studied a characteristics of brain activity during decision-making. Also we have shown that decisionmaking process has the special patterns on the EEG data.

Thermohydrodynamic Analysis of Cryogenic Liquid Turbulent Flow Fluid Film Bearings

NASA Technical Reports Server (NTRS)

San Andres, Luis

1996-01-01

This report describes a thermohydrodynamic analysis and computer programs for the prediction of the static and dynamic force response of fluid film bearings for cryogenic applications. The research performed addressed effectively the most important theoretical and practical issues related to the operation and performance of cryogenic fluid film bearings. Five computer codes have been licensed by the Texas A&M University to NASA centers and contractors and a total of 14 technical papers have been published.

Informational analysis for compressive sampling in radar imaging.

PubMed

Zhang, Jingxiong; Yang, Ke

2015-03-24

Compressive sampling or compressed sensing (CS) works on the assumption of the sparsity or compressibility of the underlying signal, relies on the trans-informational capability of the measurement matrix employed and the resultant measurements, operates with optimization-based algorithms for signal reconstruction and is thus able to complete data compression, while acquiring data, leading to sub-Nyquist sampling strategies that promote efficiency in data acquisition, while ensuring certain accuracy criteria. Information theory provides a framework complementary to classic CS theory for analyzing information mechanisms and for determining the necessary number of measurements in a CS environment, such as CS-radar, a radar sensor conceptualized or designed with CS principles and techniques. Despite increasing awareness of information-theoretic perspectives on CS-radar, reported research has been rare. This paper seeks to bridge the gap in the interdisciplinary area of CS, radar and information theory by analyzing information flows in CS-radar from sparse scenes to measurements and determining sub-Nyquist sampling rates necessary for scene reconstruction within certain distortion thresholds, given differing scene sparsity and average per-sample signal-to-noise ratios (SNRs). Simulated studies were performed to complement and validate the information-theoretic analysis. The combined strategy proposed in this paper is valuable for information-theoretic orientated CS-radar system analysis and performance evaluation.

I know what you did last summer (and it was not CBT): a factor analytic model of international psychotherapeutic practice in the eating disorders.

PubMed

Tobin, David L; Banker, Judith D; Weisberg, Laura; Bowers, Wayne

2007-12-01

Although several studies have shown that eating disorders clinicians do not generally use treatment manuals, findings regarding what they do use have typically been vague, or closely linked to a particular theoretical approach. Our goal was to identify what eating disorder clinicians do with their patients in a more theoretically neutral context. We also sought to describe an empirically defined approach to psychotherapeutic practice as defined by clinicians via factor analysis. A survey developed for this study was administered to 265 clinicians recruited online and at regional and international meetings for eating disorders professionals. Only 6% of respondents reported they adhered closely to treatment manuals and 98% of the respondents indicated they used both behavioral and dynamically informed interventions. Factor analysis of clinicians' use of 32 therapeutic strategies suggested seven dimensions: Psychodynamic Interventions, Coping Skills Training, Family History, CBT, Contracts, Therapist Disclosure, and Patient Feelings. The findings of this study suggest that most clinicians use a wide array of eating disorder treatment interventions drawn from empirically supported treatments, such as CBT-BN, and from treatments that have no randomized controlled trial support. Factor analysis suggested theoretically linked dimensions of treatment, but also dimensions that are common across models. (c) 2007 by Wiley Periodicals, Inc.

Understanding diagnosis and management of dementia and guideline implementation in general practice: a qualitative study using the theoretical domains framework.

PubMed

Murphy, Kerry; O'Connor, Denise A; Browning, Colette J; French, Simon D; Michie, Susan; Francis, Jill J; Russell, Grant M; Workman, Barbara; Flicker, Leon; Eccles, Martin P; Green, Sally E

2014-03-03

Dementia is a growing problem, causing substantial burden for patients, their families, and society. General practitioners (GPs) play an important role in diagnosing and managing dementia; however, there are gaps between recommended and current practice. The aim of this study was to explore GPs' reported practice in diagnosing and managing dementia and to describe, in theoretical terms, the proposed explanations for practice that was and was not consistent with evidence-based guidelines. Semi-structured interviews were conducted with GPs in Victoria, Australia. The Theoretical Domains Framework (TDF) guided data collection and analysis. Interviews explored the factors hindering and enabling achievement of 13 recommended behaviours. Data were analysed using content and thematic analysis. This paper presents an in-depth description of the factors influencing two behaviours, assessing co-morbid depression using a validated tool, and conducting a formal cognitive assessment using a validated scale. A total of 30 GPs were interviewed. Most GPs reported that they did not assess for co-morbid depression using a validated tool as per recommended guidance. Barriers included the belief that depression can be adequately assessed using general clinical indicators and that validated tools provide little additional information (theoretical domain of 'Beliefs about consequences'); discomfort in using validated tools ('Emotion'), possibly due to limited training and confidence ('Skills'; 'Beliefs about capabilities'); limited awareness of the need for, and forgetting to conduct, a depression assessment ('Knowledge'; 'Memory, attention and decision processes'). Most reported practising in a manner consistent with the recommendation that a formal cognitive assessment using a validated scale be undertaken. Key factors enabling this were having an awareness of the need to conduct a cognitive assessment ('Knowledge'); possessing the necessary skills and confidence ('Skills'; 'Beliefs about capabilities'); and having adequate time and resources ('Environmental context and resources'). This is the first study to our knowledge to use a theoretical approach to investigate the barriers and enablers to guideline-recommended diagnosis and management of dementia in general practice. It has identified key factors likely to explain GPs' uptake of the guidelines. The results have informed the design of an intervention aimed at supporting practice change in line with dementia guidelines, which is currently being evaluated in a cluster randomised trial.

A Theoretical Framework for Examining Geographical Variability in the Microphysical Mechanisms of Precipitation Development.

DTIC Science & Technology

1986-06-01

Energy and Natural Resources SWS Contract Report 391 FINAL REPORT A THEORETICAL FRAMEWORK FOR EXAMINING GEOGRAPHICAL VARIABILITY IN THE MICROPHYSICAL...U) A Theoretical Framework for Examining Geographical Variability in the Microphysical Mechanisms of Precipitation Development 12. PERSONAL AUTHOR(S...concentration. Oter key parameters include the degree of entrainment and stability of the environment. I 5 - T17 Unclassified ,.-. . A THEORETICAL FRAMEWORK FOR

Encountering Culture through Gender Norms in International Education: The Case of Volunteers in Ecuador

ERIC Educational Resources Information Center

McGivern, Martha

2012-01-01

Demonstrating how international education programs can be used to study theoretical issues relevant to comparative education, this article reports on a scholarly analysis of 83 handover letters written by US participants in a volunteer program in Ecuador to their incoming counterparts between 2006 and 2010. It applies Swidler's notion of…

A Meta-Analytic Investigation of the Relationship between Attentional Bias and Subjective Craving in Substance Abuse

ERIC Educational Resources Information Center

Field, Matt; Munafo, Marcus R.; Franken, Ingmar H. A.

2009-01-01

Theoretical models of addiction suggest that attentional bias for substance-related cues should be associated with self-reported craving. The authors evaluated the strength of the association by performing a meta-analysis on 68 independent data sets from which correlation coefficients between subjective craving and attentional bias indices were…

40 CFR 761.185 - Certification program and retention of records by importers and persons generating PCBs in...

Code of Federal Regulations, 2012 CFR

2012-07-01

..., if no processes or imports require reports at the time, within 90 days of having processes or imports... information: (i) Theoretical analysis. Manufacturers records must include: the reaction or reactions believed... records must include: the reaction or reactions believed to be generating PCBs and the levels of PCBs...

40 CFR 761.185 - Certification program and retention of records by importers and persons generating PCBs in...

Code of Federal Regulations, 2013 CFR

2013-07-01

..., if no processes or imports require reports at the time, within 90 days of having processes or imports... information: (i) Theoretical analysis. Manufacturers records must include: the reaction or reactions believed... records must include: the reaction or reactions believed to be generating PCBs and the levels of PCBs...

40 CFR 761.185 - Certification program and retention of records by importers and persons generating PCBs in...

Code of Federal Regulations, 2014 CFR

2014-07-01

..., if no processes or imports require reports at the time, within 90 days of having processes or imports... information: (i) Theoretical analysis. Manufacturers records must include: the reaction or reactions believed... records must include: the reaction or reactions believed to be generating PCBs and the levels of PCBs...

40 CFR 761.185 - Certification program and retention of records by importers and persons generating PCBs in...

Code of Federal Regulations, 2011 CFR

2011-07-01

..., if no processes or imports require reports at the time, within 90 days of having processes or imports... information: (i) Theoretical analysis. Manufacturers records must include: the reaction or reactions believed... records must include: the reaction or reactions believed to be generating PCBs and the levels of PCBs...

Women, Scientists, Agitators: Magazine Portrayal of Rachel Carson and Theo Colborn.

ERIC Educational Resources Information Center

Corbett, Julia B.

2001-01-01

Utilizes a theoretical framework of the media's role in reporting conflict and uncertain science, and feminism and science in a thematic analysis of magazine coverage given Rachel Carson and "the Rachel Carson of '90s," Theo Colborn. Notes that Carson and Colborn's identities as women, scientists, and agitators led critics to charge that…

A Case Study of Pedagogy of Mathematics Support Tutors without a Background in Mathematics Education

ERIC Educational Resources Information Center

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…

Action Research as Primary Vehicle for Inquiry in the Professional Development School

ERIC Educational Resources Information Center

Tunks, Jeanne L.

2011-01-01

This Yearbook chapter, a compilation of multiple sources, presents both the history of action research and an analysis of reported action research in the professional development school (PDS) between 1992 and 2010. The history begins prior to the inception of the PDS and provides a theoretical premise for action research in the PDS in subsequent…

Comparison of Unidimensional and Multidimensional Approaches to IRT Parameter Estimation. Research Report. ETS RR-04-44

ERIC Educational Resources Information Center

Zhang, Jinming

2004-01-01

It is common to assume during statistical analysis of a multiscale assessment that the assessment has simple structure or that it is composed of several unidimensional subtests. Under this assumption, both the unidimensional and multidimensional approaches can be used to estimate item parameters. This paper theoretically demonstrates that these…

Rhetorical Dissent as an Adaptive Response to Classroom Problems: A Test of Protection Motivation Theory

ERIC Educational Resources Information Center

Bolkan, San; Goodboy, Alan K.

2016-01-01

Protection motivation theory (PMT) explains people's adaptive behavior in response to personal threats. In this study, PMT was used to predict rhetorical dissent episodes related to 210 student reports of perceived classroom problems. In line with theoretical predictions, a moderated moderation analysis revealed that students were likely to voice…

State Labor Market Research Study: An Econometric Analysis of the Effects of Labor Subsidies.

ERIC Educational Resources Information Center

MacRae, C. Duncan; And Others

The report describes the construction, application, and theoretical implications of an econometric model depicting the effects of labor subsidies on the supply of workers in the U.S. Three papers deal with the following aspects of constructing the econometric model: (1) examination of equilibrium wages, employment, and earnings of primary and…

Measurement Error in Nonparametric Item Response Curve Estimation. Research Report. ETS RR-11-28

ERIC Educational Resources Information Center

Guo, Hongwen; Sinharay, Sandip

2011-01-01

Nonparametric, or kernel, estimation of item response curve (IRC) is a concern theoretically and operationally. Accuracy of this estimation, often used in item analysis in testing programs, is biased when the observed scores are used as the regressor because the observed scores are contaminated by measurement error. In this study, we investigate…

ICASE

NASA Technical Reports Server (NTRS)

1994-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in the areas of (1) applied and numerical mathematics, including numerical analysis and algorithm development; (2) theoretical and computational research in fluid mechanics in selected areas of interest, including acoustics and combustion; (3) experimental research in transition and turbulence and aerodynamics involving Langley facilities and scientists; and (4) computer science.

An Investigation of the Conceptual and Qualitative Impact of Employment Tax Credits.

ERIC Educational Resources Information Center

Fethke, Gary C.; And Others

The study reported here provides a theoretical and empirical framework for the analysis of employment tax credit policy (a government subsidy or business tax credit to firms who maintain or expand their use of labor). Various programs are examined from the standpoint of structure and implications. The programs are selective employment incentive;…

Preliminary eddy current modelling for the large angle magnetic suspension test fixture

NASA Technical Reports Server (NTRS)

Britcher, Colin

1994-01-01

This report presents some recent developments in the mathematical modeling of the Large Angle Magnetic Suspension Test Fixture (LAMSTF) at NASA Langley Research Center. It is shown that these effects are significant, but may be amenable to analysis, modeling and measurement. A theoretical framework is presented, together with a comparison of computed and experimental data.

High Energy Astrophysics Program

NASA Technical Reports Server (NTRS)

1996-01-01

This report reviews activities performed-by members of the USRA contract team during the six months of the reporting period and projected activities during the coming six months. Activities take place at the Goddard Space Flight Center, visiting the Laboratory for High Energy Astrophysics. Developments concern instrumentation, observation, data analysis, and theoretical work in Astrophysics. Missions supported include: Advanced Satellite for Cosmology and Astrophysics (ASCA); X-ray Timing Experiment (XTE); X-ray Spectrometer (XRS); Astro-E; High Energy Astrophysics Science Archive Research Center (HEASARC), and others.

High Energy Astrophysics Research and Programmatic Support

NASA Technical Reports Server (NTRS)

Angelini, Lorella

1998-01-01

This report reviews activities performed by members of the USRA contract team during the six months of the reporting period and projected activities during the coming six months. Activities take place at the Goddard Space Flight Center, within the Laboratory for High Energy Astrophysics. Developments concern instrumentation, observation, data analysis, and theoretical work in Astrophysics. Missions supported include: Advanced Satellite for Cosmology and Astrophysics (ASCA), X-ray Timing Experiment (XTE), X-ray Spectrometer (XRS), Astro-E, High Energy Astrophysics Science Archive Research Center (HEASARC), and others.

High Energy Astrophysics Program (HEAP)

NASA Technical Reports Server (NTRS)

Angelini, Lorella; Corcoran, Michael; Drake, Stephen; McGlynn, Thomas A.; Snowden, Stephen; Mukai, Koji; Cannizzo, John; Lochner, James; Rots, Arnold; Christian, Eric;

Packaging consideration of two-dimensional polymer-based photonic crystals for laser beam steering

NASA Astrophysics Data System (ADS)

Dou, Xinyuan; Chen, Xiaonan; Chen, Maggie Yihong; Wang, Alan Xiaolong; Jiang, Wei; Chen, Ray T.

2009-02-01

In this paper, we report the theoretical study of polymer-based photonic crystals for laser beam steering which is based on the superprism effect as well as the experiment fabrication of the two dimensional photonic crystals for the laser beam steering. Superprism effect, the principle for beam steering, was separately studied in details through EFC (Equifrequency Contour) analysis. Polymer based photonic crystals were fabricated through double exposure holographic interference method using SU8-2007. The experiment results were also reported.

High Energy Astrophysics Program (HEAP)

NASA Technical Reports Server (NTRS)

Angelini, L.

1998-01-01

This report reviews activities performed by members of the USRA contract team during the six months of the reporting period and projected activities during the coming six months. Activities take place at the Goddard Space Flight Center, within the Laboratory for High Energy Astrophysics. Developments concern instrumentation, observation, data analysis, and theoretical work in Astrophysics Missions supported include: Advanced Satellite for Cosmology and Astrophysics (ASCA), X-ray Timing Experiment (XTE), X-ray Spectrometer (XRS), Astro-E, High Energy Astrophysics Science Archive Research Center (HEASARC), and others.

High Energy Astrophysics Research and Programmatic Support

NASA Technical Reports Server (NTRS)

Angelini, L. (Editor)

1997-01-01

This report reviews activities performed by members of the USRA contract team during the six months of the reporting period and projected activities during the coming six months. Activities take place at the Goddard Space Flight Center, within the Laboratory for High Energy Astrophysics. Developments concern instrumentation, observation, data analysis, and theoretical work in Astrophysics. Missions supported include: Advanced Satellite for Cosmology and Astrophysics (ASCA), X-ray Timing Experiment (XTE), X-ray Spectrometer (XRS), Astro-E, High Energy Astrophysics Science Archive Research Center (HEASARC), and others.

Human movement analysis using stereophotogrammetry. Part 1: theoretical background.

PubMed

Cappozzo, Aurelio; Della Croce, Ugo; Leardini, Alberto; Chiari, Lorenzo

2005-02-01

This paper sets the stage for a series of reviews dealing with the problems associated with the reconstruction and analysis of in vivo skeletal system kinematics using optoelectronic stereophotogrammetric data. Instantaneous bone position and orientation and joint kinematic variable estimations are addressed in the framework of rigid body mechanics. The conceptual background to these exercises is discussed. Focus is placed on the experimental and analytical problem of merging the information relative to movement and that relative to the morphology of the anatomical body parts of interest. The various global and local frames that may be used in this context are defined. Common anatomical and mathematical conventions that can be used to describe joint kinematics are illustrated in a comparative fashion. The authors believe that an effort to systematize the different theoretical and experimental approaches to the problems involved and related nomenclatures, as currently reported in the literature, is needed to facilitate data and knowledge sharing, and to provide renewed momentum for the advancement of human movement analysis.

Status of the R-matrix Code AMUR toward a consistent cross-section evaluation and covariance analysis for the light nuclei

NASA Astrophysics Data System (ADS)

Kunieda, Satoshi

2017-09-01

We report the status of the R-matrix code AMUR toward consistent cross-section evaluation and covariance analysis for the light-mass nuclei. The applicable limit of the code is extended by including computational capability for the charged-particle elastic scattering cross-sections and the neutron capture cross-sections as example results are shown in the main texts. A simultaneous analysis is performed on the 17O compound system including the 16O(n,tot) and 13C(α,n)16O reactions together with the 16O(n,n) and 13C(α,α) scattering cross-sections. It is found that a large theoretical background is required for each reaction process to obtain a simultaneous fit with all the experimental cross-sections we analyzed. Also, the hard-sphere radii should be assumed to be different from the channel radii. Although these are technical approaches, we could learn roles and sources of the theoretical background in the standard R-matrix.

Efficiency limits for photoelectrochemical water-splitting

DOE PAGES

Fountaine, Katherine T.; Lewerenz, Hans Joachim; Atwater, Harry A.

2016-12-02

Theoretical limiting efficiencies have a critical role in determining technological viability and expectations for device prototypes, as evidenced by the photovoltaics community’s focus on detailed balance. However, due to their multicomponent nature, photoelectrochemical devices do not have an equivalent analogue to detailed balance, and reported theoretical efficiency limits vary depending on the assumptions made. Here we introduce a unified framework for photoelectrochemical device performance through which all previous limiting efficiencies can be understood and contextualized. Ideal and experimentally realistic limiting efficiencies are presented, and then generalized using five representative parameters—semiconductor absorption fraction, external radiative efficiency, series resistance, shunt resistance andmore » catalytic exchange current density—to account for imperfect light absorption, charge transport and catalysis. Finally, we discuss the origin of deviations between the limits discussed herein and reported water-splitting efficiencies. This analysis provides insight into the primary factors that determine device performance and a powerful handle to improve device efficiency.« less

The use of decision analysis to evaluate the economic effects of heat mount detectors in two dairy herds.

PubMed

Williamson, N B

1975-03-01

This paper reports a decrease in the interval from calving to conception in two commercial dairy herds, associated with the use of KaMaR Heat Mount Detectors. An economic analysis of the results uses a neoclassical decision theory approach to demonstrate that the use of heat mount detectors is likely to be profitable, with an expected net return of $154.18 per 100 calvings. The analysis demonstrates the suitability of a decision-theoretic approach to the analysis of applied research, and illustrates some of the weaknesses of "Classical" statistical analysis in such circumstances.

Physical Violence between Siblings: A Theoretical and Empirical Analysis

ERIC Educational Resources Information Center

Hoffman, Kristi L.; Kiecolt, K. Jill; Edwards, John N.

2005-01-01

This study develops and tests a theoretical model to explain sibling violence based on the feminist, conflict, and social learning theoretical perspectives and research in psychology and sociology. A multivariate analysis of data from 651 young adults generally supports hypotheses from all three theoretical perspectives. Males with brothers have…

Compressive deformation of a single microcapsule

NASA Astrophysics Data System (ADS)

Liu, K. K.; Williams, D. R.; Briscoe, B. J.

1996-12-01

This paper reports an experimental and theoretical study of the compressive behavior of single microcapsules; that is, liquid-filled cellular entities (approximately 65 μm in diameter) with a thin polymeric membrane wall. An experimental technique which allows the simultaneous measurement of both the compressive displacement and the reaction forces of individual microcapsules deformed between two parallel plates up to a dimensionless approach [(compressive displacement)/(initial particle diameter)] of 60% is described. The corresponding major geometric parameters of the deformed microcapsule, such as central lateral extension as well as the failure phenomena, are reported and recorded through a microscopic visualization system. The elastic modulus, the bursting strength of the membrane, and the pressure difference across the membrane are computed by using a theoretical analysis which is also presented in this paper. This theoretical model, which was developed by Feng and Yang [

A Mixed-Method Analysis of Reports on 100 Cases of Improper Prescribing of Controlled Substances

PubMed Central

DuBois, James M.; Chibnall, John T.; Anderson, Emily E.; Eggers, Michelle; Baldwin, Kari; Vasher, Meghan

2017-01-01

Improper prescribing of controlled substances contributes to opioid addictions and deaths by overdose. Studies conducted to-date have largely lacked a theoretical framework and ignored the interaction of individual with environmental factors. We conducted a mixed-method analysis of published reports on 100 cases that occurred in the United States. An average of 17 reports (e.g., from medical boards) per case were coded for 38 dichotomous variables describing the physician, setting, patients, and investigation. A theory on how the case occurred was developed for each case. Explanatory typologies were developed and then validated through hierarchical cluster analysis. Most cases involved physicians who were male (88%), >40 years old (90%), non-board certified (63%), and in small private practices (97%); 54% of cases reported facts about the physician indicative of self-centered personality traits. Three explanatory typologies were validated. Increasing oversight provided by peers and trainees may help prevent improper prescribing of controlled substances. PMID:28663601

Ab initio elastic properties and tensile strength of crystalline hydroxyapatite.

PubMed

Ching, W Y; Rulis, Paul; Misra, A

2009-10-01

We report elastic constant calculation and a "theoretical" tensile experiment on stoichiometric hydroxyapatite (HAP) crystal using an ab initio technique. These results compare favorably with a variety of measured data. Theoretical tensile experiments are performed on the orthorhombic cell of HAP for both uniaxial and biaxial loading. The results show considerable anisotropy in the stress-strain behavior. It is shown that the failure behavior of the perfect HAP crystal is brittle for tension along the z-axis with a maximum stress of 9.6 GPa at 10% strain. Biaxial failure envelopes from six "theoretical" loading tests show a highly anisotropic pattern. Structural analysis of the crystal under various stages of tensile strain reveals that the deformation behavior manifests itself mainly in the rotation of the PO(4) tetrahedron with concomitant movements of both the columnar and axial Ca ions. These results are discussed in the context of mechanical properties of bioceramic composites relevant to mineralized tissues.

Development of Low-cost, High Energy-per-unit-area Solar Cell Modules

NASA Technical Reports Server (NTRS)

Jones, G. T.; Chitre, S.; Rhee, S. S.

1978-01-01

The development of two hexagonal solar cell process sequences, a laserscribing process technique for scribing hexagonal and modified hexagonal solar cells, a large through-put diffusion process, and two surface macrostructure processes suitable for large scale production is reported. Experimental analysis was made on automated spin-on anti-reflective coating equipment and high pressure wafer cleaning equipment. Six hexagonal solar cell modules were fabricated. Also covered is a detailed theoretical analysis on the optimum silicon utilization by modified hexagonal solar cells.

Development and analysis of closed cycle circulator elements. Final report 31 Jul 978-31 May 1980

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

Shih, C.C.; Karr, G.R.; Perkins, J.F.

1980-05-01

A series of experiments with various flow rates of laser gas and coolants under several levels of energy inputs has been conducted on the Army Closed Cycle Circulator for pulsed EDL to collect sufficient data for flow calibration and coefficient determination. Verification of the theoretical models depicting the functions of the heat exchangers in maintaining the thermal balance in the flow through the steady and transient states are made through comparison with results of the experimental analysis.

Research in Computational Astrobiology

NASA Technical Reports Server (NTRS)

Chaban, Galina; Colombano, Silvano; Scargle, Jeff; New, Michael H.; Pohorille, Andrew; Wilson, Michael A.

2003-01-01

We report on several projects in the field of computational astrobiology, which is devoted to advancing our understanding of the origin, evolution and distribution of life in the Universe using theoretical and computational tools. Research projects included modifying existing computer simulation codes to use efficient, multiple time step algorithms, statistical methods for analysis of astrophysical data via optimal partitioning methods, electronic structure calculations on water-nuclei acid complexes, incorporation of structural information into genomic sequence analysis methods and calculations of shock-induced formation of polycylic aromatic hydrocarbon compounds.

The forensic evaluation and report: an agenda for research.

PubMed

Buchanan, Alec; Norko, Michael

2013-01-01

The written report is a central component of forensic psychiatric practice. In the report, an evaluator assembles and organizes data, interprets results of an evaluation, and offers an opinion in response to legal questions. The past 30 years have seen substantial development in principles and practice of forensic report writing. Drawing on recent advances in the psychiatric report, the authors explore topics including narrative, forensic ethics, coercion within the justice system, and implications of limitations on data in forming forensic opinions. They offer an analysis of unanswered questions in these areas, suggesting opportunities for further empirical study and theoretical development. This proposed agenda is important in training, in the development of policy, and in establishing professional guidelines.

Psychometric properties and Confirmatory structure of the Strengths and difficulties questionnaire in a sample of adolescents in Nigeria.

PubMed

Akpa, Onoja M; Afolabi, Rotimi F; Fowobaje, Kayode R

Though the SDQ has been used in selected studies in Nigeria, its theoretical structure has not been fully and appropriately investigated in the setting. The present study employs Exploratory Factor Analysis (EFA) and Confirmatory Factor Analysis (CFA) to investigate the theoretical structure of the self-reported version of the SDQ in a sample of adolescents in Benue state, Nigeria. A total of 1,244 adolescents from different categories of secondary schools in Makurdi and Vandekya Local government areas of Benue state participated in the study. Preliminary data analyses were performed using descriptive statistics while the theoretical structure of the SDQ was assessed using EFA and CFA. Model fits were assessed using Chi-square test and other fit indices at 5% significance level. Participants were 14.19±2.45 (Vandekya) and 14.19±2.45 (Makurdi) years old. Results of the EFA and CFA revealed a 3-factor oblique model as the best model for the sample of adolescents studied ( χ 2 / df =2.20, p<0.001) with all fit indices yielding better results. A correlated 3-factor model fits the present data better than the 5-factor theoretical model of the SDQ. The use of the original 5-factor model of the SDQ in the present setting should be interpreted with caution.

Theoretical DFT study on spectroscopic signature and molecular dynamics of neurotransmitter and effect of hydrogen removal

NASA Astrophysics Data System (ADS)

Mukherjee, V.; Singh, N. P.; Yadav, R. A.

2013-04-01

Vibrational spectroscopic study has been made for the serotonin molecule and its deprotonated form. The Infrared and Raman spectra in optimum geometry of these two molecules are calculated using density functional theorem and the normal modes are assigned using potential energy distributions (PEDs) which are calculated using normal coordinate analysis method. The vibrational frequencies of these two molecules are reported and a comparison has been made. The effect of removal of the hydrogen atom from the serotonin molecule upon its geometry and vibrational frequencies are studied. Electronic structures of these two molecules are also studied using natural bond orbital (NBO) analysis. Theoretical Raman spectrum of serotonin at different exciting laser frequencies and at different temperatures are obtained and the results are discussed. Present study reveals that some wrong assignments had been made for serotonin molecule in earlier study.

Theoretical, thermodynamic and electrochemical analysis of biotin drug as an impending corrosion inhibitor for mild steel in 15% hydrochloric acid

PubMed Central

Xu, Xihua; Sun, Zhipeng; Ansari, K. R.; Lin, Yuanhua

2017-01-01

The corrosion mitigation efficiency of biotin drug for mild steel in 15% hydrochloric acid was thoroughly investigated by weight loss and electrochemical methods. The surface morphology was studied by the contact angle, scanning electrochemical microscopy, atomic force microscopy and scanning electron microscopy methods. Quantum chemical calculation and Fukui analysis were done to correlate the experimental and theoretical data. The influence of the concentration of inhibitor, immersion time, temperature, activation energy, enthalpy and entropy has been reported. The mitigation efficiency of biotin obtained by all methods was in good correlation with each other. Polarization studies revealed that biotin acted as a mixed inhibitor. The adsorption of biotin was found to obey the Langmuir adsorption isotherm. Surface studies showed the hydrophobic nature of the steel with inhibitor and vindicated the formation of a film on the metal surface that reduced the corrosion rate. PMID:29308235

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.

Study of Effects of Sweep on the Flutter of Cantilever Wings

NASA Technical Reports Server (NTRS)

Barmby, J G; Cunningham, H J; Garrick, I E

1951-01-01

An experimental and analytical investigation of the flutter of sweptback cantilever wings is reported. The experiments employed groups of wings swept back by rotating and by shearing. The angle of sweep range from 0 degree to 60 degrees and Mach numbers extended to approximately 0.85. A theoretical analysis of the air forces on an oscillating swept wing of high length-chord ratio is developed, and the approximations inherent in the assumptions are discussed. Comparison with experiment indicates that the analysis developed in the present report is satisfactory for giving the main effects of sweep, at least for nearly uniform cantilever wings of high and moderate length-chord ratios.

Using Activity Theory to Understand the Contradictions in an Online Transatlantic Collaboration between Student-Teachers of English as a Foreign Language

ERIC Educational Resources Information Center

Antoniadou, Victoria

2011-01-01

This article describes the contradictions reported by student-teachers in Barcelona who engaged in telecollaboration with transatlantic peers via Second Life, during their initial training in Teaching English as a Foreign Language. The data analysis draws upon Grounded Theory and is theoretically informed by Activity Theory and the notion of…

How Authors Did It--A Methodological Analysis of Recent Engineering Education Research Papers in the European Journal of Engineering Education

ERIC Educational Resources Information Center

Malmi, Lauri; Adawi, Tom; Curmi, Ronald; de Graaff, Erik; Duffy, Gavin; Kautz, Christian; Kinnunen, Päivi; Williams, Bill

2018-01-01

We investigated research processes applied in recent publications in the "European Journal of Engineering Education" (EJEE), exploring how papers link to theoretical work and how research processes have been designed and reported. We analysed all 155 papers published in EJEE in 2009, 2010 and 2013, classifying the papers using a taxonomy…

A Factor Structure of Wellness: Theory, Assessment, Analysis, and Practice

ERIC Educational Resources Information Center

Hattie, John A.; Myers, Jane E.; Sweeney, Thomas J.

2004-01-01

The Wheel of Wellness, a theoretical model of well-being, incorporates 16 dimensions of healthy functioning that can be assessed using the Wellness Evaluation of Lifestyle (WEL; J. E. Myers, T. J. Sweeney, & J. M. Witmer, 1998). A series of studies are reported concerning the development and validation of the WEL based on a large database. In the…

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…

Refraction corrections for surveying

NASA Technical Reports Server (NTRS)

Lear, W. M.

1980-01-01

Optical measurements of range and elevation angles are distorted by refraction of Earth's atmosphere. Theoretical discussion of effect, along with equations for determining exact range and elevation corrections, is presented in report. Potentially useful in optical site surveying and related applications, analysis is easily programmed on pocket calculator. Input to equation is measured range and measured elevation; output is true range and true elevation.

Relative loading on biplane wings

NASA Technical Reports Server (NTRS)

Diehl, Walter S

1934-01-01

Recent improvements in stress analysis methods have made it necessary to revise and to extend the loading curves to cover all conditions of flight. This report is concerned with a study of existing biplane data by combining the experimental and theoretical data to derive a series of curves from which the lift curves of the individual wings of a biplane may be obtained.

Guidelines and Best Practices for Electrophysiological Data Collection, Analysis and Reporting in Autism

ERIC Educational Resources Information Center

Webb, Sara Jane; Bernier, Raphael; Henderson, Heather A.; Johnson, Mark H.; Jones, Emily J. H.; Lerner, Matthew D.; McPartland, James C.; Nelson, Charles A.; Rojas, Donald C.; Townsend, Jeanne; Westerfield, Marissa

2015-01-01

The EEG reflects the activation of large populations of neurons that act in synchrony and propagate to the scalp surface. This activity reflects both the brain's background electrical activity and when the brain is being challenged by a task. Despite strong theoretical and methodological arguments for the use of EEG in understanding the…

An Analysis of Studies on Effectiveness of Training and Staffing to Help Schools Manage Student Conflict and Alienation. A Report.

ERIC Educational Resources Information Center

Hyman, Irwin A.

A search of the literature was made on the effectiveness of recruitment and selection procedures for identifying and retaining administrators and school staff who are effective in managing student conflict and alienation. A classification scheme devised to fit approaches to school discipline within a theoretical framework includes (1) the…

Analysis of Labor Market Adjustments in the Clerical Temporary Help Market: 1953-1960.

ERIC Educational Resources Information Center

1971

This report is a theoretical and empirical study of the clerical temporary help labor market with particular reference to how that market was affected by changing states of the permanent labor market. Special attention is paid to the hiring process and to the determination of worker quality over the business cycle. Data for the study were obtained…

Objectives Stated for the Use of Literature at School: An Empirical Analysis, Part I.

ERIC Educational Resources Information Center

Klingberg, Gote; Agren, Bengt

This report presents a theoretical basis for literary education through goal analyses. The object of the analyses is to obtain clearer formulations of the subgoals of instruction with the help of literature, and to arrange them in logical sequence. Using 79 sources from 12 countries, an empirical study was made, and goal descriptions were…

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…

Theoretical analysis of the axial growth of nanowires starting with a binary eutectic droplet via vapor-liquid-solid mechanism

NASA Astrophysics Data System (ADS)

Liu, Qing; Li, Hejun; Zhang, Yulei; Zhao, Zhigang

2018-06-01

A series of theoretical analysis is carried out for the axial vapor-liquid-solid (VLS) growth of nanowires starting with a binary eutectic droplet. The growth model considering the entire process of axial VLS growth is a development of the approaches already developed by previous studies. In this model, the steady and unsteady state growth are considered both. The amount of solute species in a variable liquid droplet, the nanowire length, radius, growth rate and all other parameters during the entire axial growth process are treated as functions of growth time. The model provides theoretical predictions for the formation of nanowire shape, the length-radius and growth rate-radius dependences. It is also suggested by the model that the initial growth of single nanowire is significantly affected by Gibbs-Thompson effect due to the shape change. The model was applied on predictions of available experimental data of Si and Ge nanowires grown from Au-Si and Au-Ge systems respectively reported by other works. The calculations with the proposed model are in satisfactory agreement with the experimental results of the previous works.

Two dimensional kinetic analysis of electrostatic harmonic plasma waves

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

Fonseca-Pongutá, E. C.; Ziebell, L. F.; Gaelzer, R.

2016-06-15

Electrostatic harmonic Langmuir waves are virtual modes excited in weakly turbulent plasmas, first observed in early laboratory beam-plasma experiments as well as in rocket-borne active experiments in space. However, their unequivocal presence was confirmed through computer simulated experiments and subsequently theoretically explained. The peculiarity of harmonic Langmuir waves is that while their existence requires nonlinear response, their excitation mechanism and subsequent early time evolution are governed by essentially linear process. One of the unresolved theoretical issues regards the role of nonlinear wave-particle interaction process over longer evolution time period. Another outstanding issue is that existing theories for these modes aremore » limited to one-dimensional space. The present paper carries out two dimensional theoretical analysis of fundamental and (first) harmonic Langmuir waves for the first time. The result shows that harmonic Langmuir wave is essentially governed by (quasi)linear process and that nonlinear wave-particle interaction plays no significant role in the time evolution of the wave spectrum. The numerical solutions of the two-dimensional wave spectra for fundamental and harmonic Langmuir waves are also found to be consistent with those obtained by direct particle-in-cell simulation method reported in the literature.« less

GEOS-2 refraction program summary document. [ionospheric and tropospheric propagation errors in satellite tracking instruments

NASA Technical Reports Server (NTRS)

Mallinckrodt, A. J.

1977-01-01

Data from an extensive array of collocated instrumentation at the Wallops Island test facility were intercompared in order to (1) determine the practical achievable accuracy limitations of various tropospheric and ionospheric correction techniques; (2) examine the theoretical bases and derivation of improved refraction correction techniques; and (3) estimate internal systematic and random error levels of the various tracking stations. The GEOS 2 satellite was used as the target vehicle. Data were obtained regarding the ionospheric and tropospheric propagation errors, the theoretical and data analysis of which was documented in some 30 separate reports over the last 6 years. An overview of project results is presented.

Novel optical gyroscope: proof of principle demonstration and future scope

PubMed Central

Srivastava, Shailesh; Rao D. S., Shreesha; Nandakumar, Hari

2016-01-01

We report the first proof-of-principle demonstration of the resonant optical gyroscope with reflector that we have recently proposed. The device is very different from traditional optical gyroscopes since it uses the inherent coupling between the clockwise and counterclockwise propagating waves to sense the rotation. Our demonstration confirms our theoretical analysis and simulations. We also demonstrate a novel method of biasing the gyroscope using orthogonal polarization states. The simplicity of the structure and the readout method, the theoretically predicted high sensitivities (better than 0.001 deg/hr), and the possibility of further performance enhancement using a related laser based active device, all have immense potential for attracting fresh research and technological initiatives. PMID:27694987

The study of theoretical and experimental feasibilities of the rocket fuel components ignition by laser radiation

NASA Astrophysics Data System (ADS)

Belyaev, Vadim S.; Guterman, Vitaly Y.; Ivanov, Anatoly V.

2004-06-01

The report presents the theoretical and experimental results obtained during the first year of the ISTC project No. 1926. The energy and temporal characteristics of the laser radiation necessary to ignite the working components mixture in a rocket engine combustion chamber have been predicted. Two approaches have been studied: the optical gas fuel laser-induced breakdown; the laser-initiated plasma torch on target surface. The possibilities and conditions of the rocket fuel components ignition by a laser beam in the differently designed combustion chambers have been estimated and studied. The comparative analysis shows that both the optical spark and light focusing on target techniques can ignite the mixture.

Acoustic invisibility cloaks of arbitrary shapes for complex background media

NASA Astrophysics Data System (ADS)

Zhu, Jian; Chen, Tianning; Liang, Qingxuan; Wang, Xiaopeng; Xiong, Jie; Jiang, Ping

2016-04-01

We report on the theoretical investigation of the acoustic cloaks working in complex background media in this paper. The constitutive parameters of arbitrary-shape cloaks are derived based on the transformation acoustic theory and coordinate transformation technique. The detailed analysis of boundaries conditions and potential applications of the cloaks are also presented in our work. To overcome the difficulty of achieving the materials with ideal parameters in nature, concentric alternating layered isotropic materials is adopted to approximate the required properties of the cloak. Theoretical design and excellent invisibility are demonstrated by numerical simulations. The inhomogeneous medium and arbitrary-shape acoustic cloaks grow closer to real application and may be a new hot spot in future.

Theoretical analysis of Lumry-Eyring models in differential scanning calorimetry

PubMed Central

Sanchez-Ruiz, Jose M.

1992-01-01

A theoretical analysis of several protein denaturation models (Lumry-Eyring models) that include a rate-limited step leading to an irreversibly denatured state of the protein (the final state) has been carried out. The differential scanning calorimetry transitions predicted for these models can be broadly classified into four groups: situations A, B, C, and C′. (A) The transition is calorimetrically irreversible but the rate-limited, irreversible step takes place with significant rate only at temperatures slightly above those corresponding to the transition. Equilibrium thermodynamics analysis is permissible. (B) The transition is distorted by the occurrence of the rate-limited step; nevertheless, it contains thermodynamic information about the reversible unfolding of the protein, which could be obtained upon the appropriate data treatment. (C) The heat absorption is entirely determined by the kinetics of formation of the final state and no thermodynamic information can be extracted from the calorimetric transition; the rate-determining step is the irreversible process itself. (C′) same as C, but, in this case, the rate-determining step is a previous step in the unfolding pathway. It is shown that ligand and protein concentration effects on transitions corresponding to situation C (strongly rate-limited transitions) are similar to those predicted by equilibrium thermodynamics for simple reversible unfolding models. It has been widely held in recent literature that experimentally observed ligand and protein concentration effects support the applicability of equilibrium thermodynamics to irreversible protein denaturation. The theoretical analysis reported here disfavors this claim. PMID:19431826

Fractography of modern engineering materials: composites and metals

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

Masters, J.E.; Au, J.J.

1987-01-01

The fractographic analysis of fracture surfaces in composites and metals is discussed in reviews and reports of recent theoretical and experimental investigations. Topics addressed include fracture-surface micromorphology in engineering solids, SEM fractography of pure and mixed-mode interlaminar fractures in graphite/epoxy composites, determination of crack propagation directions in graphite/epoxy structures, and the fracture surfaces of irradiated composites. Consideration is given to fractographic feature identification and characterization by digital imaging analysis, fractography of pressure-vessel steel weldments, the micromechanisms of major/minor cycle fatigue crack growth in Inconel 718, and fractographic analysis of hydrogen-assisted cracking in alpha-beta Ti alloys.

Self-report measure of financial exploitation of older adults.

PubMed

Conrad, Kendon J; Iris, Madelyn; Ridings, John W; Langley, Kate; Wilber, Kathleen H

2010-12-01

this study was designed to improve the measurement of financial exploitation (FE) by testing psychometric properties of the older adult financial exploitation measure (OAFEM), a client self-report instrument. rasch item response theory and traditional validation approaches were used. Questionnaires were administered by 22 adult protective services investigators from 7 agencies in Illinois to 227 substantiated abuse clients. Analyses included tests for dimensionality, model fit, and additional construct validation. Results from the OAFEM were also compared with the substantiation decision of abuse and with investigators' assessments of FE using a staff report version. Hypotheses were generated to test hypothesized relationships. the OAFEM, including the original 79-, 54-, and 30-item measures, met stringent Rasch analysis fit and unidimensionality criteria and had high internal consistency and item reliability. The validation results were supportive, while leading to reconsideration of aspects of the hypothesized theoretical hierarchy. Thresholds were suggested to demonstrate levels of severity. the measure is now available to aid in the assessment of FE of older adults by both clinicians and researchers. Theoretical refinements developed using the empirically generated item hierarchy may help to improve assessment and intervention.

Optimality conditions for the numerical solution of optimization problems with PDE constraints :

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

Aguilo Valentin, Miguel Alejandro; Ridzal, Denis

2014-03-01

A theoretical framework for the numerical solution of partial di erential equation (PDE) constrained optimization problems is presented in this report. This theoretical framework embodies the fundamental infrastructure required to e ciently implement and solve this class of problems. Detail derivations of the optimality conditions required to accurately solve several parameter identi cation and optimal control problems are also provided in this report. This will allow the reader to further understand how the theoretical abstraction presented in this report translates to the application.

A study on the correlation between the dewetting temperature of Ag film and SERS intensity.

PubMed

Quan, Jiamin; Zhang, Jie; Qi, Xueqiang; Li, Junying; Wang, Ning; Zhu, Yong

2017-11-07

The thermally dewetted metal nano-islands have been actively investigated as cost-effective SERS-active substrates with a large area, good reproducibility and repeatability via simple fabrication process. However, the correlation between the dewetting temperature of metal film and SERS intensity hasn't been systematically studied. In this work, taking Ag nano-islands (AgNIs) as an example, we reported a strategy to investigate the correlation between the dewetting temperature of metal film and SERS intensity. We described the morphology evolution of AgNIs on the SiO 2 planar substrate in different temperatures and got the quantitative information in surface-limited diffusion process (SLDP) as a function of annealing temperature via classical mean-field nucleation theory. Those functions were further used in the simulation of electromagnetic field to obtain the correlation between the dewetting temperature of Ag film and theoretical analysis. In addition, Raman mapping was done on samples annealed at different temperatures, with R6G as an analyte, to accomplish the analysis of the correlation between the dewetting temperature of Ag film and SERS intensity, which is consistent with the theoretical analysis. For SLDP, we used the morphological characterization of five samples prepared by different annealing temperatures to successfully illustrate the change in SERS intensity with the temperature fluctuation, obtaining a small deviation between the experimental results and theoretic prediction.

Nonlinear elastic response of strong solids: First-principles calculations of the third-order elastic constants of diamond

DOE PAGES

Hmiel, A.; Winey, J. M.; Gupta, Y. M.; ...

2016-05-23

Accurate theoretical calculations of the nonlinear elastic response of strong solids (e.g., diamond) constitute a fundamental and important scientific need for understanding the response of such materials and for exploring the potential synthesis and design of novel solids. However, without corresponding experimental data, it is difficult to select between predictions from different theoretical methods. Recently the complete set of third-order elastic constants (TOECs) for diamond was determined experimentally, and the validity of various theoretical approaches to calculate the same may now be assessed. We report on the use of density functional theory (DFT) methods to calculate the six third-order elasticmore » constants of diamond. Two different approaches based on homogeneous deformations were used: (1) an energy-strain fitting approach using a prescribed set of deformations, and (2) a longitudinal stress-strain fitting approach using uniaxial compressive strains along the [100], [110], and [111] directions, together with calculated pressure derivatives of the second-order elastic constants. The latter approach provides a direct comparison to the experimental results. The TOECs calculated using the energy-strain approach differ significantly from the measured TOECs. In contrast, calculations using the longitudinal stress-uniaxial strain approach show good agreement with the measured TOECs and match the experimental values significantly better than the TOECs reported in previous theoretical studies. Lastly, our results on diamond have demonstrated that, with proper analysis procedures, first-principles calculations can indeed be used to accurately calculate the TOECs of strong solids.« less

Is It Necessary to Articulate a Research Methodology When Reporting on Theoretical Research?

ERIC Educational Resources Information Center

Smith, Juliana; Small, Rosalie

2017-01-01

In this paper the authors share their insights on whether it is necessary to articulate a research methodology when reporting on theoretical research. Initially the authors, one being a supervisor and the other, a PhD student and a colleague, were confronted with the question during supervision and writing of a thesis on theoretical research.…

High Energy Astrophysics Program

NASA Technical Reports Server (NTRS)

1996-01-01

This report reviews activities performed by members of the USRA (Universities Space Research Association) contract team during the six months during the reporting period (10/95 - 3/96) and projected activities during the coming six months. Activities take place at the Goddard Space Flight Center, within the Laboratory for High Energy Astrophysics. Developments concern instrumentation, observation, data analysis, and theoretical work in Astrophysics. Missions supported include: Advanced Satellite for Cosmology and Astrophysics (ASCA), X-ray Timing Experiment (XTE), X-ray Spectrometer (XRS), Astro-E, High Energy Astrophysics Science, Archive Research Center (HEASARC), and others.

Research methodology in dentistry: Part II — The relevance of statistics in research

PubMed Central

Krithikadatta, Jogikalmat; Valarmathi, Srinivasan

2012-01-01

The lifeline of original research depends on adept statistical analysis. However, there have been reports of statistical misconduct in studies that could arise from the inadequate understanding of the fundamental of statistics. There have been several reports on this across medical and dental literature. This article aims at encouraging the reader to approach statistics from its logic rather than its theoretical perspective. The article also provides information on statistical misuse in the Journal of Conservative Dentistry between the years 2008 and 2011 PMID:22876003

Space Tug Docking Study. Volume 5: Cost Analysis

NASA Technical Reports Server (NTRS)

1976-01-01

The cost methodology, summary cost data, resulting cost estimates by Work Breakdown Structure (WBS), technical characteristics data, program funding schedules and the WBS for the costing are discussed. Cost estimates for two tasks of the study are reported. The first, developed cost estimates for design, development, test and evaluation (DDT&E) and theoretical first unit (TFU) at the component level (Level 7) for all items reported in the data base. Task B developed total subsystem DDT&E costs and funding schedules for the three candidate Rendezvous and Docking Systems: manual, autonomous, and hybrid.

A review of the liquid metal diffusion data obtained from the space shuttle endeavour mission STS-47 and the space shuttle columbia mission STS-52

NASA Astrophysics Data System (ADS)

Shirkhanzadeh, Morteza

Accurate data of liquid-phase solute diffusion coefficients are required to validate the condensed -matter physics theories. However, the required data accuracy to discriminate between com-peting theoretical models is 1 to 2 percent(1). Smith and Scott (2) have recently used the measured values of diffusion coefficients for Pb-Au in microgravity to validate the theoretical values of the diffusion coefficients derived from molecular dynamics simulations and several Enskog hard sphere models. The microgravity data used was obtained from the liquid diffusion experiments conducted on board the Space Shuttle Endeavour (mission STS-47) and the Space Shuttle Columbia (mission STS-52). Based on the analysis of the results, it was claimed that the measured values of diffusion coefficients were consistent with the theoretical results and that the data fit a linear relationship with a slope slightly greater than predicted by the molecular dynamics simulations. These conclusions, however, contradict the claims made in previous publications (3-5) where it was reported that the microgravity data obtained from the shuttle experiments fit the fluctuation theory (D proportional to T2). A thorough analysis of data will be presented to demonstrate that the widely-reported micro-gravity results obtained from shuttle experiments are not reliable and sufficiantly accurate to discriminate between competing theoretical models. References: 1. J.P. Garandet, G. Mathiak, V. Botton, P. Lehmann and A. Griesche, Int. J. Thermophysics, 25, 249 (2004). 2.P.J. Scott and R.W. Smith, J. Appl. Physics 104, 043706 (2008). 3. R.W. Smith, Microgravity Sci. Technol. XI (2) 78-84 (1998). 4.Smith et al, Ann. N.Y. Acad. Sci. 974:56-67 (2002) (retracted). 5.R.A. Herring et al, J. Jpn. Soc. Microgravity Appl., Vol.16, 234-244 (1999).

Netflow Theory Manual

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

Bozinoski, Radoslav; Winters, William

2016-01-01

The purpose of this report is to document the theoretical models utilized by the computer code NETFLOW. This report will focus on the theoretical models used to analyze high Mach number fully compressible transonic flows in piping networks.

Evaluation of the potential for hysteresis in index-velocity ratings for the Chicago Sanitary and Ship Canal near Lemont, Illinois

USGS Publications Warehouse

Jackson, P. Ryan; Sinha, Sumit; Dutta, Som; Johnson, Kevin K.; Duncker, James J.; Garcia, Marcelo H.

2013-01-01

The U.S. Geological Survey (USGS) is responsible for monitoring flows in the Chicago Sanitary and Ship Canal (CSSC) near Lemont, Illinois, as a part of the Lake Michigan Diversion Accounting overseen by the U.S. Army Corps of Engineers, Chicago District. Lake Michigan Diversion Accounting is mandated by a U.S. Supreme Court decree in order to monitor, and limit, the State of Illinois’ annual diversion of Great Lakes water through the manmade CSSC. Every 5 years, a technical review committee consisting of practicing engineers and academics reviews USGS streamgaging practices in the CSSC near Lemont, Illinois. The sixth technical review committee expressed concern that the index-velocity rating—the method used to estimate mean cross-sectional velocity from a measured index velocity—may be subject to hysteresis at this site because of the unique, unsteady hydraulics of the canal. Hysteresis in index-velocity ratings can occur at sites where the flow distribution in the channel varies significantly between the rising and falling limbs of the hydrograph for the same discharge. Presently, hysteresis in index-velocity ratings has been documented only in tidally affected sites. This report investigates whether hysteresis can occur at this nontidal site, and the conditions under which it is likely to occur, by using both a theoretical approach and a three-dimensional hydrodynamic model. The theoretical analysis investigated the conditions required for hysteresis in the index-velocity rating, and the modeling analysis focused on the effect of the timing of the inflows from the CSSC and the Cal-Sag Channel on the potential for hysteresis and whether highly resolved simulations of actual high-flow events show any evidence of hysteresis. Based on both a theoretical analysis using observed historical data and an analysis using a three-dimensional hydrodynamic model, there is no conclusive evidence for the existence of hysteresis in the index-velocity rating at the USGS streamgage on the CSSC near Lemont, Illinois. Although the theoretical analysis indicated the possibility of hysteresis at this site, the hydrodynamic conditions required to generate hysteresis are not present at this site based on historical data. Ongoing streamgaging practices at this site will use the information in this report and include periodic assessment of the index-velocity rating for any signs of hysteresis that might result from future changes to the operation of this manmade canal.

Research Directions in Real-Time Systems.

DTIC Science & Technology

1996-09-01

This report summarizes a survey of published research in real time systems . Material is presented that provides an overview of the topic, focusing on...communications protocols and scheduling techniques. It is noted that real - time systems deserve special attention separate from other areas because of...formal tools for design and analysis of real - time systems . The early work on applications as well as notable theoretical advances are summarized

An Automaton Analysis of the Learning of a Miniature System of Japanese. Psychology Series.

ERIC Educational Resources Information Center

Wexler, Kenneth Norman

The purpose of the study reported here was to do an automata-theoretical and experimental investigation of the learning of the syntax and semantics of a second natural language. The main thrust of the work was to ask what kind of automaton a person can become. Various kinds of automata were considered, predictions were made from them, and these…

Report on the Domestic Natural Disaster Health Workforce

DTIC Science & Technology

2011-11-30

DEMPS volunteers are required to review and ensure that their information in the DEMPs database is current and complete on a quarterly basis. Retiring...emergency and critical-care nurses; and (3) paramedics. • Uses a pilot case study focusing on a theoretical major earthquake scenario in the ... on the three core occupational sub- groups. • Incorporates feedback from a multi-stakeholder conference. This landscape analysis supports

Decoding the Principles of Emergence and Resiliency in Biological Collective Systems - A Multi-Scale Approach: Final Report

DTIC Science & Technology

2018-02-15

models and approaches are also valid using other invasive and non - invasive technologies. Finally, we illustrate and experimentally evaluate this...2017 Project Outline q  Pattern formation diversity in wild microbial societies q  Experimental and mathematical analysis methodology q  Skeleton...chemotaxis, nutrient degradation, and the exchange of amino acids between cells. Using both quantitative experimental methods and several theoretical

A "New" Approach to Local Labor Market Analysis: A Feasibility Study.

ERIC Educational Resources Information Center

Goldfarb, Robert; Hamermesh, Daniel

This report describes research on the New Haven labor market carried out during the summer and fall of 1969 and the spring of 1970. The aims of the research were to develop further the theoretical approach to micro-labor economics in a local labor market and to test the feasibility of collecting data from local firms which could be used to test…

COED Transactions, Vol. X, No. 6, June 1978. Concentric-Tube Heat Exchanger Analysis and Data Reduction.

ERIC Educational Resources Information Center

Marcovitz, Alan B., Ed.

Four computer programs written in FORTRAN and BASIC develop theoretical predictions and data reduction for a junior-senior level heat exchanger experiment. Programs may be used at the terminal in the laboratory to check progress of the experiment or may be used in the batch mode for interpretation of final information for a formal report. Several…

Artifacts Of Spectral Analysis Of Instrument Readings

NASA Technical Reports Server (NTRS)

Wise, James H.

1995-01-01

Report presents experimental and theoretical study of some of artifacts introduced by processing outputs of two nominally identical low-frequency-reading instruments; high-sensitivity servo-accelerometers mounted together and operating, in conjunction with signal-conditioning circuits, as seismometers. Processing involved analog-to-digital conversion with anti-aliasing filtering, followed by digital processing including frequency weighting and computation of different measures of power spectral density (PSD).

Theory and Tests of Two-Phase Turbines

NASA Technical Reports Server (NTRS)

Elliott, D. G.

1986-01-01

New turbines open possibility of new types of power cycles. Report describes theoretical analysis and experimental testing of two-phase impulse turbines. Such turbines open possibility of new types of power cycles operating with extremely wet mixtures of steam and water, organic fluids, or immiscible liquids and gases. Possible applications are geothermal power, waste-heat recovery, refrigerant expansion, solar conversion, transportation, and engine-bottoming cycles.

Spectral analysis, vibrational assignments, NBO analysis, NMR, UV-Vis, hyperpolarizability analysis of 2-aminofluorene by density functional theory.

PubMed

Jone Pradeepa, S; Sundaraganesan, N

2014-05-05

In this present investigation, the collective experimental and theoretical study on molecular structure, vibrational analysis and NBO analysis has been reported for 2-aminofluorene. FT-IR spectrum was recorded in the range 4000-400 cm(-1). FT-Raman spectrum was recorded in the range 4000-50 cm(-1). The molecular geometry, vibrational spectra, and natural bond orbital analysis (NBO) were calculated for 2-aminofluorene using Density Functional Theory (DFT) based on B3LYP/6-31G(d,p) model chemistry. (13)C and (1)H NMR chemical shifts of 2-aminofluorene were calculated using GIAO method. The computed vibrational and NMR spectra were compared with the experimental results. The total energy distribution (TED) was derived to deepen the understanding of different modes of vibrations contributed by respective wavenumber. The experimental UV-Vis spectra was recorded in the region of 400-200 nm and correlated with simulated spectra by suitably solvated B3LYP/6-31G(d,p) model. The HOMO-LUMO energies were measured with time dependent DFT approach. The nonlinearity of the title compound was confirmed by hyperpolarizabilty examination. Using theoretical calculation Molecular Electrostatic Potential (MEP) was investigated. Copyright © 2014 Elsevier B.V. All rights reserved.

A high-temperature wideband pressure transducer

NASA Technical Reports Server (NTRS)

Zuckerwar, A. J.

1975-01-01

Progress in the development of a pressure transducer for measurement of the pressure fluctuations in the high temperature environment of a jet exhaust is reported. A condenser microphone carrier system was adapted to meet the specifications. A theoretical analysis is presented which describes the operation of the condenser microphone in terms of geometry, materials, and other physical properties. The analysis was used as the basis for design of a prototype high temperature microphone. The feasibility of connecting the microphone to a converter over a high temperature cable operating as a half-wavelength transmission line was also examined.

Receiver design, performance analysis, and evaluation for space-borne laser altimeters and space-to-space laser ranging systems

NASA Technical Reports Server (NTRS)

Davidson, Frederic M.; Field, Christopher T.; Sun, Xiaoli

1996-01-01

We report here the design and the performance measurements of the breadboard receiver of the Geoscience Laser Altimeter System (GLAS). The measured ranging accuracy was better than 2 cm and 10 cm for 5 ns and 30 ns wide received laser pulses under the expected received signal level, which agreed well with the theoretical analysis. The measured receiver sensitivity or the link margin was also consistent with the theory. The effects of the waveform digitizer sample rate and resolution were also measured.

Multimode excitation-induced phase shifts in intrinsic Fabry-Perot interferometric fiber sensor spectra.

PubMed

Ma, Cheng; Wang, Anbo

2010-09-01

We report the modal analysis of optical fiber single-mode-multimode-single-mode intrinsic Fabry-Perot interferometer sensors. The multimode nature of the Fabry-Perot cavity gives rise to an additional phase term in the spectrogram due to intermodal dispersion-induced wavefront distortion, which could significantly affect the cavity length demodulation accuracy. By using an exact model to analyze the modal behavior, this phase term is explained by employing a rotating vector approach. Comparison of the theoretical analysis with experimental results is presented.

Experimental verification of a new laminar airfoil: A project for the graduate program in aeronautics

NASA Technical Reports Server (NTRS)

Nicks, Oran W.; Korkan, Kenneth D.

1991-01-01

Two reports on student activities to determine the properties of a new laminar airfoil which were delivered at a conference on soaring technology are presented. The papers discuss a wind tunnel investigation and analysis of the SM701 airfoil and verification of the SM701 airfoil aerodynamic charcteristics utilizing theoretical techniques. The papers are based on a combination of analytical design, hands-on model fabrication, wind tunnel calibration and testing, data acquisition and analysis, and comparison of test results and theory.

Molecular structure, spectral studies, NBO, HOMO-LUMO profile, MEP and Mulliken analysis of 3β,6β-dichloro-5α-hydroxy-5α-cholestane

NASA Astrophysics Data System (ADS)

Alam, Mahboob; Park, Soonheum

2018-05-01

The synthesis of 3β,6β-dichloro-5α-hydroxy-5α-cholestane (in general, steroidal chlorohydrin or steroidal halohydrin) and theoretical study of the structure are reported in this paper. The individuality of chlorohydrin was confirmed by FT-IR, NMR, MS, CHN microanalysis and X-ray crystallography. DFT calculations on the titled molecule have been performed. The molecular structure and spectra explained by Gaussian hybrid computational analysis theory (B3LYP) are found to be in correlation with the experimental data obtained from the various spectrophotometric techniques. The theoretical geometry optimization data were compared with the X-ray data. The vibrational bands appearing in the FT-IR are assigned with accuracy using harmonic frequencies along with intensities and animated modes. Molecular properties like NBO, HOMO-LUMO analysis, chemical reactivity descriptors, MEP mapping and dipole moment have been dealt at same level of theory. The calculated electronic spectrum of chlorohydrin is interpreted on the basis of TD-DFT calculations.

The new 3-(tert-butyl)-1-(2-nitrophenyl)-1H-pyrazol-5-amine: Experimental and computational studies

NASA Astrophysics Data System (ADS)

Cuenú, Fernando; Muñoz-Patiño, Natalia; Torres, John Eduard; Abonia, Rodrigo; Toscano, Rubén A.; Cobo, J.

2017-11-01

The molecular and supramolecular structure of the title compound, 3-(tertbutyl)-1-(2-nitrophenyl)-1H-pyrazol-5-amine (2NPz) from the single crystal X-ray diffraction (SC-XRD) and spectroscopic data analysis is reported. The computational analysis of the structure, geometry optimization, vibrational frequencies, nuclear magnetic resonance and UV-Vis is also described and compared with experimental data. Satisfactory theoretical aspects were made for the molecule using density functional theory (DFT), with B3LYP and B3PW91 functionals, and Hartree-Fock (HF), with 6-311++G(d,p) basis set, using GAUSSIAN 09 program package without any constraint on the geometry. With VEDA 4 software, vibrational frequencies were assigned in terms of the potential energy distribution while, with the GaussSum software, the percentage contribution of the frontier orbitals at each transition of the electronic absorption spectrum was established. The obtained results indicated that optimized geometry could well reflect the molecular structural parameters from SC-XRD. Theoretical data obtained for the vibrational analysis and NMR spectra are consistent with experimental data.

Chemical Research--Radiochemistry Report for Month Ending April 17, 1943

DOE R&D Accomplishments Database

Franck, J. Division Director

1952-01-01

1. A continuation of the detailed analysis of beta and soft and hard gamma activity associated with all fission product elements in a nitrate bombardment is presented. The ?cooling? time has been extended to 170 days. The data for the individual elements are presented in tables as counts/min and in figures as percentage of total beta, soft gamma, and hard gamma radiations. 2. Calculations and graphs have been made on the heat generated by the longer-lived fission products. The method of analysis is presented. 3. Two new short-lived Rh fission product activities have been found. They are probably the daughters of the two long-lived Ru activities (30d, 200d). Re-evaluation of data on 43 leads to the conclusion that the longest lived 43 activity in measureable yields is the 6.1h (formerly 6.6h). New parent-daughter relationships in the rare-earth activities are given. 4. Theoretical beta absorption curves have been made using the Fermi distribution function and linear absorption curves for small energy intervals. A Feather analysis of the absorption curve leads to the theoretical maximum energy.

Psychosocial factors, musculoskeletal disorders and work-related fatigue amongst nurses in Brunei: structural equation model approach.

PubMed

Abdul Rahman, Hanif; Abdul-Mumin, Khadizah; Naing, Lin

2017-09-01

Psychosocial factors, musculoskeletal disorders and work-related fatigue have adverse effects on individual nurses and place a substantial financial burden on health care. Evidence of an association has been reported in the literature, but no theoretical explanation has been published to date. To explore and develop a structural model to provide a theoretical explanation for this relationship. A cross-sectional study using data from 201 valid samples of emergency and critical care nurses across public hospitals in Brunei was performed via self-administered questionnaire. The structural equation model was assessed using partial least squares analysis. A valid and robust structural model was constructed. This revealed that 61.5% of the variance in chronic fatigue could be explained by psychosocial factors and musculoskeletal disorders pathways. Among the psychosocial factors, work-family conflict was identified as a key mediator for progression of musculoskeletal problems and subsequent fatigue through stress and burnout. This report provides a novel theoretical contribution to understanding the relationship between psychosocial factors, musculoskeletal disorders and work-related fatigue. These preliminary results may be useful for future studies on the development of work-related fatigue and musculoskeletal disorders, particularly the central role of work-family conflict. Copyright © 2017 Elsevier Ltd. All rights reserved.

Predicting phenolic acid absorption in Caco-2 cells: a theoretical permeability model and mechanistic study.

PubMed

Farrell, Tracy L; Poquet, Laure; Dew, Tristan P; Barber, Stuart; Williamson, Gary

2012-02-01

There is a considerable need to rationalize the membrane permeability and mechanism of transport for potential nutraceuticals. The aim of this investigation was to develop a theoretical permeability equation, based on a reported descriptive absorption model, enabling calculation of the transcellular component of absorption across Caco-2 monolayers. Published data for Caco-2 permeability of 30 drugs transported by the transcellular route were correlated with the descriptors 1-octanol/water distribution coefficient (log D, pH 7.4) and size, based on molecular mass. Nonlinear regression analysis was used to derive a set of model parameters a', β', and b' with an integrated molecular mass function. The new theoretical transcellular permeability (TTP) model obtained a good fit of the published data (R² = 0.93) and predicted reasonably well (R² = 0.86) the experimental apparent permeability coefficient (P(app)) for nine non-training set compounds reportedly transported by the transcellular route. For the first time, the TTP model was used to predict the absorption characteristics of six phenolic acids, and this original investigation was supported by in vitro Caco-2 cell mechanistic studies, which suggested that deviation of the P(app) value from the predicted transcellular permeability (P(app)(trans)) may be attributed to involvement of active uptake, efflux transporters, or paracellular flux.

Food insecurity: A concept analysis

PubMed Central

Schroeder, Krista; Smaldone, Arlene

2015-01-01

Aim To report an analysis of the concept of food insecurity, in order to 1) propose a theoretical model of food insecurity useful to nursing and 2) discuss its implications for nursing practice, nursing research, and health promotion. Background Forty eight million Americans are food insecure. As food insecurity is associated with multiple negative health effects, nursing intervention is warranted. Design Concept Analysis Data sources A literature search was conducted in May 2014 in Scopus and MEDLINE using the exploded term “food insecur*.” No year limit was placed. Government websites and popular media were searched to ensure a full understanding of the concept. Review Methods Iterative analysis, using the Walker and Avant method Results Food insecurity is defined by uncertain ability or inability to procure food, inability to procure enough food, being unable to live a healthy life, and feeling unsatisfied. A proposed theoretical model of food insecurity, adapted from the Socio-Ecological Model, identifies three layers of food insecurity (individual, community, society), with potential for nursing impact at each level. Conclusion Nurses must work to fight food insecurity. There exists a potential for nursing impact that is currently unrealized. Nursing impact can be guided by a new conceptual model, Food Insecurity within the Nursing Paradigm. PMID:25612146

Conformational, spectroscopic and nonlinear optical properties of biologically active N,N-dimethyltryptamine molecule: A theoretical study

NASA Astrophysics Data System (ADS)

Öner, Nazmiye; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf

2014-12-01

The effective psychoactive properties of N,N-dimethyltryptamine (DMT) known as the near-death molecule have encouraged the imagination of many research disciplines for several decades. Although there is no theoretical study, a number of paper composed by experimental techniques have been reported for DMT molecule. In this study, the molecular modeling of DMT was carried out using B3LYP and HSEh1PBE levels of density functional theory (DFT). Our calculations showed that the energy gap between HOMO and LUMO is low, demonstrating that DMT is a biologically active molecule. Large hyperconjugation interaction energies imply that molecular charge transfer occurs in DMT. Moreover, NLO analysis indicates that DMT can be used an effective NLO material.

Long-term radiation effects on GaAs solar cell characteristics

NASA Technical Reports Server (NTRS)

Heinbockel, J. H.; Doviak, M. J.

1978-01-01

This report investigates preliminary design considerations which should be considered for a space experiment involving Gallium Arsenide (GaAs) solar cells. The electron radiation effects on GaAs solar cells were conducted in a laboratory environment, and a statistical analysis of the data is presented. In order to augment the limited laboratory data, a theoretical investigation of the effect of radiation on GaAs solar cells is also developed. The results of this study are empirical prediction equations which can be used to estimate the actual damage of electrical characteristics in a space environment. The experimental and theoretical studies also indicate how GaAs solar cell parameters should be designed in order to withstand the effects of electron radiation damage.

Epidemiology as discourse: the politics of development institutions in the Epidemiological Profile of El Salvador

PubMed Central

Aviles, L

2001-01-01

STUDY OBJECTIVE—To determine the ways in which institutions devoted to international development influence epidemiological studies.
DESIGN—This article takes a descriptive epidemiological study of El Salvador, Epidemiological Profile, conducted in 1994 by the US Agency for International Development, as a case study. The methods include discourse analysis in order to uncover the ideological basis of the report and its characteristics as a discourse of development.
SETTING—El Salvador.
RESULTS—The Epidemiological Profile theoretical basis, the epidemiological transition theory, embodies the ethnocentrism of a "colonizer's model of the world." This report follows the logic of a discourse of development by depoliticising development, creating abnormalities, and relying on the development consulting industry. The epidemiological transition theory serves as an ideology that legitimises and dissimulates the international order.
CONCLUSIONS—Even descriptive epidemiological assessments or epidemiological profiles are imbued with theoretical assumptions shaped by the institutional setting under which epidemiological investigations are conducted.


Keywords: El Salvador; politics PMID:11160170

Lessons learned or lessons noted: A retrospective case study of the stored organizational memory of the causes of mishaps in NASA

NASA Astrophysics Data System (ADS)

Miller, Susan Burgess

This study of the National Aeronautics and Space Administration's (NASA) organizational memory explores how the root causes of NASA mishaps have changed from the creation of NASA in 1958 through 2002. Official Mishap Board Reports document in stored organizational memory the organization's analyses of the causes of the mishaps. Using Parsons' Social Action Theory for its theoretical frame, and the Schwandt Organizational Learning Systems Model as the theoretical lens, this study provides a meta-analysis of 112 Type A mishap reports to discern what patterns in this stored organizational memory have emerged over time. Results indicate marked stability in the causes of mishaps until the latter portion of the study period. The theory of revolutionary change is considered to explain this apparent shift. Discussion includes the roles organizational culture, sensemaking and identity played in data collection and knowledge management challenges as well as in the lack of change in mishap causes.

Counteracting moment device for reduction of earthquake-induced excursions of multi-level buildings.

PubMed

Nagaya, K; Fukushima, T; Kosugi, Y

1999-05-01

A vibration-control mechanism for beams and columns was presented in our previous report in which the earthquake force was transformed into a vibration-control force by using a gear train mechanism. In our previous report, however, only the principle of transforming the earthquake force into the control force was presented; the discussion for real structures and the design method were not presented. The present article provides a theoretical analysis of the column which is used in multi-layered buildings. Experimental tests were carried out for a model of multi-layered buildings in the frequency range of a principal earthquake wave. Theoretical results are compared to the experimental data. The optimal design of the control mechanism, which is of importance in the column design, is presented. Numerical calculations are carried out for the optimal design. It is shown that vibrations of the column involving the mechanism are suppressed remarkably. The optimal design method and the analytical results are applicable to the design of the column.

The transfer of theoretical knowledge to clinical practice by nursing students and the difficulties they experience: A qualitative study.

PubMed

Günay, Ulviye; Kılınç, Gülsen

2018-06-01

Nursing education contains both theoretical and practical training processes. Clinical training is the basis of nursing education. The quality of clinical training is closely related to the quality of the clinical learning environment. This study aimed to determine the transfer of theoretical knowledge into clinical practice by nursing students and the difficulties they experience during this process. A qualitative research design was used in the study. The study was conducted in 2015 with 30 nursing students in a university located in the east of Turkey, constituting three focus groups. The questions directed to the students during the focus group interviews were as follows: What do you think about your clinical training? How do you evaluate yourself in the process of putting your theoretical knowledge into clinical practice? What kind of difficulties are you experiencing in clinical practices? The data were interpreted using the method of content analysis. Most of the students reported that theoretical information they received was excessive, their ability to put most of this information into practice was weak, and they lacked courage to touch patients for fear of implementing procedures incorrectly. As a result of the analysis of the data, five main themes were determined: clinical training, guidance and communication, hospital environment and expectations. The results of this study showed that nursing students found their clinical knowledge and skills insufficient and usually failed to transfer their theoretical knowledge into clinical practices. The study observed that nursing students experienced various issues in clinical practices. In order to fix these issues and achieve an effective clinical training environment, collaboration should be achieved among nursing instructors, nurses, nursing school and hospital managements. Additionally, the number of nursing educators should be increased and training programs should be provided regarding effective clinical training methods. Copyright © 2018 Elsevier Ltd. All rights reserved.

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

Spinning characteristics of wings II : rectangular Clark Y biplane cellule: 25 percent stagger; 0 degree decalage; gap/chord 1.0

NASA Technical Reports Server (NTRS)

Bamber, M J

1935-01-01

General methods of theoretical analysis of airplane spinning characteristics have been available for some time. Some of these methods of analysis might be used by designers to predict the spinning characteristics of proposed airplane designs if the necessary aerodynamic data were known. The present investigation, to determine the spinning characteristics of wings, is planned to include variations in airfoil sections, plan forms, and tip shapes of monoplane wings and variations in stagger, gap, and decalage for biplane cellules. The first series of tests, made on a rectangular Clark Y monoplane wing, are reported in reference 1. That report also gives an analysis of the data for predicting the probable effects of various important parameters on the spin for normal airplanes using such a wing. The present report is the second of the series. It gives the aerodynamic characteristics of a rectangular Clark Y biplane cellule in spinning attitudes and includes a discussion of the data, using the method of analysis given in reference 1.

Numerical modeling of solar irradiance on earth's surface

NASA Astrophysics Data System (ADS)

Mera, E.; Gutierez, L.; Da Silva, L.; Miranda, E.

2016-05-01

Modeling studies and estimation of solar radiation in base area, touch from the problems of estimating equation of time, distance equation solar space, solar declination, calculation of surface irradiance, considering that there are a lot of studies you reported the inability of these theoretical equations to be accurate estimates of radiation, many authors have proceeded to make corrections through calibrations with Pyranometers field (solarimeters) or the use of satellites, this being very poor technique last because there a differentiation between radiation and radiant kinetic effects. Because of the above and considering that there is a weather station properly calibrated ground in the Susques Salar in the Jujuy Province, Republic of Argentina, proceeded to make the following modeling of the variable in question, it proceeded to perform the following process: 1. Theoretical Modeling, 2. graphic study of the theoretical and actual data, 3. Adjust primary calibration data through data segmentation on an hourly basis, through horizontal and adding asymptotic constant, 4. Analysis of scatter plot and contrast series. Based on the above steps, the modeling data obtained: Step One: Theoretical data were generated, Step Two: The theoretical data moved 5 hours, Step Three: an asymptote of all negative emissivity values applied, Solve Excel algorithm was applied to least squares minimization between actual and modeled values, obtaining new values of asymptotes with the corresponding theoretical reformulation of data. Add a constant value by month, over time range set (4:00 pm to 6:00 pm). Step Four: The modeling equation coefficients had monthly correlation between actual and theoretical data ranging from 0.7 to 0.9.

Analysis of Landing-Gear Behavior

NASA Technical Reports Server (NTRS)

Milwitzky, Benjamin; Cook, Francis E

1953-01-01

This report presents a theoretical study of the behavior of the conventional type of oleo-pneumatic landing gear during the process of landing impact. The basic analysis is presented in a general form and treats the motions of the landing gear prior to and subsequent to the beginning of shock-strut deflection. The applicability of the analysis to actual landing gears has been investigated for the particular case of a vertical landing gear in the absence of drag loads by comparing calculated results with experimental drop-test data for impacts with and without tire bottoming. The calculated behavior of the landing gear was found to be in good agreement with the drop-test data.

Bragg-cell receiver study

NASA Technical Reports Server (NTRS)

Wilson, Lonnie A.

1987-01-01

Bragg-cell receivers are employed in specialized Electronic Warfare (EW) applications for the measurement of frequency. Bragg-cell receiver characteristics are fully characterized for simple RF emitter signals. This receiver is early in its development cycle when compared to the IFM receiver. Functional mathematical models are derived and presented in this report for the Bragg-cell receiver. Theoretical analysis is presented and digital computer signal processing results are presented for the Bragg-cell receiver. Probability density function analysis are performed for output frequency. Probability density function distributions are observed to depart from assumed distributions for wideband and complex RF signals. This analysis is significant for high resolution and fine grain EW Bragg-cell receiver systems.

Theoretical analysis of hot electron dynamics in nanorods

PubMed Central

Kumarasinghe, Chathurangi S.; Premaratne, Malin; Agrawal, Govind P.

2015-01-01

Localised surface plasmons create a non-equilibrium high-energy electron gas in nanostructures that can be injected into other media in energy harvesting applications. Here, we derive the rate of this localised-surface-plasmon mediated generation of hot electrons in nanorods and the rate of injecting them into other media by considering quantum mechanical motion of the electron gas. Specifically, we use the single-electron wave function of a particle in a cylindrical potential well and the electric field enhancement factor of an elongated ellipsoid to derive the energy distribution of electrons after plasmon excitation. We compare the performance of nanorods with equivolume nanoparticles of other shapes such as nanospheres and nanopallets and report that nanorods exhibit significantly better performance over a broad spectrum. We present a comprehensive theoretical analysis of how different parameters contribute to efficiency of hot-electron harvesting in nanorods and reveal that increasing the aspect ratio can increase the hot-electron generation and injection, but the volume shows an inverse dependency when efficiency per unit volume is considered. Further, the electron thermalisation time shows much less influence on the injection rate. Our derivations and results provide the much needed theoretical insight for optimization of hot-electron harvesting process in highly adaptable metallic nanorods. PMID:26202823

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

Yuan, Chris, E-mail: cyuan@uwm.edu; Wang, Endong; Zhai, Qiang

Temporal homogeneity of inventory data is one of the major problems in life cycle assessment (LCA). Addressing temporal homogeneity of life cycle inventory data is important in reducing the uncertainties and improving the reliability of LCA results. This paper attempts to present a critical review and discussion on the fundamental issues of temporal homogeneity in conventional LCA and propose a theoretical framework for temporal discounting in LCA. Theoretical perspectives for temporal discounting in life cycle inventory analysis are discussed first based on the key elements of a scientific mechanism for temporal discounting. Then generic procedures for performing temporal discounting inmore » LCA is derived and proposed based on the nature of the LCA method and the identified key elements of a scientific temporal discounting method. A five-step framework is proposed and reported in details based on the technical methods and procedures needed to perform a temporal discounting in life cycle inventory analysis. Challenges and possible solutions are also identified and discussed for the technical procedure and scientific accomplishment of each step within the framework. - Highlights: • A critical review for temporal homogeneity problem of life cycle inventory data • A theoretical framework for performing temporal discounting on inventory data • Methods provided to accomplish each step of the temporal discounting framework.« less

Hydrothermal synthesis, experimental and theoretical characterization of a novel cocrystal compound in the 2:1 stoichiometric ratio containing 6-methyluracil and dipicolinic acid

NASA Astrophysics Data System (ADS)

Eshtiagh-Hosseini, H.; Aghabozorg, H.; Mirzaei, M.; Beyramabadi, S. A.; Eshghi, H.; Morsali, A.; Shokrollahi, A.; Aghaei, R.

2011-05-01

This paper reports the hydrothermal synthesis, experimental and theoretical studies of a novel cocrystal compound in the 2:1 stoichiometric ratio of 6-methyluracil (6mu) and dipicolinic acid (pydcH 2) formulated as [6mu] 2[pydcH 2] (1), for the first time. DFT calculations were performed to access the most possible geometry of the title cocrystal compound. All calculations were carried out with the B3LYP hybrid density functional level and 6-311+G(d,p) basis sets. The vibrational frequencies together with the 1H and 13C NMR chemical shifts have been calculated on the fully optimized geometry of 1. The theoretical results are in good agreement with the experimental and solution data. The theoretical, solution, and experimental (elemental analysis, mass spectrometry, FTIR, 1H and 13C NMR spectroscopies) results confirmed our proposed structure for 1 in the 2:1 stoichiometric ratio of 6mu and pydcH 2, respectively. The protonation and equilibrium constants of 6mu and pydcH 2 and constituent systems were determined by potentiometric studies and the corresponding distribution diagrams depicted.

Assessing Professional Competence by Using Occupational Judgment Tests Derived From Job Analysis Questionnaires

DTIC Science & Technology

2009-01-01

theoretical framework developed by Edward L. Thorndike and his contemporaries (1935), proposed that (a) learning occurs in both formal and informal settings...implies, and general learning theory ( Thorndike , 1935) suggests, that more motivated employees should acquire more knowledge, so there should be a...that is predicted by tacit knowledge and general learning theory (Sternberg & Wagner, 1993; Thorndike , 1935). Table 3 reports modest true-score

The practical operational-amplifier gyrator circuit for inductorless filter synthesis

NASA Technical Reports Server (NTRS)

Sutherland, W. C.

1976-01-01

A literature is reported for gyrator circuits utilizing operational amplifiers as the active device. A gyrator is a two port nonreciprocal device with the property that the input impedance is proportional to the reciprocal of the load impedance. Following an experimental study, the gyrator circuit with optimum properties was selected for additional testing. A theoretical analysis was performed and compared to the experimental results for excellent agreement.

Quantum Gravitational Spectroscopy

DOE PAGES

Nesvizhevsky, Valery V.; Antoniadis, Ignatios; Baessler, Stefan; ...

2015-01-01

We report that one of the main goals for improving the accuracy of quantum gravitational spectroscopy with neutrons is searches for extra short-range fundamental forces. We discuss also any progress in all competing nonneutron methods as well as constraints at other characteristic distances. Among major methodical developments related to the phenomenon of gravitational quantum states are the detailed theoretical analysis and the planning experiments on observation of gravitational quantum states of antihydrogen atoms.

Quantum chemistry calculation of resveratrol and related stilbenes

NASA Astrophysics Data System (ADS)

Del Nero, J.; de Melo, C. P.

2003-01-01

We report a semiempirical investigation of the first excited states and of the spectroscopic properties of resveratrol, a phytoalexin with well-known antioxidative properties, and of structurally related stilbenes. The analysis of the calculated bond length and charge rearrangements resulting from the photoexcitation and of the corresponding theoretical spectra gives us some insight of how chemical modifications of these molecules could affect the possible physiological properties of resveratrol.

Synthesis, X-ray crystallography characterization, vibrational spectroscopic, molecular electrostatic potential maps, thermodynamic properties studies of N,N'-di(p-thiazole)formamidine.

PubMed

Rofouei, M K; Fereyduni, E; Sohrabi, N; Shamsipur, M; Attar Gharamaleki, J; Sundaraganesan, N

2011-01-01

In this work, we will report a combined experimental and theoretical study on molecular and vibrational structure of N,N'-di(p-thiazole)formamidine (DpTF). DpTF has been synthesized and characterized by elemental analysis, FT-IR, FT-Raman, 1H NMR, 13C NMR spectroscopy and X-ray single crystal diffraction. The FT-IR and FT-Raman spectra of DpTF were recorded in the solid phase. The optimized geometry was calculated by HF and B3LYP methods using 6-31G(d) basis set. The FT-IR and FT-Raman spectra of DpTF was calculated at the HF/B3LYP/6-31G(d) level and were interpreted in terms of potential energy distribution (PED) analysis. The scaled theoretical wavenumber showed very good agreement with the experimental values. A detailed interpretation of the infrared and Raman spectra of DpTF was reported. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between Cp,m°, Sm°, Hm° and temperatures. Furthermore, molecular electrostatic potential maps (MESP) and total dipole moment properties of the compound have been calculated. Copyright © 2010 Elsevier B.V. All rights reserved.

Establishment of apoptotic regulatory network for genetic markers of colorectal cancer and optimal selection of traditional Chinese medicine target.

PubMed

Tian, Tongde; Chen, Chuanliang; Yang, Feng; Tang, Jingwen; Pei, Junwen; Shi, Bian; Zhang, Ning; Zhang, Jianhua

2017-03-01

The paper aimed to screen out genetic markers applicable to early diagnosis for colorectal cancer and establish apoptotic regulatory network model for colorectal cancer, and to analyze the current situation of traditional Chinese medicine (TCM) target, thereby providing theoretical evidence for early diagnosis and targeted therapy of colorectal cancer. Taking databases including CNKI, VIP, Wanfang data, Pub Med, and MEDLINE as main sources of literature retrieval, literatures associated with genetic markers that are applied to early diagnosis of colorectal cancer were searched and performed comprehensive and quantitative analysis by Meta analysis, hence screening genetic markers used in early diagnosis of colorectal cancer. KEGG analysis was employed to establish apoptotic regulatory network model based on screened genetic markers, and optimization was conducted on TCM targets. Through Meta analysis, seven genetic markers were screened out, including WWOX, K-ras, COX-2, P53, APC, DCC and PTEN, among which DCC has the highest diagnostic efficiency. Apoptotic regulatory network was built by KEGG analysis. Currently, it was reported that TCM has regulatory function on gene locus in apoptotic regulatory network. The apoptotic regulatory model of colorectal cancer established in this study provides theoretical evidence for early diagnosis and TCM targeted therapy of colorectal cancer in clinic.

Dakota, a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis version 6.0 theory manual

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

Adams, Brian M.; Ebeida, Mohamed Salah; Eldred, Michael S

The Dakota (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a exible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quanti cation with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components requiredmore » for iterative systems analyses, the Dakota toolkit provides a exible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quanti cation, and optimization under uncertainty that provide the foundation for many of Dakota's iterative analysis capabilities.« less

Synthesis, spectral characterization and density functional theory exploration of 1-(quinolin-3-yl)piperidin-2-ol

NASA Astrophysics Data System (ADS)

Suresh, M.; Syed Ali Padusha, M.; Bharanidharan, S.; Saleem, H.; Dhandapani, A.; Manivarman, S.

2015-06-01

The experimental and theoretical vibrational frequencies of a newly synthesized compound, namely 1-(quinolin-3-yl)piperidin-2-ol (QPPO) are analyzed. The experimental FT-IR (4000-400 cm-1) and FT-Raman (4000-100 cm-1) of the molecule in solid phase have been recorded. The optimized molecular structure, vibrational assignments of QPPO have been investigated experimentally and theoretically using Gaussian03W software package. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The first order hyperpolarizability (β0) is calculated to find its character in non-linear optics. Gauge including atomic orbital (GIAO) method is used to calculate 1H NMR chemical shift calculations were carried out and compared with experimental data. The electronic properties like UV-Visible spectral analysis and HOMO-LUMO energies were reported. The energy gap shows that the charge transfer occurs within the molecule. Thermodynamic parameters of the title compound were calculated at various temperatures.

Impinging jets atomization

NASA Technical Reports Server (NTRS)

Ibrahim, E. A.; Przekwas, A. J.

1991-01-01

An analysis of the characteristics of the spray produced by an impinging-jet injector is presented. Predictions of the spray droplet size and distribution are obtained through studying the formation and disintegration of the liquid sheet formed by the impact of two cylindrical jets of the same diameter and momentum. Two breakup regimes of the sheet are considered depending on Weber number, with transition occurring at Weber numbers between 500 and 2000. In the lower Weber number regime, the breakup is due to Taylor cardioidal waves, while at Weber number higher than 2000, the sheet disintegration is by the growth of Kelvin-Helmholtz instability waves. Theoretical expressions to predict the sheet thickness and shape are derived for the low Weber number breakup regime. An existing mathematical analysis of Kelvin-Helmholtz instability of radially moving liquid sheets is adopted in the predictions of resultant drop sizes by sheet breakup at Weber numbers greater than 2000. Comparisons of present theoretical results with experimental measurements and empirical correlations reported in the literature reveal favorable agreement.

Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: electronic and vibrational properties.

PubMed

Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

2013-04-01

The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP). Copyright © 2013 Elsevier B.V. All rights reserved.

Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: Electronic and vibrational properties

NASA Astrophysics Data System (ADS)

Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

2013-04-01

The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP).

Resonant spin tunneling in randomly oriented nanospheres of Mn 12 acetate

DOE PAGES

Lendínez, S.; Zarzuela, R.; Tejada, J.; ...

2015-01-06

We report measurements and theoretical analysis of resonant spin tunneling in randomly oriented nanospheres of a molecular magnet. Amorphous nanospheres of Mn₁₂ acetate have been fabricated and characterized by chemical, infrared, TEM, X-ray, and magnetic methods. Magnetic measurements have revealed sharp tunneling peaks in the field derivative of the magnetization that occur at the typical resonant field values for the Mn₁₂ acetate crystal in the field parallel to the easy axis.Theoretical analysis is provided that explains these observations. We argue that resonant spin tunneling in a molecular magnet can be established in a powder sample, without the need for amore » single crystal and without aligning the easy magnetization axes of the molecules. This is confirmed by re-analyzing the old data on a powdered sample of non-oriented micron-size crystals of Mn₁₂ acetate. In conclusion, our findings can greatly simplify the selection of candidates for quantum spin tunneling among newly synthesized molecular magnets.« less

Resonant spin tunneling in randomly oriented nanospheres of Mn 12 acetate

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

Lendínez, S.; Zarzuela, R.; Tejada, J.

We report measurements and theoretical analysis of resonant spin tunneling in randomly oriented nanospheres of a molecular magnet. Amorphous nanospheres of Mn₁₂ acetate have been fabricated and characterized by chemical, infrared, TEM, X-ray, and magnetic methods. Magnetic measurements have revealed sharp tunneling peaks in the field derivative of the magnetization that occur at the typical resonant field values for the Mn₁₂ acetate crystal in the field parallel to the easy axis.Theoretical analysis is provided that explains these observations. We argue that resonant spin tunneling in a molecular magnet can be established in a powder sample, without the need for amore » single crystal and without aligning the easy magnetization axes of the molecules. This is confirmed by re-analyzing the old data on a powdered sample of non-oriented micron-size crystals of Mn₁₂ acetate. In conclusion, our findings can greatly simplify the selection of candidates for quantum spin tunneling among newly synthesized molecular magnets.« less

Limitations of poster presentations reporting educational innovations at a major international medical education conference.

PubMed

Gordon, Morris; Darbyshire, Daniel; Saifuddin, Aamir; Vimalesvaran, Kavitha

2013-02-19

In most areas of medical research, the label of 'quality' is associated with well-accepted standards. Whilst its interpretation in the field of medical education is contentious, there is agreement on the key elements required when reporting novel teaching strategies. We set out to assess if these features had been fulfilled by poster presentations at a major international medical education conference. Such posters were analysed in four key areas: reporting of theoretical underpinning, explanation of instructional design methods, descriptions of the resources needed for introduction, and the offering of materials to support dissemination. Three hundred and twelve posters were reviewed with 170 suitable for analysis. Forty-one percent described their methods of instruction or innovation design. Thirty-three percent gave details of equipment, and 29% of studies described resources that may be required for delivering such an intervention. Further resources to support dissemination of their innovation were offered by 36%. Twenty-three percent described the theoretical underpinning or conceptual frameworks upon which their work was based. These findings suggest that posters presenting educational innovation are currently limited in what they offer to educators. Presenters should seek to enhance their reporting of these crucial aspects by employing existing published guidance, and organising committees may wish to consider explicitly requesting such information at the time of initial submission.

Limitations of poster presentations reporting educational innovations at a major international medical education conference.

PubMed

Gordon, Morris; Darbyshire, Daniel; Saifuddin, Aamir; Vimalesvaran, Kavitha

2013-01-01

In most areas of medical research, the label of 'quality' is associated with well-accepted standards. Whilst its interpretation in the field of medical education is contentious, there is agreement on the key elements required when reporting novel teaching strategies. We set out to assess if these features had been fulfilled by poster presentations at a major international medical education conference. Such posters were analysed in four key areas: reporting of theoretical underpinning, explanation of instructional design methods, descriptions of the resources needed for introduction, and the offering of materials to support dissemination. Three hundred and twelve posters were reviewed with 170 suitable for analysis. Forty-one percent described their methods of instruction or innovation design. Thirty-three percent gave details of equipment, and 29% of studies described resources that may be required for delivering such an intervention. Further resources to support dissemination of their innovation were offered by 36%. Twenty-three percent described the theoretical underpinning or conceptual frameworks upon which their work was based. These findings suggest that posters presenting educational innovation are currently limited in what they offer to educators. Presenters should seek to enhance their reporting of these crucial aspects by employing existing published guidance, and organising committees may wish to consider explicitly requesting such information at the time of initial submission.

Theoretical analysis of low-power fast optogenetic control of firing of Chronos-expressing neurons.

PubMed

Saran, Sant; Gupta, Neha; Roy, Sukhdev

2018-04-01

A detailed theoretical analysis of low-power, fast optogenetic control of firing of Chronos-expressing neurons has been presented. A three-state model for the Chronos photocycle has been formulated and incorporated in a fast-spiking interneuron circuit model. The effect of excitation wavelength, pulse irradiance, pulse width, and pulse frequency has been studied in detail and compared with ChR2. Theoretical simulations are in excellent agreement with recently reported experimental results and bring out additional interesting features. At very low irradiances ([Formula: see text]), the plateau current in Chronos exhibits a maximum. At [Formula: see text], the plateau current is 2 orders of magnitude smaller and saturates at longer pulse widths ([Formula: see text]) compared to ChR2 ([Formula: see text]). [Formula: see text] in Chronos saturates at much shorter pulse widths (1775 pA at 1.5 ms and [Formula: see text]) than in ChR2. Spiking fidelity is also higher at lower irradiances and longer pulse widths compared to ChR2. Chronos exhibits an average maximal driven rate of over [Formula: see text] in response to [Formula: see text] stimuli, each of 1-ms pulse-width, in the intensity range 0 to [Formula: see text]. The analysis is important to not only understand the photodynamics of Chronos and Chronos-expressing neurons but also to design opsins with optimized properties and perform precision experiments with required spatiotemporal resolution.

Integrated Education in Conflicted Societies: Is There a Need for New Theoretical Language?

ERIC Educational Resources Information Center

Zembylas, Michalinos; Bekerman, Zvi

2013-01-01

This article takes on the issue of "integrated education" in conflicted societies and engages in a deeper analysis of its dominant theoretical concepts, approaches, and implications. This analysis suggests that the theoretical language that drives current approaches of integrated education may unintentionally be complicit to the project…

Theoretical framework and methodological development of common subjective health outcome measures in osteoarthritis: a critical review

PubMed Central

Pollard, Beth; Johnston, Marie; Dixon, Diane

2007-01-01

Subjective measures involving clinician ratings or patient self-assessments have become recognised as an important tool for the assessment of health outcome. The value of a health outcome measure is usually assessed by a psychometric evaluation of its reliability, validity and responsiveness. However, psychometric testing involves an accumulation of evidence and has recognised limitations. It has been suggested that an evaluation of how well a measure has been developed would be a useful additional criteria in assessing the value of a measure. This paper explored the theoretical background and methodological development of subjective health status measures commonly used in osteoarthritis research. Fourteen subjective health outcome measures commonly used in osteoarthritis research were examined. Each measure was explored on the basis of their i) theoretical framework (was there a definition of what was being assessed and was it part of a theoretical model?) and ii) methodological development (what was the scaling strategy, how were the items generated and reduced, what was the response format and what was the scoring method?). Only the AIMS, SF-36 and WHOQOL defined what they were assessing (i.e. the construct of interest) and no measure assessed was part of a theoretical model. None of the clinician report measures appeared to have implemented a scaling procedure or described the rationale for the items selected or scoring system. Of the patient self-report measures, the AIMS, MPQ, OXFORD, SF-36, WHOQOL and WOMAC appeared to follow a standard psychometric scaling method. The DRP and EuroQol used alternative scaling methods. The review highlighted the general lack of theoretical framework for both clinician report and patient self-report measures. This review also drew attention to the wide variation in the methodological development of commonly used measures in OA. While, in general the patient self-report measures had good methodological development, the clinician report measures appeared less well developed. It would be of value if new measures defined the construct of interest and, that the construct, be part of theoretical model. By ensuring measures are both theoretically and empirically valid then improvements in subjective health outcome measures should be possible. PMID:17343739

HANFORD DST THERMAL & SEISMIC PROJECT ANSYS BENCHMARK ANALYSIS OF SEISMIC INDUCED FLUID STRUCTURE INTERACTION IN A HANFORD DOUBLE SHELL PRIMARY TANK

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

MACKEY, T.C.

M&D Professional Services, Inc. (M&D) is under subcontract to Pacific Northwest National Laboratories (PNNL) to perform seismic analysis of the Hanford Site Double-Shell Tanks (DSTs) in support of a project entitled ''Double-Shell Tank (DSV Integrity Project-DST Thermal and Seismic Analyses)''. The overall scope of the project is to complete an up-to-date comprehensive analysis of record of the DST System at Hanford in support of Tri-Party Agreement Milestone M-48-14. The work described herein was performed in support of the seismic analysis of the DSTs. The thermal and operating loads analysis of the DSTs is documented in Rinker et al. (2004). Themore » overall seismic analysis of the DSTs is being performed with the general-purpose finite element code ANSYS. The overall model used for the seismic analysis of the DSTs includes the DST structure, the contained waste, and the surrounding soil. The seismic analysis of the DSTs must address the fluid-structure interaction behavior and sloshing response of the primary tank and contained liquid. ANSYS has demonstrated capabilities for structural analysis, but the capabilities and limitations of ANSYS to perform fluid-structure interaction are less well understood. The purpose of this study is to demonstrate the capabilities and investigate the limitations of ANSYS for performing a fluid-structure interaction analysis of the primary tank and contained waste. To this end, the ANSYS solutions are benchmarked against theoretical solutions appearing in BNL 1995, when such theoretical solutions exist. When theoretical solutions were not available, comparisons were made to theoretical solutions of similar problems and to the results from Dytran simulations. The capabilities and limitations of the finite element code Dytran for performing a fluid-structure interaction analysis of the primary tank and contained waste were explored in a parallel investigation (Abatt 2006). In conjunction with the results of the global ANSYS analysis reported in Carpenter et al. (2006), the results of the two investigations will be compared to help determine if a more refined sub-model of the primary tank is necessary to capture the important fluid-structure interaction effects in the tank and if so, how to best utilize a refined sub-model of the primary tank. Both rigid tank and flexible tank configurations were analyzed with ANSYS. The response parameters of interest are total hydrodynamic reaction forces, impulsive and convective mode frequencies, waste pressures, and slosh heights. To a limited extent: tank stresses are also reported. The results of this study demonstrate that the ANSYS model has the capability to adequately predict global responses such as frequencies and overall reaction forces. Thus, the model is suitable for predicting the global response of the tank and contained waste. On the other hand, while the ANSYS model is capable of adequately predicting waste pressures and primary tank stresses in a large portion of the waste tank, the model does not accurately capture the convective behavior of the waste near the free surface, nor did the model give accurate predictions of slosh heights. Based on the ability of the ANSYS benchmark model to accurately predict frequencies and global reaction forces and on the results presented in Abatt, et al. (2006), the global ANSYS model described in Carpenter et al. (2006) is sufficient for the seismic evaluation of all tank components except for local areas of the primary tank. Due to the limitations of the ANSYS model in predicting the convective response of the waste, the evaluation of primary tank stresses near the waste free surface should be supplemented by results from an ANSYS sub-model of the primary tank that incorporates pressures from theoretical solutions or from Dytran solutions. However, the primary tank is expected to have low demand to capacity ratios in the upper wall. Moreover, due to the less than desired mesh resolution in the primary tank knuckle of the global ANSYS model, the evaluation of the primary tank stresses in the lower knuckle should be supplemented by results from a more refined ANSYS sub-model of the primary tank that incorporates pressures from theoretical solutions or from Dytran solutions.« less

When a new technological product launching fails: A multi-method approach of facial recognition and E-WOM sentiment analysis.

PubMed

Hernández-Fernández, Dra Asunción; Mora, Elísabet; Vizcaíno Hernández, María Isabel

2018-04-17

The dual aim of this research is, firstly, to analyze the physiological and unconscious emotional response of consumers to a new technological product and, secondly, link this emotional response to consumer conscious verbal reports of positive and negative product perceptions. In order to do this, biometrics and self-reported measures of emotional response are combined. On the one hand, a neuromarketing experiment based on the facial recognition of emotions of 10 subjects, when physical attributes and economic information of a technological product are exposed, shows the prevalence of the ambivalent emotion of surprise. On the other hand, a nethnographic qualitative approach of sentiment analysis of 67-user online comments characterise the valence of this emotion as mainly negative in the case and context studied. Theoretical, practical and methodological contributions are anticipated from this paper. From a theoretical point of view this proposal contributes valuable information to the product design process, to an effective development of the marketing mix variables of price and promotion, and to a successful selection of the target market. From a practical point of view, the approach employed in the case study on the product Google Glass provides empirical evidence useful in the decision making process for this and other technological enterprises launching a new product. And from a methodological point of view, the usefulness of integrated neuromarketing-eWOM analysis could contribute to the proliferation of this tandem in marketing research. Copyright © 2018 Elsevier Inc. All rights reserved.

Excess success for psychology articles in the journal science.

PubMed

Francis, Gregory; Tanzman, Jay; Matthews, William J

2014-01-01

This article describes a systematic analysis of the relationship between empirical data and theoretical conclusions for a set of experimental psychology articles published in the journal Science between 2005-2012. When the success rate of a set of empirical studies is much higher than would be expected relative to the experiments' reported effects and sample sizes, it suggests that null findings have been suppressed, that the experiments or analyses were inappropriate, or that the theory does not properly follow from the data. The analyses herein indicate such excess success for 83% (15 out of 18) of the articles in Science that report four or more studies and contain sufficient information for the analysis. This result suggests a systematic pattern of excess success among psychology articles in the journal Science.

An improved analysis of proton structure function F2(x,t) at small x

NASA Astrophysics Data System (ADS)

Machahari, Luxmi; Choudhury, D. K.

2018-04-01

We report an improved analysis of Taylor approximated coupled DGLAP equations for singlet F2S(x,t) and gluon G( x, t) distributions at small x pursued in recent years. To that end, we assume a plausible t-dependent relation between the singlet and gluon distribution valid at small x and omit the boundary condition F2S (1, t) = 0, for any t which needs large x extrapolation of small x solution. We observe that in general two inequivalent t-evolutions of F2S (x, t) and G( x, t) are possible. Theoretical advantages of one over the other are discussed and compared with the recently compiled data in order to choose the best one. Phenomenological range of validity of solutions is also reported.

Excess Success for Psychology Articles in the Journal Science

PubMed Central

Francis, Gregory; Tanzman, Jay; Matthews, William J.

2014-01-01

This article describes a systematic analysis of the relationship between empirical data and theoretical conclusions for a set of experimental psychology articles published in the journal Science between 2005–2012. When the success rate of a set of empirical studies is much higher than would be expected relative to the experiments' reported effects and sample sizes, it suggests that null findings have been suppressed, that the experiments or analyses were inappropriate, or that the theory does not properly follow from the data. The analyses herein indicate such excess success for 83% (15 out of 18) of the articles in Science that report four or more studies and contain sufficient information for the analysis. This result suggests a systematic pattern of excess success among psychology articles in the journal Science. PMID:25474317

On the Correct Analysis of the Foundations of Theoretical Physics

NASA Astrophysics Data System (ADS)

Kalanov, Temur Z.

2007-04-01

The problem of truth in science -- the most urgent problem of our time -- is discussed. The correct theoretical analysis of the foundations of theoretical physics is proposed. The principle of the unity of formal logic and rational dialectics is a methodological basis of the analysis. The main result is as follows: the generally accepted foundations of theoretical physics (i.e. Newtonian mechanics, Maxwell electrodynamics, thermodynamics, statistical physics and physical kinetics, the theory of relativity, quantum mechanics) contain the set of logical errors. These errors are explained by existence of the global cause: the errors are a collateral and inevitable result of the inductive way of cognition of the Nature, i.e. result of movement from formation of separate concepts to formation of the system of concepts. Consequently, theoretical physics enters the greatest crisis. It means that physics as a science of phenomenon leaves the progress stage for a science of essence (information). Acknowledgment: The books ``Surprises in Theoretical Physics'' (1979) and ``More Surprises in Theoretical Physics'' (1991) by Sir Rudolf Peierls stimulated my 25-year work.

Making sense out of the emerging complexity inherent in professional development

NASA Astrophysics Data System (ADS)

Prodromou, Theodosia; Robutti, Ornella; Panero, Monica

2017-12-01

This paper reports on a study of the process of professional development for mathematics teachers. The analysis connects two theoretical frameworks: the Meta-Didactical Transposition model developed by Arzarello et al. (2014), which describes the macro level, and, at the micro level, the idea of emergence, which has been around since at least the time of Aristotle and has been defined by Mill (1843), Lewes (1875), Blitz (1992), Huxley and Huxley (1947) and many others. The meta-didactical transposition model considers the evolution of teachers' practices as part of a community process, while the notion of emergence helps us to gain better insights into the details of the practices of individual teachers. This paper focuses on secondary school teachers' learning of new digital technologies to illuminate this theoretical framework.

In their own words: Success stories from The Great Lakes Native American Research Center for Health.

PubMed

Dellinger, Matthew; Jackson, Brian; Poupart, Amy

2016-01-01

In 2009, the Great Lakes Native American Research Center for Health (GLNARCH) set out to generate a promotional video that highlights the successes of the program. Ten GLNARCH interns were interviewed and filmed for participation in the promotional video using a documentary production style. During the editing and transcription process, interviewer responses were noted for relevance to theoretical frameworks--specifically, tribal critical race theory, mentoring, and cultural compatibility--which guided GLNARCH program design. Quotations were transcribed to illustrate these themes. Though the interviews were not intended as a formal qualitative analysis, powerful narratives that are relevant to participatory research emerged. The emergence of narratives that align with relevant theoretical frameworks suggests a novel methodology for a culturally responsive, participatory reporting system.

Experimental and theoretical calculation studies on the structure elucidation and absolute configuration of calyxins from Alpinia katsumadai.

PubMed

Wang, Xiao-Bing; Yang, Chang-Shui; Luo, Jian-Guang; Zhang, Chao; Luo, Jun; Yang, Ming-Hua; Kong, Ling-Yi

2017-06-01

Six novel calyxins, named calyxin T-W, ent-calyxin T and ent-calyxin U were isolated from the seeds of Alpinia katsumadai Hayata. Their relative configurations were elucidated by means of detailed UV, IR, NMR and MS spectroscopic data. Their absolute configurations were assigned by collaborative studies on single crystal X-ray diffraction analysis, Mosher's method, electronic circular dichroism (ECD), optical rotation and theoretical calculations. These compounds are Friedel-Cranft alkylation adducts composed of coexisted diarylheptanoids and flavanone from the seeds of Alpinia katsumadai. The antiproliferative activity of the six compounds against NCI-H460, HeLa, SMMC-7721 and HCT-116 cell lines was also reported, and most of them showed moderate to strong activities. Copyright © 2017. Published by Elsevier B.V.

Conformational, spectroscopic and nonlinear optical properties of biologically active N,N-dimethyltryptamine molecule: a theoretical study.

PubMed

Öner, Nazmiye; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf

2014-12-10

The effective psychoactive properties of N,N-dimethyltryptamine (DMT) known as the near-death molecule have encouraged the imagination of many research disciplines for several decades. Although there is no theoretical study, a number of paper composed by experimental techniques have been reported for DMT molecule. In this study, the molecular modeling of DMT was carried out using B3LYP and HSEh1PBE levels of density functional theory (DFT). Our calculations showed that the energy gap between HOMO and LUMO is low, demonstrating that DMT is a biologically active molecule. Large hyperconjugation interaction energies imply that molecular charge transfer occurs in DMT. Moreover, NLO analysis indicates that DMT can be used an effective NLO material. Copyright © 2014 Elsevier B.V. All rights reserved.

Experimental verification of Theodorsen's theoretical jet-boundary correction factors

NASA Technical Reports Server (NTRS)

Schliestett, George Van

1934-01-01

Prandtl's suggested use of a doubly infinite arrangement of airfoil images in the theoretical determination of wind-tunnel jet-boundary corrections was first adapted by Glauert to the case of closed rectangular jets. More recently, Theodorsen, using the same image arrangement but a different analytical treatment, has extended this work to include not only closed but also partly closed and open tunnels. This report presents the results of wind-tunnel tests conducted at the Georgia School of Technology for the purpose of verifying the five cases analyzed by Theodorsen. The tests were conducted in a square tunnel and the results constitute a satisfactory verification of his general method of analysis. During the preparation of the data two minor errors were discovered in the theory and these have been rectified.

Medical students' perceptions of a novel institutional incident reporting system : A thematic analysis.

PubMed

Gordon, Morris; Parakh, Dillan

2017-10-01

Errors in healthcare are a major patient safety issue, with incident reporting a key solution. The incident reporting system has been integrated within a new medical curriculum, encouraging medical students to take part in this key safety process. The aim of this study was to describe the system and assess how students perceived the reporting system with regards to its role in enhancing safety. Employing a thematic analysis, this study used interviews with medical students at the end of the first year. Thematic indices were developed according to the information emerging from the data. Through open, axial and then selective stages of coding, an understanding of how the system was perceived was established. Analysis of the interview specified five core themes: (1) Aims of the incident reporting system; (2) internalized cognition of the system; (3) the impact of the reporting system; (4) threshold for reporting; (5) feedback on the systems operation. Selective analysis revealed three overriding findings: lack of error awareness and error wisdom as underpinned by key theoretical constructs, student support of the principle of safety, and perceptions of a blame culture. Students did not interpret reporting as a manner to support institutional learning and safety, rather many perceived it as a tool for a blame culture. The impact reporting had on students was unexpected and may give insight into how other undergraduates and early graduates interpret such a system. Future studies should aim to produce interventions that can support a reporting culture.

Robust integration schemes for generalized viscoplasticity with internal-state variables. Part 1: Theoretical developments and applications

NASA Technical Reports Server (NTRS)

Saleeb, Atef F.; Li, Wei

1995-01-01

This two-part report is concerned with the development of a general framework for the implicit time-stepping integrators for the flow and evolution equations in generalized viscoplastic models. The primary goal is to present a complete theoretical formulation, and to address in detail the algorithmic and numerical analysis aspects involved in its finite element implementation, as well as to critically assess the numerical performance of the developed schemes in a comprehensive set of test cases. On the theoretical side, the general framework is developed on the basis of the unconditionally-stable, backward-Euler difference scheme as a starting point. Its mathematical structure is of sufficient generality to allow a unified treatment of different classes of viscoplastic models with internal variables. In particular, two specific models of this type, which are representative of the present start-of-art in metal viscoplasticity, are considered in applications reported here; i.e., fully associative (GVIPS) and non-associative (NAV) models. The matrix forms developed for both these models are directly applicable for both initially isotropic and anisotropic materials, in general (three-dimensional) situations as well as subspace applications (i.e., plane stress/strain, axisymmetric, generalized plane stress in shells). On the computational side, issues related to efficiency and robustness are emphasized in developing the (local) interative algorithm. In particular, closed-form expressions for residual vectors and (consistent) material tangent stiffness arrays are given explicitly for both GVIPS and NAV models, with their maximum sizes 'optimized' to depend only on the number of independent stress components (but independent of the number of viscoplastic internal state parameters). Significant robustness of the local iterative solution is provided by complementing the basic Newton-Raphson scheme with a line-search strategy for convergence. In the present first part of the report, we focus on the theoretical developments, and discussions of the results of numerical-performance studies using the integration schemes for GVIPS and NAV models.

Theoretical and experimental study of polycyclic aromatic compounds as β-tubulin inhibitors.

PubMed

Olazarán, Fabian E; García-Pérez, Carlos A; Bandyopadhyay, Debasish; Balderas-Rentería, Isaias; Reyes-Figueroa, Angel D; Henschke, Lars; Rivera, Gildardo

2017-03-01

In this work, through a docking analysis of compounds from the ZINC chemical library on human β-tubulin using high performance computer cluster, we report new polycyclic aromatic compounds that bind with high energy on the colchicine binding site of β-tubulin, suggesting three new key amino acids. However, molecular dynamic analysis showed low stability in the interaction between ligand and receptor. Results were confirmed experimentally in in vitro and in vivo models that suggest that molecular dynamics simulation is the best option to find new potential β-tubulin inhibitors. Graphical abstract Bennett's acceptance ratio (BAR) method.

Analysis of the external and internal quantum efficiency of multi-emitter, white organic light emitting diodes

NASA Astrophysics Data System (ADS)

Furno, Mauro; Rosenow, Thomas C.; Gather, Malte C.; Lüssem, Björn; Leo, Karl

2012-10-01

We report on a theoretical framework for the efficiency analysis of complex, multi-emitter organic light emitting diodes (OLEDs). The calculation approach makes use of electromagnetic modeling to quantify the overall OLED photon outcoupling efficiency and a phenomenological description for electrical and excitonic processes. From the comparison of optical modeling results and measurements of the total external quantum efficiency, we obtain reliable estimates of internal quantum yield. As application of the model, we analyze high-efficiency stacked white OLEDs and comment on the various efficiency loss channels present in the devices.

Research in progress in applied mathematics, numerical analysis, fluid mechanics, and computer science

NASA Technical Reports Server (NTRS)

1994-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period October 1, 1993 through March 31, 1994. The major categories of the current ICASE research program are: (1) applied and numerical mathematics, including numerical analysis and algorithm development; (2) theoretical and computational research in fluid mechanics in selected areas of interest to LaRC, including acoustics and combustion; (3) experimental research in transition and turbulence and aerodynamics involving LaRC facilities and scientists; and (4) computer science.

Study of multiple hologram recording in lithium niobate

NASA Technical Reports Server (NTRS)

Gaylord, T. K.; Callen, W. R.

1976-01-01

The results of a number of theoretical and experimental studies relating to multiple hologram recording in lithium niobate are reported. The analysis of holographic gratings stored in lithium niobate has been extended to cover a more realistic range of physical situations. A new successful dynamic (feedback) theory for describing recording, nondestructive reading, erasure, enhancement, and angular sensitivity has been developed. In addition, the possible architectures of mass data storage systems have been studied.

Alternative Models for Individualized Armor Training. Part I. Interim Report: Review and Analysis of the Literature

DTIC Science & Technology

1980-01-01

for an individualized instructional con- text is provided by Giordono (1975), in his discussion of the design of a " non - lockstep educational system...state of ATI research, sum- marized the methodological and theoretical problems that may have inhibited the application of ATI findings to the design ...years. In contrast, systematic modifications based on results obtained through the application of appropriate experimental designs are desired and

Proceedings of the 27th International Group for the Psychology of Mathematics Education Conference Held Jointly with the 25th PME-NA Conference (Honolulu, Hawaii, July 13-18, 2003). Volume 3

ERIC Educational Resources Information Center

Pateman, Neil A., Ed; Dougherty, Barbara J., Ed.; Zilliox, Joseph T., Ed.

2003-01-01

This volume of the 27th International Group for the Psychology of Mathematics Education Conference includes the following research reports: (1) The Affective Views of Primary School Children (Peter Grootenboer); (2) Theoretical Model of Analysis of Rate Problems in Algebra (Jose Guzman, Nadine Bednarz and Fernando Hitt); (3) Locating Fractions on…

Global Linear Stability Analysis of the Spoke Oscillation in Hall Effect Thrusters

DTIC Science & Technology

2014-07-15

Princeton with modern thrusters, confirm the existence of a low-frequency azimuthal oscillation, called rotating spoke, of similar nature as those...RESPONSIBLE PERSON Kevin P. Bollino a. REPORT UNCLAS b . ABSTRACT UNCLAS c. THIS PAGE UNCLAS 19b. TELEPHONE NUMBER (Include area code) 011-44...rotating spoke, of similar nature as those originally detected in the 1960’s by Janes and Lowder. This project aims at studying theoretically these

The Simulation and Analysis of an Evolutionary Model of Deoxyribonucleic Acid (DNA).

DTIC Science & Technology

1983-09-01

current interest in evolutionary biology . This section identifies the organization of the remainder of the paper. The second chapter reports the...the field of evolutionary biology . 77 APPENDIX 78 APPENDIX A PROGRAM SOURCE LISTING -79 PROGRAM SOURCE LISTING 00005 PROGRAM (COMPUTERANDOM MUTATIONS...34Some Theoretical Aspects of the Problem of Life Origin," Journal 2f Theoreical Biology : 13-23, 1975. 27. Chirpich, Thomas P. "Rates of Protein

Mass quantity gauging by RF mode analysis

NASA Technical Reports Server (NTRS)

Collier, R. S.; Ellerbruch, D.; Cruz, J. E.; Stokes, R. W.; Luft, P. E.; Peterson, R. G.; Hiester, A. E.

1973-01-01

Work done to date is reported concerning Radio Frequency Mass Quantity Gauging. Experimental apparatus has been designed and tested which measures the resonant frequencies of a tank in the time domain. These frequencies correspond to the total mass of fluid within the tank. Experimental results are discussed for nitrogen and hydrogen in normal gravity both in the supercritical state and also in the two phase (liquid-gas) region. Theoretical discussions for more general cases are given.

Age at onset in bipolar I affective disorder in the USA and Europe.

PubMed

Bellivier, Frank; Etain, Bruno; Malafosse, Alain; Henry, Chantal; Kahn, Jean-Pierre; Elgrabli-Wajsbrot, Orly; Jamain, Stéphane; Azorin, Jean-Michel; Frank, Ellen; Scott, Jan; Grochocinski, Victoria; Kupfer, David J; Golmard, Jean-Louis; Leboyer, Marion

2014-07-01

To test for differences in reported age at onset (AAO) of bipolar I affective disorder in clinical samples drawn from Europe and the USA. Admixture analysis was used to identify the model best fitting the observed AAO distributions of two large samples of bipolar I patients from Europe and USA (n = 3616 and n = 2275, respectively). Theoretical AAO functions were compared between the two samples. The model best fitting the observed distribution of AAO in both samples was a mixture of three Gaussian distributions. The theoretical AAO functions of bipolar I disorder differed significantly between the European and USA populations, with further analyses indicating that (i) the proportion of patients belonging to the early-onset subgroup was higher in the USA sample (63 vs. 25%) and (ii) mean age at onset (±SD) in the early-onset subgroup was lower for the USA sample (14.5 ± 4.9 vs. 19 ± 2.7 years). The models best describing the reported AAO distributions of European and USA bipolar I patients were remarkably stable. The intermediate- and late-onset subgroups had similar characteristics in the two samples. However, the theoretical AAO function differed significantly between the USA and European samples due to the higher proportion of patients in the early-onset subgroup and the lower mean age-at-onset in the USA sample.

Investigating nurse practitioners in the private sector: a theoretically informed research protocol.

PubMed

Adams, Margaret; Gardner, Glenn; Yates, Patsy

2017-06-01

To report a study protocol and the theoretical framework normalisation process theory that informs this protocol for a case study investigation of private sector nurse practitioners. Most research evaluating nurse practitioner service is focused on public, mainly acute care environments where nurse practitioner service is well established with strong structures for governance and sustainability. Conversely, there is lack of clarity in governance for emerging models in the private sector. In a climate of healthcare reform, nurse practitioner service is extending beyond the familiar public health sector. Further research is required to inform knowledge of the practice, operational framework and governance of new nurse practitioner models. The proposed research will use a multiple exploratory case study design to examine private sector nurse practitioner service. Data collection includes interviews, surveys and audits. A sequential mixed method approach to analysis of each case will be conducted. Findings from within-case analysis will lead to a meta-synthesis across all four cases to gain a holistic understanding of the cases under study, private sector nurse practitioner service. Normalisation process theory will be used to guide the research process, specifically coding and analysis of data using theory constructs and the relevant components associated with those constructs. This article provides a blueprint for the research and describes a theoretical framework, normalisation process theory in terms of its flexibility as an analytical framework. Consistent with the goals of best research practice, this study protocol will inform the research community in the field of primary health care about emerging research in this field. Publishing a study protocol ensures researcher fidelity to the analysis plan and supports research collaboration across teams. © 2016 John Wiley & Sons Ltd.

Theoretical Analysis of the Electron Spiral Toroid Concept

NASA Technical Reports Server (NTRS)

Cambier, Jean-Luc; Micheletti, David A.; Bushnell, Dennis M. (Technical Monitor)

2000-01-01

This report describes the analysis of the Electron Spiral Toroid (EST) concept being promoted by Electron Power Systems Inc. (EPS). The EST is described as a toroidal plasma structure composed Of ion and electron shells. It is claimed that the EST requires little or no external confinement, despite the extraordinarily large energy densities resulting from the self-generating magnetic fields. The present analysis is based upon documentation made available by EPS, a previous description of the model by the Massachusetts Institute of Technology (MIT), and direct discussions with EPS and MIT. It is found that claims of absolute stability and large energy storage capacities of the EST concept have not been substantiated. Notably, it can be demonstrated that the ion fluid is fundamentally unstable. Although various scenarios for ion confinement were subsequently suggested by EPS and MIT, none were found to be plausible. Although the experimental data does not prove the existence of EST configurations, there is undeniable experimental evidence that some type of plasma structures whose characteristics remain to be determined are observed. However, more realistic theoretical models must first be developed to explain their existence and properties before applications of interest to NASA can he assessed and developed.

A practical and systematic review of Weibull statistics for reporting strengths of dental materials

PubMed Central

Quinn, George D.; Quinn, Janet B.

2011-01-01

Objectives To review the history, theory and current applications of Weibull analyses sufficient to make informed decisions regarding practical use of the analysis in dental material strength testing. Data References are made to examples in the engineering and dental literature, but this paper also includes illustrative analyses of Weibull plots, fractographic interpretations, and Weibull distribution parameters obtained for a dense alumina, two feldspathic porcelains, and a zirconia. Sources Informational sources include Weibull's original articles, later articles specific to applications and theoretical foundations of Weibull analysis, texts on statistics and fracture mechanics and the international standards literature. Study Selection The chosen Weibull analyses are used to illustrate technique, the importance of flaw size distributions, physical meaning of Weibull parameters and concepts of “equivalent volumes” to compare measured strengths obtained from different test configurations. Conclusions Weibull analysis has a strong theoretical basis and can be of particular value in dental applications, primarily because of test specimen size limitations and the use of different test configurations. Also endemic to dental materials, however, is increased difficulty in satisfying application requirements, such as confirming fracture origin type and diligence in obtaining quality strength data. PMID:19945745

A Meta-Analysis of Serious Digital Games for Healthy Lifestyle Promotion

PubMed Central

DeSmet, Ann; Van Ryckeghem, Dimitri; Compernolle, Sofie; Baranowski, Tom; Thompson, Debbe; Crombez, Geert; Poels, Karolien; Van Lippevelde, Wendy; Bastiaensens, Sara; Van Cleemput, Katrien; Vandebosch, Heidi; De Bourdeaudhuij, Ilse

2015-01-01

Several systematic reviews have described health-promoting effects of serious games but so far no meta-analysis has been reported. This paper presents a meta-analysis of 54 serious digital game studies for healthy lifestyle promotion, in which we investigated the overall effectiveness of serious digital games on healthy lifestyle promotion outcomes and the role of theoretically and clinically important moderators. Findings showed serious games have small positive effects on healthy lifestyles (g=0.260, 95% CI 0.148; 0.373) and their determinants (g=0.334, 95% CI 0.260; 0.407), especially for knowledge. Effects on clinical outcomes were significant, but much smaller (g=0.079, 95% CI 0.038; 0.120). Long-term effects were maintained for all outcomes except for behavior. Serious games are best individually tailored to both socio-demographic and change need information, and benefit from a strong focus on game theories or a dual theoretical foundation in both behavioral prediction and game theories. They can be effective either as a stand-alone or multi-component programs, and appeal to populations regardless of age and gender. Given that effects of games remain heterogeneous, further exploration of which game features create larger effects are needed. PMID:25172024

Principle-based concept analysis: intentionality in holistic nursing theories.

PubMed

Aghebati, Nahid; Mohammadi, Eesa; Ahmadi, Fazlollah; Noaparast, Khosrow Bagheri

2015-03-01

This is a report of a principle-based concept analysis of intentionality in holistic nursing theories. A principle-based concept analysis method was used to analyze seven holistic theories. The data included eight books and 31 articles (1998-2011), which were retrieved through MEDLINE and CINAHL. Erickson, Kriger, Parse, Watson, and Zahourek define intentionality as a capacity, a focused consciousness, and a pattern of human being. Rogers and Newman do not explicitly mention intentionality; however, they do explain pattern and consciousness (epistemology). Intentionality has been operationalized as a core concept of nurse-client relationships (pragmatic). The theories are consistent on intentionality as a noun and as an attribute of the person-intentionality is different from intent and intention (linguistic). There is ambiguity concerning the boundaries between intentionality and consciousness (logic). Theoretically, intentionality is an evolutionary capacity to integrate human awareness and experience. Because intentionality is an individualized concept, we introduced it as "a matrix of continuous known changes" that emerges in two forms: as a capacity of human being and as a capacity of transpersonal caring. This study has produced a theoretical definition of intentionality and provides a foundation for future research to further investigate intentionality to better delineate its boundaries. © The Author(s) 2014.

The Military-Industrial-Scientific Complex and the Rise of New Powers: Conceptual, Theoretical and Methodological Contributions and the Brazilian Case

DTIC Science & Technology

2017-09-29

Report: The Military-Industrial-Scientific Complex and the Rise of New Powers: Conceptual, Theoretical and Methodological Contributions and the... Methodological Contributions and the Brazilian Case Report Term: 0-Other Email: aminvielle@ucsd.edu Distribution Statement: 1-Approved for public

The theory-practice relationship: reflective skills and theoretical knowledge as key factors in bridging the gap between theory and practice in initial nursing education.

PubMed

Hatlevik, Ida Katrine Riksaasen

2012-04-01

This paper is a report of a correlational study of the relations of nursing students' acquired reflective skills, practical skills and theoretical knowledge on their perception of coherence between theory and practice. Reflection is considered a key factor in bridging the gap between theory and practice. However, it is not evident whether reflective skills are primarily generic in nature or whether they develop from a theoretical knowledge base or the acquisition of practical skills. This study is a secondary analysis of existing data. The data are part of a student survey that was conducted among third-year nursing students in Norway during the spring of 2007. A total of 446 nursing students participated in this study and the response rate was 71%. Structural equation modelling analyses were performed. The results indicate that students' perception of coherence between theory and practice during initial nursing education is directly influenced by reflective skills and theoretical knowledge. The results also reveal that reflective skills have mediating effects and that practical skills have a fully mediated and theoretical knowledge a partially mediated influence on students' perception of coherence. The findings imply that helping students perceive coherence between theory and practice in nursing education, developing students' reflective skills and strengthening the theoretical components of the initial nursing education programme might be beneficial. The results suggest that reflective thinking is not merely a generic skill but rather a skill that depends on the acquisition of relevant professional knowledge and experience. © 2011 Blackwell Publishing Ltd.

Ecological Research Division Theoretical Ecology Program. [Contains abstracts

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

Not Available

1990-10-01

This report presents the goals of the Theoretical Ecology Program and abstracts of research in progress. Abstracts cover both theoretical research that began as part of the terrestrial ecology core program and new projects funded by the theoretical program begun in 1988. Projects have been clustered into four major categories: Ecosystem dynamics; landscape/scaling dynamics; population dynamics; and experiment/sample design.

[Health assessment and economic assessment in health: introduction to the debate on the points of intersection].

PubMed

Sancho, Leyla Gomes; Dain, Sulamis

2012-03-01

The study aims to infer the existence of a continuum between Health Assessment and Economic Assessment in Health, by highlighting points of intersection of these forms of appraisal. To achieve this, a review of the theoretical foundations, methods and approaches of both forms of assessment was conducted. It was based on the theoretical model of health evaluation as reported by Hartz et al and economic assessment in health approaches reported by Brouwer et al. It was seen that there is a continuum between the theoretical model of evaluative research and the extrawelfarist approach for economic assessment in health, and between the normative theoretical model for health assessment and the welfarist approaches for economic assessment in health. However, in practice the assessment is still conducted using the normative theoretical model and with a welfarist approach.

Misleading Theoretical Assumptions in Hypertext/Hypermedia Research.

ERIC Educational Resources Information Center

Tergan, Sigmar-Olaf

1997-01-01

Reviews basic theoretical assumptions of research on learning with hypertext/hypermedia. Focuses on whether the results of research on hypertext/hypermedia-based learning support these assumptions. Results of empirical studies and theoretical analysis reveal that many research approaches have been misled by inappropriate theoretical assumptions on…

Combined experimental and theoretical studies on the molecular structures, spectroscopy, and inhibitor activity of 3-(2-thienyl)acrylic acid through AIM, NBO,FT-IR, FT-Raman, UV and HOMO-LUMO analyses, and molecular docking

NASA Astrophysics Data System (ADS)

Issaoui, N.; Ghalla, H.; Bardak, F.; Karabacak, M.; Aouled Dlala, N.; Flakus, H. T.; Oujia, B.

2017-02-01

In this work, the molecular structures and vibrational spectral analyses of 3-(2-Theinyl)acrylic acid (3-2TAA) monomer and dimer structures have been reported by using density functional theory calculations at B3LYP/6-311++G(d,p) level of theory. The complete assignments of the fundamental vibrational modes were obtained using potential energy distribution. Intermolecular interactions were analyzed by orbital NBO and topological AIM approaches. The electronic properties have been carried out using TD-DFT approach. Great agreements between experimental and theoretical values were achieved throughout the analysis of structural parameters and spectroscopic features. Inhibitor characteristics on human monoamine oxidase B (MAOB) enzyme of two determined stable conformers of 3-2TAA (β and γ) along with four selective inhibitors, namely safinamide, a coumarin analogue, farnesol, and phenyethylhydrazine were investigated via molecular docking. Moreover, molecular electrostatic potential (MEP) and temperature dependency of thermodynamic functions have been reported.

Small Peptides Derived from Penetratin as Antibacterial Agents.

PubMed

Parravicini, Oscar; Somlai, Csaba; Andujar, Sebastián A; Garro, Adriana D; Lima, Beatriz; Tapia, Alejandro; Feresin, Gabriela; Perczel, Andras; Tóth, Gabor; Cascales, Javier López; Rodríguez, Ana M; Enriz, Ricardo D

2016-04-01

The synthesis, in vitro evaluation and conformational study of several small-size peptides acting as antibacterial agents are reported. Among the compounds evaluated, the peptides Arg-Gln-Ile-Lys-Ile-Trp-Arg-Arg-Met-Lys-Trp-Lys-Lys-NH2 , Arg-Gln-Ile-Lys-Ile-Arg-Arg-Met-Lys-Trp-Arg-NH2 , and Arg-Gln-Ile-Trp-Trp-Trp-Trp-Gln-Arg-NH2 exhibited significant antibacterial activity. These were found to be very active antibacterial compounds, considering their small molecular size. In order to better understand the antibacterial activity obtained for these peptides, an exhaustive conformational analysis was performed, using both theoretical calculations and experimental measurements. Molecular dynamics simulations using two different media (water and trifluoroethanol/water) were employed. The results of these theoretical calculations were corroborated by experimental circular dichroism measurements. A brief discussion on the possible mechanism of action of these peptides at molecular level is also presented. Some of the peptides reported here constitute very interesting structures to be used as starting compounds for the design of new small-size peptides possessing antibacterial activity. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical Analysis of Optical Absorption and Emission in Mixed Noble Metal Nanoclusters.

PubMed

Day, Paul N; Pachter, Ruth; Nguyen, Kiet A

2018-04-26

In this work, we studied theoretically two hybrid gold-silver clusters, which were reported to have dual-band emission, using density functional theory (DFT) and linear and quadratic response time-dependent DFT (TDDFT). Hybrid functionals were found to successfully predict absorption and emission, although explanation of the NIR emission from the larger cluster (cluster 1) requires significant vibrational excitation in the final state. For the smaller cluster (cluster 2), the Δ H(0-0) value calculated for the T1 → S0 transition, using the PBE0 functional, is in good agreement with the measured NIR emission, and the calculated T2 → S0 value is in fair agreement with the measured visible emission. The calculated T1 → S0 phosphorescence Δ H(0-0) for cluster 1 is close to the measured visible emission energy. In order for the calculated phosphorescence for cluster 1 to agree with the intense NIR emission reported experimentally, the vibrational energy of the final state (S0) is required to be about 0.7 eV greater than the zero-point vibrational energy.

Theoretical investigations of the role played by quercetinase enzymes upon the flavonoids oxygenolysis mechanism.

PubMed

Antonczak, Serge; Fiorucci, Sébastien; Golebiowski, Jérôme; Cabrol-Bass, Daniel

2009-03-14

Quercetinase enzymatic activity consists in the addition of dioxygen onto flavonoids, some natural polyphenol compounds, leading to the production of both molecular carbon monoxide and to the structurally related depside compound. Experimental studies have reported degradation rates of various flavonoids by such enzymes that can not be directly correlated neither to the number nor to the place of the hydroxyl groups. In order to decipher the role of these functions, we have theoretically characterised the stationary points of various flavonoids oxygenolysis mechanisms by density functional quantum methods. Thus in the present study are reported the main energetic, structural and electronic features that drive this degradation. Together with previous analysis from MD simulations taking into account the dynamic behaviour of the substrate embedded in the enzyme cavity, the present results show that the role of the enzyme, in terms of structural and electronic effects, can not be neglected. Thus, we propose here that deformations of the substrate induced by the enzyme could originate the differences in the degradation rates experimentally observed.

The design and testing of a caring teaching model based on the theoretical framework of caring in the Chinese Context: a mixed-method study.

PubMed

Guo, Yujie; Shen, Jie; Ye, Xuchun; Chen, Huali; Jiang, Anli

2013-08-01

This paper aims to report the design and test the effectiveness of an innovative caring teaching model based on the theoretical framework of caring in the Chinese context. Since the 1970's, caring has been a core value in nursing education. In a previous study, a theoretical framework of caring in the Chinese context is explored employing a grounded theory study, considered beneficial for caring education. A caring teaching model was designed theoretically and a one group pre- and post-test quasi-experimental study was administered to test its effectiveness. From Oct, 2009 to Jul, 2010, a cohort of grade-2 undergraduate nursing students (n=64) in a Chinese medical school was recruited to participate in the study. Data were gathered through quantitative and qualitative methods to evaluate the effectiveness of the caring teaching model. The caring teaching model created an esthetic situation and experiential learning style for teaching caring that was integrated within the curricula. Quantitative data from the quasi-experimental study showed that the post-test scores of each item were higher than those on the pre-test (p<0.01). Thematic analysis of 1220 narratives from students' caring journals and reports of participant class observation revealed two main thematic categories, which reflected, from the students' points of view, the development of student caring character and the impact that the caring teaching model had on this regard. The model could be used as an integrated approach to teach caring in nursing curricula. It would also be beneficial for nursing administrators in cultivating caring nurse practitioners. Copyright © 2012 Elsevier Ltd. All rights reserved.

A qualitative grounded theory study of the conceptions of clinical practice in osteopathy - a continuum from technical rationality to professional artistry.

PubMed

Thomson, Oliver P; Petty, Nicola J; Moore, Ann P

2014-02-01

How practitioners conceive clinical practice influences many aspects of their clinical work including how they view knowledge, clinical decision-making, and their actions. Osteopaths have relied upon the philosophical and theoretical foundations upon which the profession was built to guide clinical practice. However, it is currently unknown how osteopaths conceive clinical practice, and how these conceptions develop and influence their clinical work. This paper reports the conceptions of practice of experienced osteopaths in the UK. A constructivist grounded theory approach was taken in this study. The constant comparative method of analysis was used to code and analyse data. Purposive sampling was employed to initially select participants. Subsequent theoretical sampling, informed by data analysis, allowed specific participants to be sampled. Data collection methods involved semi-structured interviews and non-participant observation of practitioners during a patient appointment, which was video-recorded and followed by a video-prompted reflective interview. Participants' conception of practice lay on a continuum, from technical rationality to professional artistry and the development of which was influenced by their educational experience, view of health and disease, epistemology of practice knowledge, theory-practice relationship and their perceived therapeutic role. The findings from this study provide the first theoretical insight of osteopaths' conceptions of clinical practice and the factors which influence such conceptions. Copyright © 2013 Elsevier Ltd. All rights reserved.

Three regularities of recognition memory: the role of bias.

PubMed

Hilford, Andrew; Maloney, Laurence T; Glanzer, Murray; Kim, Kisok

2015-12-01

A basic assumption of Signal Detection Theory is that decisions are made on the basis of likelihood ratios. In a preceding paper, Glanzer, Hilford, and Maloney (Psychonomic Bulletin & Review, 16, 431-455, 2009) showed that the likelihood ratio assumption implies that three regularities will occur in recognition memory: (1) the Mirror Effect, (2) the Variance Effect, (3) the normalized Receiver Operating Characteristic (z-ROC) Length Effect. The paper offered formal proofs and computational demonstrations that decisions based on likelihood ratios produce the three regularities. A survey of data based on group ROCs from 36 studies validated the likelihood ratio assumption by showing that its three implied regularities are ubiquitous. The study noted, however, that bias, another basic factor in Signal Detection Theory, can obscure the Mirror Effect. In this paper we examine how bias affects the regularities at the theoretical level. The theoretical analysis shows: (1) how bias obscures the Mirror Effect, not the other two regularities, and (2) four ways to counter that obscuring. We then report the results of five experiments that support the theoretical analysis. The analyses and the experimental results also demonstrate: (1) that the three regularities govern individual, as well as group, performance, (2) alternative explanations of the regularities are ruled out, and (3) that Signal Detection Theory, correctly applied, gives a simple and unified explanation of recognition memory data.

The Far Infrared Vibration-Rotation Spectrum of the Ammonia Dimer.

NASA Astrophysics Data System (ADS)

Loeser, Jennifer Gertrud

1995-11-01

The ammonia dimer has been shown to exhibit unusual weak bonding properties relative to those of the other prototypical second row systems, the hydrogen fluoride dimer and the water dimer. The ultimate goal of the work initiated in this dissertation is to determine a complete intermolecular potential energy surface for the ammonia dimer. It is first necessary to observe its far infrared vibration-rotation-tunneling (VRT) spectrum and to develop a group theoretical model that explains this spectrum in terms of the internal dynamics of the ammonia dimer. These first steps are the subject of this dissertation. First, the current understanding of the ammonia dimer system is reviewed. Group theoretical descriptions of the nature of the ammonia dimer VRT states are explained in detail. An overview of the experimental and theoretical studies of the ammonia dimer made during the last decade is presented. Second, progress on the analysis of the microwave and far infrared spectrum of (ND_3)_2 below 13 cm^{-1} is reported. These spectra directly measure the 'donor -acceptor' interchange splittings in (ND_3) _2, and determine some of the monomer umbrella inversion tunneling splittings. Third, new 80-90 cm^{-1} far infrared spectra of (NH_3)_2 are presented and a preliminary analysis is proposed. Most of the new excited VRT states have been assigned as tunneling sublevels of an out-of-plane intermolecular vibration.

The development and psychometric testing of East Asian Acculturation Scale among Asian immigrant women in Taiwan.

PubMed

Kuo, Shu-Fen; Chang, Wen-Yin; Chang, Lu-I; Chou, Yu-Hua; Chen, Ching-Min

2013-01-01

This is a report of development and psychometric testing of the East Asian Acculturation Measure-Chinese version (EAAM-C) scale. An instrument validation design with a cross-sectional survey was conducted. The process was carried in two phases. In Phase 1, Barry's East Asian Acculturation Measure was translated and back translated to evaluate its content, face validity, and feasibility validity. In Phase 2, the 16-item EAAM-C was pilot-tested among 485 female immigrants for test-retest reliability, internal consistency, theoretically-supported construct validity and concurrent validity. The pilot work and the survey results indicated the tools possessed adequate content and face validity. The Cronbach's Alphas for the EAAM-C was 0.72, and 0.76-0.79 for its subscales, and the correlation of test-retest reliability (at 3 weeks) was 0.75. After dropping one item, four theoretically-supported factors which explained 61.82% of the variance were abstracted using exploratory factor analysis: assimilation, integration, separation, and marginalization. Based on the underlying four-factor theoretical structures of the EAAM, the confirmatory factor analysis of the EAAM-C was further examined. The analysis revealed that the four-factor model was an acceptable fit for the data which demonstrated adequate finding in its construct validity. These factors were inter-correlated, and showed statistically significant correlation with the Chinese Health Questionnaire, indicating adequate concurrent validity. The scale shows acceptable validity and consistency, and suggests that immigrant acculturation is a complex construct. This quick evaluation instrument can be applied to assess clients' acculturation and in further developing certain interventions to improve their health.

Defining bioterrorism preparedness for nurses: concept analysis.

PubMed

Rebmann, Terri

2006-06-01

This paper reports a concept analysis to define the concept of nursing bioterrorism preparedness. Nursing bioterrorism preparedness is necessary, yet no theoretical or operational definition exists. The concept is often misinterpreted as being synonymous with organizational preparedness or confused with the bioterrorism preparedness needs of other professions, such as medicine. There is no standardized definition of the concept that is specific to the profession of nursing. A concept analysis was conducted using a systematic literature review; the Cumulative Index to Nursing and Allied Health Literature, Psych Info and Medline databases for years 1966-2005 were used. One hundred and eighteen references were identified, 41 of which were deemed relevant. Data from the 41 relevant articles were analysed and synthesized to develop a theoretical definition, defining attributes, antecedents, consequences and related concepts. Nursing bioterrorism preparedness is the continual process of nurses becoming better prepared to recognize and respond to a bioterrorism attack. Nurses, regardless of their level of education, areas of expertise or practice settings must participate in at least one educational session and one exercise each year to meet the minimum requirements of engaging in the bioterrorism preparedness process. The antecedents are acceptance and readiness to change. Defining attributes include gaining knowledge, planning, practising response behaviours and evaluating knowledge level and content of response plan. Consequences include recognition of an event and implementation of appropriate response actions. Nursing bioterrorism preparedness is essential. To assess nurses' level of preparedness, a definition is needed of what bioterrorism preparedness means to the profession. The theoretical definition developed in this paper needs to be further refined and operationalized.

Generalized Kapchinskij-Vladimirskij Distribution and Beam Matrix for Phase-Space Manipulations of High-Intensity Beams

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

Chung, Moses; Qin, Hong; Davidson, Ronald C.

In an uncoupled linear lattice system, the Kapchinskij-Vladimirskij (KV) distribution formulated on the basis of the single-particle Courant-Snyder invariants has served as a fundamental theoretical basis for the analyses of the equilibrium, stability, and transport properties of high-intensity beams for the past several decades. Recent applications of high-intensity beams, however, require beam phase-space manipulations by intentionally introducing strong coupling. Here in this Letter, we report the full generalization of the KV model by including all of the linear (both external and space-charge) coupling forces, beam energy variations, and arbitrary emittance partition, which all form essential elements for phase-space manipulations. Themore » new generalized KV model yields spatially uniform density profiles and corresponding linear self-field forces as desired. Finally, the corresponding matrix envelope equations and beam matrix for the generalized KV model provide important new theoretical tools for the detailed design and analysis of high-intensity beam manipulations, for which previous theoretical models are not easily applicable.« less

Mode-coupling theoretical study on the roles of heterogeneous structure in rheology of ionic liquids.

PubMed

Yamaguchi, Tsuyoshi

2016-03-28

Theoretical calculations of the rheological properties of coarse-grained model ionic liquids were performed using mode-coupling theory. The nonpolar part of the cation was systematically increased in order to clarify the effects of the heterogeneous structure on shear viscosity. The shear viscosity showed a minimum as the function of the size of the nonpolar part, as had been reported in literatures. The minimum was ascribed to the interplay between the increase in the shear relaxation time and the decrease in the high-frequency shear modulus with increasing the size of the nonpolar part of the cation. The ionic liquids with symmetric charge distribution of cations were less viscous than those with asymmetric cations, which is also in harmony with experiments. The theoretical analysis demonstrated that there are two mechanisms for the higher viscosity of the asymmetric model. The first one is the direct coupling between the domain dynamics and the shear stress. The second one is that the microscopic dynamics within the polar domain is retarded due to the nonlinear coupling with the heterogeneous structure.

Structure and Electronic Spectra of Purine-Methyl Viologen Charge Transfer Complexes

PubMed Central

Jalilov, Almaz S.; Patwardhan, Sameer; Singh, Arunoday; Simeon, Tomekia; Sarjeant, Amy A.; Schatz, George C.; Lewis, Frederick D.

2014-01-01

The structure and properties of the electron donor-acceptor complexes formed between methyl viologen (MV) and purine nucleosides and nucleotides in water and the solid state have been investigated using a combination of experimental and theoretical methods. Solution studies were performed using UV-vis and 1H NMR spectroscopy. Theoretical calculations were performed within the framework of density functional theory (DFT). Energy decomposition analysis indicates that dispersion and induction (charge-transfer) interactions dominate the total binding energy, whereas electrostatic interactions are largely repulsive. The appearance of charge transfer bands in the absorption spectra of the complexes are well described by time-dependent (TD) DFT and are further explained in terms of the redox properties of purine monomers and solvation effects. Crystal structures are reported for complexes of methyl viologen with the purines 2′-deoxyguanosine 3′-monophosphate GMP (DAD′DAD′ type) and 7-deazaguanosine zG (DAD′ADAD′ type). Comparison of the structures determined in the solid state and by theoretical methods in solution provides valuable insights into the nature of charge-transfer interactions involving purine bases as electron donors. PMID:24294996

Generalized Kapchinskij-Vladimirskij Distribution and Beam Matrix for Phase-Space Manipulations of High-Intensity Beams

DOE PAGES

Chung, Moses; Qin, Hong; Davidson, Ronald C.; ...

2016-11-23

In an uncoupled linear lattice system, the Kapchinskij-Vladimirskij (KV) distribution formulated on the basis of the single-particle Courant-Snyder invariants has served as a fundamental theoretical basis for the analyses of the equilibrium, stability, and transport properties of high-intensity beams for the past several decades. Recent applications of high-intensity beams, however, require beam phase-space manipulations by intentionally introducing strong coupling. Here in this Letter, we report the full generalization of the KV model by including all of the linear (both external and space-charge) coupling forces, beam energy variations, and arbitrary emittance partition, which all form essential elements for phase-space manipulations. Themore » new generalized KV model yields spatially uniform density profiles and corresponding linear self-field forces as desired. Finally, the corresponding matrix envelope equations and beam matrix for the generalized KV model provide important new theoretical tools for the detailed design and analysis of high-intensity beam manipulations, for which previous theoretical models are not easily applicable.« less

Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

PubMed

Ahmed, Marawan; Wang, Feng; Acres, Robert G; Prince, Kevin C

2014-05-22

The electronic structures and properties of 2-oxazolidinone and the related compound cycloserine (CS) have been investigated using theoretical calculations and core and valence photoelectron spectroscopy. Isomerization of the central oxazolidine heterocycle and the addition of an amino group yield cycloserine. Theory correctly predicts the C, N, and O 1s core spectra, and additionally, we report theoretical natural bond orbital (NBO) charges. The valence ionization energies are also in agreement with theory and previous measurements. Although the lowest binding energy part of the spectra of the two compounds shows superficial similarities, further analysis of the charge densities of the frontier orbitals indicates substantial reorganization of the wave functions as a result of isomerization. The highest occupied molecular orbital (HOMO) of CS shows leading carbonyl π character with contributions from other heavy (non-H) atoms in the molecule, while the HOMO of 2-oxazolidinone (OX2) has leading nitrogen, carbon, and oxygen pπ characters. The present study further theoretically predicts bond resonance effects of the compounds, evidence for which is provided by our experimental measurements and published crystallographic data.

Low loss GaN waveguides at the visible spectral wavelengths for integrated photonics applications.

PubMed

Chen, Hong; Fu, Houqiang; Huang, Xuanqi; Zhang, Xiaodong; Yang, Tsung-Han; Montes, Jossue A; Baranowski, Izak; Zhao, Yuji

2017-12-11

We perform comprehensive studies on the fundamental loss mechanisms in III-nitride waveguides in the visible spectral region. Theoretical analysis shows that free carrier loss dominates for GaN under low photon power injection. When optical power increases, the two photon absorption loss becomes important and eventually dominates when photon energy above half-bandgap of GaN. When the dimensions of the waveguides reduce, the sidewall scattering loss will start to dominate. To verify the theoretical results, a high performance GaN-on-sapphire waveguide was fabricated and characterized. Experimental results are consistent with the theoretical findings, showing that under high power injection the optical loss changed significantly for GaN waveguides. A low optical loss ~2 dB/cm was achieved on the GaN waveguide, which is the lowest value ever reported for the visible spectral range. The results and fabrication processes developed in this work pave the way for the development of III-nitride integrated photonics in the visible and potentially ultraviolet spectral range for nonlinear optics and quantum photonics applications.

Cost Analysis for Dual Source Weapon Procurement

DTIC Science & Technology

1983-10-01

no change in the unit production cost of weapon systems. The theoretical foundation of a production rate impact on cost is closely related to - he...Yet the impact on procure- aent costs of these rate changes is not generally under- stood. Empirical studies in recent years have documented cases where...slbpe of th:. rate/cost curve.- Using this equation, Kratz, et al., reported the pric- reac- tions attributable to a change in production rate. Of th? 11

Spectral gain investigation of large size OPCPA based on partially deuterated KDP

NASA Astrophysics Data System (ADS)

Galimberti, Marco; Boyle, Alexis; Musgrave, Ian O.; Oliveira, Pedro; Pepler, Dave; Shaikh, Waseem; Winstone, Trevor B.; Wyatt, Adam; Hernandez-Gomez, Cristina

2018-01-01

The Optical Parametric Chirped Pulse Amplification is one of the most promising techniques to deliver 20PW laser system. The already available KD*P in large size is a good candidate as nonlinear crystal. In this article we report the experimental analysis of the spectral small signal gain for KD*P at 70% deuteration level for different phase matching and non-collinear angle. The data is also compared with a theoretical model.

Theoretical considerations of some nonlinear aspects of hypersonic panel flutter

NASA Technical Reports Server (NTRS)

Mcintosh, S. C., Jr.

1974-01-01

A research project to analyze the effects of hypersonic nonlinear aerodynamic loading on panel flutter is reported. The test equipment and procedures for conducting the tests are explained. The effects of aerodynamic linearities on stability were evaluated by determining constant-initial-energy amplitude-sensitive stability boundaries and comparing them with the corresponding linear stability boundaries. An attempt to develop an alternative method of analysis for systems where amplitude-sensitive instability is possible is presented.

Linear Quantum Systems: Non-Classical States and Robust Stability

DTIC Science & Technology

2016-06-29

has a history going back some 50 years, to the birth of modern control theory with Kalman’s foundational work on filtering and LQG optimal control ...information   if it does not display a currently valid OMB control number. PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ORGANIZATION. 1. REPORT DATE (DD...analysis and control of quantum linear systems and their interactions with non-classical quantum fields by developing control theoretic concepts exploiting

Modelling of eddy currents related to large angle magnetic suspension test fixture

NASA Technical Reports Server (NTRS)

Britcher, Colin P.; Foster, Lucas E.

1994-01-01

This report presents a preliminary analysis of the mathematical modelling of eddy current effects in a large-gap magnetic suspension system. It is shown that eddy currents can significantly affect the dynamic behavior and control of these systems, but are amenable to measurement and modelling. A theoretical framework is presented, together with a comparison of computed and experimental data related to the Large Angle Magnetic Suspension Test Fixture at NASA Langley Research Center.

Theoretical Analysis of Cancer Detection in the Human Breast by Transillumination.

DTIC Science & Technology

1987-12-01

wavelength spectrum and increases in the near infrared. In 1983, Bartrum and Crow (5:409) reported that transillumination light scanning can yield clinical ...results comparable to mamnography if Athe personnel who are interpreting light scan images are trained and have some knowledge of other clinical data...related to the patient. When -4- QW !N N 11111111 ’ 1111111! I iil 11 l~ i m the light scan interpreter is blind to other relevant clinical data, a

Physical, Psychological and Emotional Benefits of Green Physical Activity: An Ecological Dynamics Perspective.

PubMed

Yeh, Hsiao-Pu; Stone, Joseph Antony; Churchill, Sarah May; Wheat, Jonathan Stephen; Brymer, Eric; Davids, Keith

2016-07-01

Increasing evidence supports the multiple benefits to physical, psychological and emotional wellbeing of green physical activity, a topic of increasing interest in the past decade. Research has revealed a synergistic benefit of green physical activity, which includes all aspects of exercise and physical activity in the presence of nature. Our theoretical analysis suggests there are three distinct levels of engagement in green physical activity, with each level reported to have a positive effect on human behaviours. However, the extent to which each level of green physical activity benefits health and wellbeing is assumed to differ, requiring confirmation in future research. This elucidation of understanding is needed because previous literature has tended to focus on recording empirical evidence rather than developing a sound theoretical framework to understand green physical activity effects. Here we propose an ecological dynamics rationale to explain how and why green physical activity might influence health and wellbeing of different population groups. This framework suggests a number of unexplored, interacting constraints related to types of environment and population groups, which shape reported levels of benefit of green physical activity. Further analysis is needed to clarify the explicit relationship between green physical activity and health and wellbeing, including levels of engagement, types of environmental constraints, levels of physical activity, adventure effects, skill effects and sampling of different populations.

Theoretical investigation on the microstructure of triethylene glycol based deep eutectic solvents: COSMO-RS and TURBOMOLE prediction

NASA Astrophysics Data System (ADS)

Aissaoui, Tayeb; Benguerba, Yacine; AlNashef, Inas M.

2017-08-01

The in-silico combination mechanism of triethylene glycol based DESs has been studied. COSMO-RS and graphical user interface TmoleX software were used to predict the interaction mechanism of hydrogen bond donors (HBDs) with hydrogen bond acceptors (HBA) to form DESs. The predicted IR results were compared with the previously reported experimental FT-IR analysis for the same studied DESs. The sigma profiles for the HBD, HBAs and formed DESs were interpreted to identify qualitatively molecular properties like polarity or hydrogen bonding donor and acceptor abilities. The predicted physicochemical properties reported in this study were in good agreement with experimental ones.

Fundamental studies of stress distributions and stress relaxation in oxide scales on high temperature alloys. [Final progress report

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

Shores, D.A.; Stout, J.H.; Gerberich, W.W.

1993-06-01

This report summarizes a three-year study of stresses arising in the oxide scale and underlying metal during high temperature oxidation and of scale cracking. In-situ XRD was developed to measure strains during oxidation over 1000{degrees}C on pure metals. Acoustic emission was used to observe scale fracture during isothermal oxidation and cooling, and statistical analysis was used to infer mechanical aspects of cracking. A microscratch technique was used to measure the fracture toughness of scale/metal interface. A theoretical model was evaluated for the development and relaxation of stresses in scale and metal substrate during oxidation.

FIBER AND INTEGRATED OPTICS: Optical anisotropy induced in a round trip through single-mode optical waveguides and methods for suppression of this anisotropy

NASA Astrophysics Data System (ADS)

Gelikonov, V. M.; Leonov, V. I.; Novikov, M. A.

1989-09-01

An analysis is made of the characteristics of the transformation of the polarization of light in the course of a round trip in a single-mode fiber waveguide. The Poincaré equivalence theorems are generalized for a round trip through such fibers. An investigation is reported of round-trip anisotropic properties which can be used to compensate for a regular and an irregular anisotropy of a fiber waveguide. A description is given of a compensation system containing a Faraday cell and an experimental check of the theoretical conclusions is reported.

Nitroxide stable radicals interacting as Lewis bases in hydrogen bonds: A search in the Cambridge structural data base for intermolecular contacts

NASA Astrophysics Data System (ADS)

Alkorta, Ibon; Elguero, José; Elguero, Eric

2017-11-01

1125 X-ray structures of nitroxide free radicals presenting intermolecular hydrogen bonds have been reported in the Cambridge Structural Database. We will report in this paper a qualitative and quantitative analysis of these bonds. The observation in some plots of an excluded region was statistically analyzed using convex hull and kernel smooting methodologies. A theoretical study at the MP2 level with different basis has been carried out indicating that the nitronyl nitroxide radicals (five electrons) lie just in between nitroso compounds (four electrons) and amine N-oxides (six electrons) as far as hydrogen-bond basicity is concerned.

Theoretical Studies of Processes Affecting the Stratospheric and Free Tropospheric Aerosols

NASA Technical Reports Server (NTRS)

Hamill, Patrick

1999-01-01

This report describes the work done with funding from NASA Grant during the past three years. Funding commenced in June, 1996 and had a planned duration of three years. This report covers the time period June 1996 to June 1999. Here we present a short description of the projects carried out and documentation of the work done in terms of publications, papers presented, and conferences attended: microphysical modeling consist of two related tasks (1) development of a simple microphysical model for modeling the Pinatubo plume and (2) carrying out a study of sulfate particle formation in volcanic plume.Also analysis of sun photometer measurements are presented.

Subject descriptions, control groups, and research designs in published studies of language-impaired children.

PubMed

Schmitt, J F; Meline, T J

1990-12-01

We reviewed the 1983-1988 issues of six journals that frequently publish papers including specifically language-impaired (LI) subjects. A total of 92 research reports provided data for our review. The research reports included experimental studies, ex post facto studies, and intervention studies. These studies represent a broad spectrum of the theoretical and empirical foundations of knowledge regarding LI children. The analysis of the published research centered on subject descriptions and the use of control groups. A descriptive analysis of the data showed few consistent trends among the studies with respect to subject selection, subject description, and the number and types of control groups. We discuss the importance of more complete subject descriptions in studies of LI children as well as the importance of the choice of matching criteria for control groups in between-subjects designs.

Developing a Theoretical Framework to Illustrate Associations Among Patient Satisfaction, Body Image and Quality of Life for Women Undergoing Breast Reconstruction

PubMed Central

Fingeret, Michelle Cororve; Nipomnick, Summer; Crosby, Melissa A.; Reece, Gregory P.

2013-01-01

Within the field of breast reconstruction there is increasing focus on patient-reported outcomes related to satisfaction, body image, and quality of life. These outcomes are deemed highly relevant because the primary goal of breast reconstruction is to recreate the appearance of a breast (or breasts) that is satisfying to the patient. Prominent researchers have suggested the need to develop improved standards for outcome evaluation which can ultimately benefit patients as well as physicians. The purpose of this article is to summarize key findings in the area of patient-reported outcomes for breast reconstruction and introduce a theoretical framework for advancing research in this field. We conducted an extensive literature review of outcome studies for breast reconstruction focusing on patient-reported results. We developed a theoretical framework illustrating core patient-reported outcomes related to breast reconstruction and factors associated with these outcomes. Our theoretical model highlights domains and distinguishing features of patient satisfaction, body image, and quality of life outcomes for women undergoing breast reconstruction. This model further identifies a broad range of variables (e.g., historical/premorbid influences, disease and treatment-related factors) that have been found to influence patient-reported outcomes and need to be taken into consideration when designing future research in this area. Additional attention is given to examining the relationship between patient reported outcomes and outside evaluation of breast reconstruction. Our proposed theoretical framework suggests key opportunities to expand research in this area with the goal of optimizing body image adjustment, satisfaction, and psychosocial outcomes for the individual patient. PMID:23380309

Limitations of poster presentations reporting educational innovations at a major international medical education conference

PubMed Central

Gordon, Morris; Darbyshire, Daniel; Saifuddin, Aamir; Vimalesvaran, Kavitha

2013-01-01

Background In most areas of medical research, the label of ‘quality’ is associated with well-accepted standards. Whilst its interpretation in the field of medical education is contentious, there is agreement on the key elements required when reporting novel teaching strategies. We set out to assess if these features had been fulfilled by poster presentations at a major international medical education conference. Methods Such posters were analysed in four key areas: reporting of theoretical underpinning, explanation of instructional design methods, descriptions of the resources needed for introduction, and the offering of materials to support dissemination. Results Three hundred and twelve posters were reviewed with 170 suitable for analysis. Forty-one percent described their methods of instruction or innovation design. Thirty-three percent gave details of equipment, and 29% of studies described resources that may be required for delivering such an intervention. Further resources to support dissemination of their innovation were offered by 36%. Twenty-three percent described the theoretical underpinning or conceptual frameworks upon which their work was based. Conclusions These findings suggest that posters presenting educational innovation are currently limited in what they offer to educators. Presenters should seek to enhance their reporting of these crucial aspects by employing existing published guidance, and organising committees may wish to consider explicitly requesting such information at the time of initial submission. PMID:24199272

Final Report May 1, 2012 to May 31, 2015: "Theoretical Studies in Elementary Particle Physics"

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

Collins, John C.; Roiban, Radu

2015-08-19

This final report summarizes work at Penn State University from May 1, 2012 to May 31, 2015. The work was in theoretical elementary particle physics. Many new results in perturbative QCD, in string theory, and in related areas were obtained, with a substantial impact on the experimental program.

A Literature Review of Gaming in Education. Research Report

ERIC Educational Resources Information Center

McClarty, Katie Larsen; Orr, Aline; Frey, Peter M.; Dolan, Robert P.; Vassileva, Victoria; McVay, Aaron

2012-01-01

The use of simulations and digital games in learning and assessment is expected to increase over the next several years. Although there is much theoretical support for the benefits of digital games in learning and education, there is mixed empirical support. This research report provides an overview of the theoretical and empirical evidence behind…

The Relationship between Early Elementary Teachers' Instructional Practices and Theoretical Orientations and Students' Growth in Writing

ERIC Educational Resources Information Center

Ritchey, Kristen D.; Coker, David L., Jr.; Jackson, Allison F.

2015-01-01

We investigated the relationship between 28 teachers' theoretical orientations to writing instruction and self-reported instructional practices and student writing performance. First-, second-, and third-grade teachers completed the Teacher Writing Orientation Scale developed by Graham, Harris, MacArthur, and Fink (2002) and reported the frequency…

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 ).

Fourier spectra of resonant nuclear forward scattering: lineshape dependence on absorber thickness distribution

NASA Astrophysics Data System (ADS)

Rykov, A. I.; Nomura, K.; Wang, J.

2013-08-01

We report on recent developments in the analysis of nuclear forward scattering (NFS) using the Fourier transformation of measured time spectra. In the frequency domain, it is shown that the lineshape is generally described by the convolution of two intensity factors. One of them is Lorentzian related to free decay. We derived the expressions for the second factor related to the Frenkel exciton polariton formed in Mössbauer media. For stray particles of a powder spread over a 2D surface the particle size distribution can be derived from Mössbauer thickness distribution. The thickness-related lineshape is deconvolved through sharpening the Fourier NFS spectra. The lineshapes in these sharpened spectra are theoretically expressed via the parameters of the particle size distributions. Through fitting the lineshapes with our theoretical expressions the particle size distribution parameters were determined.

Information-seeking behavior during residency is associated with quality of theoretical learning, academic career achievements, and evidence-based medical practice: a strobe-compliant article.

PubMed

Oussalah, Abderrahim; Fournier, Jean-Paul; Guéant, Jean-Louis; Braun, Marc

2015-02-01

Data regarding knowledge acquisition during residency training are sparse. Predictors of theoretical learning quality, academic career achievements and evidence-based medical practice during residency are unknown. We performed a cross-sectional study on residents and attending physicians across several residency programs in 2 French faculties of medicine. We comprehensively evaluated the information-seeking behavior (I-SB) during residency using a standardized questionnaire and looked for independent predictors of theoretical learning quality, academic career achievements, and evidence-based medical practice among I-SB components using multivariate logistic regression analysis. Between February 2013 and May 2013, 338 fellows and attending physicians were included in the study. Textbooks and international medical journals were reported to be used on a regular basis by 24% and 57% of the respondents, respectively. Among the respondents, 47% refer systematically (4.4%) or frequently (42.6%) to published guidelines from scientific societies upon their publication. The median self-reported theoretical learning quality score was 5/10 (interquartile range, 3-6; range, 1-10). A high theoretical learning quality score (upper quartile) was independently and strongly associated with the following I-SB components: systematic reading of clinical guidelines upon their publication (odds ratio [OR], 5.55; 95% confidence interval [CI], 1.77-17.44); having access to a library that offers the leading textbooks of the specialty in the medical department (OR, 2.45, 95% CI, 1.33-4.52); knowledge of the specialty leading textbooks (OR, 2.12; 95% CI, 1.09-4.10); and PubMed search skill score ≥5/10 (OR, 1.94; 95% CI, 1.01-3.73). Research Master (M2) and/or PhD thesis enrolment were independently and strongly associated with the following predictors: PubMed search skill score ≥5/10 (OR, 4.10; 95% CI, 1.46-11.53); knowledge of the leading medical journals of the specialty (OR, 3.33; 95% CI, 1.32-8.38); attending national and international academic conferences and meetings (OR, 2.43; 95% CI, 1.09-5.43); and using academic theoretical learning supports several times a week (OR, 2.23; 95% CI, 1.11- 4.49). This study showed weaknesses in the theoretical learning framework during residency. I-SB was independently associated with quality of academic theoretical learning, academic career achievements, and the use of evidence-based medicine in everyday clinical practice. CNIL No.1797639.

Finite Element Analysis of Walking Beam of a New Compound Adjustment Balance Pumping Unit

NASA Astrophysics Data System (ADS)

Wu, Jufei; Wang, Qian; Han, Yunfei

2017-12-01

In this paper, taking the designer of the new compound balance pumping unit beam as our research target, the three-dimensional model is established by Solid Works, the load and the constraint are determined. ANSYS Workbench is used to analyze the tail and the whole of the beam, the stress and deformation are obtained to meet the strength requirements. The finite element simulation and theoretical calculation of the moment of the center axis beam are carried out. The finite element simulation results are compared with the calculated results of the theoretical mechanics model to verify the correctness of the theoretical calculation. Finally, the finite element analysis is consistent with the theoretical calculation results. The theoretical calculation results are preferable, and the bending moment value provides the theoretical reference for the follow-up optimization and research design.

Induced charge electroosmosis micropumps using arrays of Janus micropillars.

PubMed

Paustian, Joel S; Pascall, Andrew J; Wilson, Neil M; Squires, Todd M

2014-09-07

We report on a microfluidic AC-driven electrokinetic pump that uses Induced Charge Electro-Osmosis (ICEO) to generate on-chip pressures. ICEO flows occur when a bulk electric field polarizes a metal object to induce double layer formation, then drives electroosmotic flow. A microfabricated array of metal-dielectric Janus micropillars breaks the symmetry of ICEO flow, so that an AC electric field applied across the array drives ICEO flow along the length of the pump. When pumping against an external load, a pressure gradient forms along the pump length. The design was analyzed theoretically with the reciprocal theorem. The analysis reveals a maximum pressure and flow rate that depend on the ICEO slip velocity and micropillar geometry. We then fabricate and test the pump, validating our design concept by demonstrating non-local pressure driven flow using local ICEO slip flows. We varied the voltage, frequency, and electrolyte composition, measuring pump pressures of 15-150 Pa. We use the pump to drive flows through a high-resistance microfluidic channel. We conclude by discussing optimization routes suggested by our theoretical analysis to enhance the pump pressure.

Structure-based virtual screening and characterization of a novel IL-6 antagonistic compound from synthetic compound database.

PubMed

Wang, Jing; Qiao, Chunxia; Xiao, He; Lin, Zhou; Li, Yan; Zhang, Jiyan; Shen, Beifen; Fu, Tinghuan; Feng, Jiannan

2016-01-01

According to the three-dimensional (3D) complex structure of (hIL-6⋅hIL-6R⋅gp 130) 2 and the binding orientation of hIL-6, three compounds with high affinity to hIL-6R and bioactivity to block hIL-6 in vitro were screened theoretically from the chemical databases, including 3D-Available Chemicals Directory (ACD) and MDL Drug Data Report (MDDR), by means of the computer-guided virtual screening method. Using distance geometry, molecular modeling and molecular dynamics trajectory analysis methods, the binding mode and binding energy of the three compounds were evaluated theoretically. Enzyme-linked immunosorbent assay analysis demonstrated that all the three compounds could block IL-6 binding to IL-6R specifically. However, only compound 1 could effectively antagonize the function of hIL-6 and inhibit the proliferation of XG-7 cells in a dose-dependent manner, whereas it showed no cytotoxicity to SP2/0 or L929 cells. These data demonstrated that the compound 1 could be a promising candidate of hIL-6 antagonist.

Influence of heterogeneity on second-kind self-similar solutions for viscous gravity currents

DOE PAGES

Zheng, Zhong; Christov, Ivan  C.; Stone, Howard  A.

2014-05-01

We report experimental, theoretical and numerical results on the effects of horizontal heterogeneities on the propagation of viscous gravity currents. We use two geometries to highlight these effects: (a) a horizontal channel (or crack) whose gap thickness varies as a power-law function of the streamwise coordinate; (b) a heterogeneous porous medium whose permeability and porosity have power-law variations. We demonstrate that two types of self-similar behaviours emerge as a result of horizontal heterogeneity: (a) a first-kind self-similar solution is found using dimensional analysis (scaling) for viscous gravity currents that propagate away from the origin (a point of zero permeability); (b)more » a second-kind self-similar solution is found using a phase-plane analysis for viscous gravity currents that propagate toward the origin. These theoretical predictions, obtained using the ideas of self-similar intermediate asymptotics, are compared with experimental results and numerical solutions of the governing partial differential equation developed under the lubrication approximation. All three results are found to be in good agreement.« less

Analysis of fusion neutron spectral widths in high-foot implosions at the National Ignition Facility

NASA Astrophysics Data System (ADS)

Grim, Gary; Caggiano, Joseph; Callahan, Debra; Casey, Daniel; Cerjan, Charles; Clark, Daniel; Tilo, Doeppner; Eckart, Mark; Field, John; Frenje, Lars; Gatu-Johnson, Maria; Hartouni, Edward; Hatarik, Robert; Hurricane, Omar; Kilkenny, Joseph; Knauer, James; Ma, Tammy; Mannion, Owen; Munro, David; Park, Hye-Sook; Sayre, Daniel; Spears, Brian; Yeamans, Charles

2015-11-01

We present the latest results of thermal temperature analyses of cryogenically layered deuterium-tritium implosions at the NIF using data from the ``High Foot'' campaign. Data from new analysis methods and interpreted in the context of new theoretical developments will be reported. These data will include DD and DT apparent ion temperatures, their uniformity with direction, inferred plasma thermal temperature, as well as the magnitude of non-thermal contributions to the spectral widths. Work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

a Theoretical Analysis of Physical Properties of Aqueous Trehalose with Borax

NASA Astrophysics Data System (ADS)

Sahara; Aniya, Masaru

2013-07-01

The temperature and composition dependence of the viscosity of aqueous trehalose and aqueous trehalose-borax mixtures has been investigated by means of the Bond Strength-Coordination Number Fluctuation (BSCNF) model. The result indicates that the variation in the fragility of the system is very small in the composition range analyzed. The values of the materials parameters determined are consistent with those of the trehalose-water-lithium iodide system which were analyzed in a previous study. Based on the analysis of the obtained parameters of the BSCNF model, the physical interpretation of the WLF parameters reported in a previous study is reconfirmed.

Differential spatial activity patterns of acupuncture by a machine learning based analysis

NASA Astrophysics Data System (ADS)

You, Youbo; Bai, Lijun; Xue, Ting; Zhong, Chongguang; Liu, Zhenyu; Tian, Jie

2011-03-01

Acupoint specificity, lying at the core of the Traditional Chinese Medicine, underlies the theoretical basis of acupuncture application. However, recent studies have reported that acupuncture stimulation at nonacupoint and acupoint can both evoke similar signal intensity decreases in multiple regions. And these regions were spatially overlapped. We used a machine learning based Support Vector Machine (SVM) approach to elucidate the specific neural response pattern induced by acupuncture stimulation. Group analysis demonstrated that stimulation at two different acupoints (belong to the same nerve segment but different meridians) could elicit distinct neural response patterns. Our findings may provide evidence for acupoint specificity.

Nuclear Physics Laboratory technical progress report, November 1, 1972-- November 1, 1973

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

None

1973-11-01

The experimental program was divided into the areas of nuclear physics (charged-particle experiments, gamma-ray experiments andd beta decay, neutron time-of-flight experiments, x-ray fluorescence analysis, other activities), intermediate enengy physics, and apparatus and facility development. The energy- loss spectrograph, rotating-beam neutron time-of-flight spectrometer, and cyclotron and the rearch done using these facilities are described. The theoretical program has concentrated on the effects of two-step processes in nuclear reactions. The trace element analysis program continued, and a neutron beam for cancer therapy is being developed. Lists of publications and personnel are also included. (RWR)

Optimization Techniques for Analysis of Biological and Social Networks

DTIC Science & Technology

2012-03-28

analyzing a new metaheuristic technique, variable objective search. 3. Experimentation and application: Implement the proposed algorithms , test and fine...alternative mathematical programming formulations, their theoretical analysis, the development of exact algorithms , and heuristics. Originally, clusters...systematic fashion under a unifying theoretical and algorithmic framework. Optimization, Complex Networks, Social Network Analysis, Computational

Analysis of rosen piezoelectric transformers with a varying cross-section.

PubMed

Xue, H; Yang, J; Hu, Y

2008-07-01

We study the effects of a varying cross-section on the performance of Rosen piezoelectric transformers operating with length extensional modes of rods. A theoretical analysis is performed using an extended version of a one-dimensional model developed in a previous paper. Numerical results based on the theoretical analysis are presented.

A Divergence Statistics Extension to VTK for Performance Analysis

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

Pebay, Philippe Pierre; Bennett, Janine Camille

This report follows the series of previous documents ([PT08, BPRT09b, PT09, BPT09, PT10, PB13], where we presented the parallel descriptive, correlative, multi-correlative, principal component analysis, contingency, k -means, order and auto-correlative statistics engines which we developed within the Visualization Tool Kit ( VTK ) as a scalable, parallel and versatile statistics package. We now report on a new engine which we developed for the calculation of divergence statistics, a concept which we hereafter explain and whose main goal is to quantify the discrepancy, in a stasticial manner akin to measuring a distance, between an observed empirical distribution and a theoretical,more » "ideal" one. The ease of use of the new diverence statistics engine is illustrated by the means of C++ code snippets. Although this new engine does not yet have a parallel implementation, it has already been applied to HPC performance analysis, of which we provide an example.« less

Cancer-Related Psychological Distress: A Concept Analysis.

PubMed

Gundelach, Amy; Henry, Barb

2016-12-01

Cancer-related psychological distress, as a concept, has limited research literature substantiation. Several studies report that patients with cancer suffer from significant psychological distress; however, the description of the concept of cancer-related psychological distress has not been clearly described. Theoretical work based on the concept is also unclear. This article is a report on the concept of cancer-related psychological distress to clarify the concept as separate from non-cancer-related psychological distress and promote the use of the term in nursing practice and research across the cancer trajectory. This article used a content analysis to examine the literature. The literature review for this article used CINAHL®, PsycINFO®, and PubMed to search publications from 1999-2016. Content analysis of the literature revealed that the term psychological distress was used often with regard to distress in patients with cancer, but the concept of cancer-related psychological distress was not clearly defined. Four attributes encompass the concept of cancer-related psychological distress.

Development of Micro Air Vehicle Technology With In-Flight Adaptive-Wing Structure

NASA Technical Reports Server (NTRS)

Waszak, Martin R. (Technical Monitor); Shkarayev, Sergey; Null, William; Wagner, Matthew

2004-01-01

This is a final report on the research studies, "Development of Micro Air Vehicle Technology with In-Flight Adaptrive-Wing Structure". This project involved the development of variable-camber technology to achieve efficient design of micro air vehicles. Specifically, it focused on the following topics: 1) Low Reynolds number wind tunnel testing of cambered-plate wings. 2) Theoretical performance analysis of micro air vehicles. 3) Design of a variable-camber MAV actuated by micro servos. 4) Test flights of a variable-camber MAV.

North Carolina’s Response to the Directorate of Health Care Studies and Clinical Investigation’s Final Report: Assessing Power Analysis Approaches for the Fort Bragg Evaluation Project

DTIC Science & Technology

1993-08-31

American Society of Criminology, Denver , Colorado , November, 1983. (50) ’Unemployment and Crime Rates in Post-World War 11 United States: A Theoretical and... Denver , Colorado , August 20-September 2, 1971 (2) "Social Indicator Models," American Sociological Association Annual Meeting, San Francisco...Association, Denver , Colorado , August, 1971. (10) ’Social Indicator Models: An Overview." Paper presented at the annual meetings of the American

Study of the acceleration, focussing and bunching of ions by electronic space charge for pellet fusion. Technical progress report

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

Verdeyen, J.T.; Cherrington, B.E.

1977-01-01

Three areas of work during this contract period are discussed: (1) a low energy (1 to 10 keV) experiment to demonstrate focusing and to clarify the physics of bunching, (2) an experiment at high energy (100 to 500 keV) to scale prior results, and (3) a theoretical effort to formulate a self-consistent transient analysis of the virtual cathode--plasma interaction. Some results of this work are discussed. (MOW)

Theoretical and Numerical Analysis for Non-Linear Interface Problems

DTIC Science & Technology

2007-04-19

Report 17 . LIMITATION OF ABSTRACT SAR 15. NUMBER OF PAGES 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 5c. PROGRAM ELEMENT NUMBER 5b...8217$94ZY.4,;X/,)@4P*<I $𔃽AC+4)@4&@C+&[CE*]\\_^ \\_`<ab#^c5J$’&+&+$’*.3%&d4&@(-421$e/’>f$𔃽gC+"% 4Ph =42097%&R*,I/,B8CE*.5J/<CE$𔃻 Ci/,)@:.42C )@41

A Hydrodynamic Model of Transport in the Wheat Ear

NASA Technical Reports Server (NTRS)

Stieber, Joseph; Stieber, Joli; Bubenheim, David L.; Kliss, Mark (Technical Monitor)

1996-01-01

The vascular arrangement in the main axis (rachis) of the wheat ear, studied and reported in a previous paper by the same, described a circuit-cascade system consisting of capacitance and resistance passages (so-called RC-circuits). Some hydromechanic aspects (e.g., resonance, impulse control) of this asymmetric transport system and their possible role and importance in the fluid supply are discussed. A theoretical analysis of how this system works, as well as samples of practical application are presented.

Group-theoretical analysis of two-dimensional hexagonal materials

NASA Astrophysics Data System (ADS)

Minami, Susumu; Sugita, Itaru; Tomita, Ryosuke; Oshima, Hiroyuki; Saito, Mineo

2017-10-01

Two-dimensional hexagonal materials such as graphene and silicene have highly symmetric crystal structures and Dirac cones at the K point, which induce novel electronic properties. In this report, we calculate their electronic structures by using density functional theory and analyze their band structures on the basis of the group theory. Dirac cones frequently appear when the symmetry at the K point is high; thus, two-dimensional irreducible representations are included. We discuss the relationship between symmetry and the appearance of the Dirac cone.

Integrative studies of thermoregulation in ectothermic vertebrates in aquatic habitats. Annual progress report, 1 October 1981-31 December 1982

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

Spotila, J.R.; Standora, E.A.

1982-08-01

Field experiments are underway to determine the behavioral mechanisms by which largemouth bass, Micropterus salmoides, respond to rapid temperature changes in their natural environment. Site specificity of largemouth bass in Pond C has been determined. Laboratory experiments are clarifying the relationship between basking behavior of the turtle, Pseudemys scripta and its nutritional state. Theoretical analysis and mathematical modeling continue and have been used to define the role of body size in the thermoregulation of turtles.

Five ways of being "theoretical": applications to provider-patient communication research.

PubMed

Hall, Judith A; Schmid Mast, Marianne

2009-03-01

Analyzes the term "theoretical" as it applies to the area of provider-patient communication research, in order to understand better at a conceptual level what the term may mean for authors and critics. Based on literature on provider-patient communication. Offers, and discusses, five definitions of the term "theoretical" as it applies to empirical research and its exposition: (1) grounding, (2) referencing, (3) design and analysis, (4) interpretation, and (5) impact. Each of these definitions embodies a different standard for evaluating the theoretical aspects of research. Although it is often said that research on provider-patient communication is not "theoretical" enough, the term is ambiguous and often applied vaguely. A multidimensional analysis reveals that there are several distinct ways in which empirical research can be strong or weak theoretically. Researchers, educators, editors, and reviewers could use the "Five Ways" framework to appraise the theory-relevant strengths and weaknesses of empirical research and its exposition.

Studies of elasticity, sound propagation and attenuation of acoustic modes in granular media: final report

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

Makse, Hernan A.; Johnson, David L.

2014-09-03

This is the final report describing the results of DOE Grant # DE-FG02-03ER15458 with original termination date of April 31, 2013, which has been extended to April 31, 2014. The goal of this project is to develop a theoretical and experimental understanding of sound propagation, elasticity and dissipation in granular materials. The topic is relevant for the efficient production of hydrocarbon and for identifying and characterizing the underground formation for storage of either CO 2 or nuclear waste material. Furthermore, understanding the basic properties of acoustic propagation in granular media is of importance not only to the energy industry, butmore » also to the pharmaceutical, chemical and agricultural industries. We employ a set of experimental, theoretical and computational tools to develop a study of acoustics and dissipation in granular media. These include the concept effective mass of granular media, normal modes analysis, statistical mechanics frameworks and numerical simulations based on Discrete Element Methods. Effective mass measurements allow us to study the mechanisms of the elastic response and attenuation of acoustic modes in granular media. We perform experiments and simulations under varying conditions, including humidity and vacuum, and different interparticle force-laws to develop a fundamental understanding of the mechanisms of damping and acoustic propagation in granular media. A theoretical statistical approach studies the necessary phase space of configurations in pressure, volume fraction to classify granular materials.« less

From monopoly to markets: Milestones along the road. Occasional paper {number_sign}25

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

Olson, W.P.

1998-08-01

This report analyzes developments in the electric utility industry using the tools of transaction cost economics. During the last thirty years, the tools of economic analysis have been substantially expanded--notably, Oliver Williamson, building on the insights of Coase and others, has made significant contributions through his work in developing the new institutional economics, of which transaction cost economics reasoning plays a major role. Because of the relevance of the new institutional economics to public utilities and public utility regulation, the theoretical insights of the new institutional economics have been applied to many aspects of public utility industry structure, governance, andmore » regulation. The contributions of Joskow and Schmalensee are most notable, but many other economists have made theoretical and empirical contributions. These insights are very applicable to the issues that policymakers and regulators are likely to address as electric restructuring progresses. The goal of this report is to synthesize the theoretical work on the new institutional economics with the recent developments in the electric utility industry--most notably, the rapid trend toward competition in electric generation, both in the US and abroad. Transaction-cost-economics reasoning provides an analytical structure for understanding the implications of asset specificity, asymmetric and imperfect information, reputation effects, ex ante contracting costs, ex post contract maladaption issues, and issues that arise because contracts are incomplete. The insights that transaction cost economics can provide are very timely to the debates currently going on with respect to electric restructuring issues.« less

Social theory and current affairs: a framework for intellectual engagement.

PubMed

Stones, Rob

2014-06-01

The paper aims to facilitate more adequate critical engagement with current affairs events by journalists, and with current affairs texts by audiences. It draws on social theory to provide the intellectual resources to enable this. The academic ambition is for the framework to be adopted and developed by social thinkers in producing exemplary critical readings of news and current affairs texts. To this end it is offered as a research paradigm. The paper situates its argument in relation to the wider literature in media and cultural studies, acknowledging the subtle skills required to appreciate the relative autonomy of texts. However, it draws attention to the lack of an adequate perspective with which to assess the frames, representations, and judgments within news and current affairs texts. To address this lacuna it proposes the conception of a social-theoretical frame, based on a number of meta-theoretical approaches, designed to provide audiences with a systematic means of addressing the status and adequacy of individual texts. Social theoretical frames can reveal the shortcomings of media framing of the contextual fields within which news and current affairs events take place. Two illustrative case studies are used to indicate the value and potential of the approach: the analysis of a short newspaper report of the return of protesters to Cairo's Tahrir Square in 2011, and a critique of four current affairs reports from various genres on the political turmoil in Thailand leading up to the clashes of May 2010. © London School of Economics and Political Science 2014.

Developing a theoretical framework to illustrate associations among patient satisfaction, body image and quality of life for women undergoing breast reconstruction.

PubMed

Fingeret, Michelle Cororve; Nipomnick, Summer W; Crosby, Melissa A; Reece, Gregory P

2013-10-01

Within the field of breast reconstruction there is increasing focus on patient-reported outcomes related to satisfaction, body image, and quality of life. These outcomes are deemed highly relevant because the primary goal of breast reconstruction is to recreate the appearance of a breast (or breasts) that is satisfying to the patient. Prominent researchers have suggested the need to develop improved standards for outcome evaluation which can ultimately benefit patients as well as physicians. The purpose of this article is to summarize key findings in the area of patient-reported outcomes for breast reconstruction and introduce a theoretical framework for advancing research in this field. We conducted an extensive literature review of outcome studies for breast reconstruction focusing on patient-reported results. We developed a theoretical framework illustrating core patient-reported outcomes related to breast reconstruction and factors associated with these outcomes. Our theoretical model highlights domains and distinguishing features of patient satisfaction, body image, and quality of life outcomes for women undergoing breast reconstruction. This model further identifies a broad range of variables (e.g., historical/premorbid influences, disease and treatment-related factors) that have been found to influence patient-reported outcomes and need to be taken into consideration when designing future research in this area. Additional attention is given to examining the relationship between patient reported outcomes and outside evaluation of breast reconstruction. Our proposed theoretical framework suggests key opportunities to expand research in this area with the goal of optimizing body image adjustment, satisfaction, and psychosocial outcomes for the individual patient. Copyright © 2013 Elsevier Ltd. All rights reserved.

Philosophical Foundations for Curriculum Decision: A Reflective Analysis

ERIC Educational Resources Information Center

Belbase, Shashidhar

2011-01-01

This paper discusses the author's curriculum experiences under different philosophical, epistemological and theoretical backdrops. The analysis of different perspectives bridges epistemological and philosophical/theoretical lenses to my understanding of curriculum and different curricular decisions. This praxeological experience as a student and…

Penetration with Long Rods: A Theoretical Framework and Comparison with Instrumented Impacts

DTIC Science & Technology

1981-05-01

program to begin probing the details of the interaction process. The theoretical framework underlying such a program is explained in detail. The theory of...of the time sequence of events during penetration. Data from one series of experiments, reported in detail elsewhere, is presented and discussed within the theoretical framework .

Theoretical survey on positronium formation and ionisation in positron atom scattering

NASA Technical Reports Server (NTRS)

Basu, Madhumita; Ghosh, A. S.

1990-01-01

The recent theoretical studies are surveyed and reported on the formation of exotic atoms in positron-hydrogen, positron-helium and positron-lithium scattering specially at intermediate energy region. The ionizations of these targets by positron impact was also considered. Theoretical predictions for both the processes are compared with existing measured values.

A Game-Theoretic Measure of Presence for Assessing Aircraft Carrier Options.

DTIC Science & Technology

1982-10-01

AD-A121 599 A GAME -THEORETIC MEASURE 0F PRESENCE FOR ASSESSIN NO ANALYSES ALEXANDRIA VA PROGRAM ANALYR PRE P S IE O ESE UNCLASSIFED JH GPOTTE ET...1. REPORT MNUM 1 L GOVT ACCESRIM IM. REINT5 CPAALOG NUOGG 14. TITLE Cid ubMsj S. TYPE OF REPORT & PERIOD COVERED A Game -Theoretic Measure of...NOTES C Is. KEY wOrS (0mM. 0a No" f .a..eaup meM RSEI’ p eek ... l6t Game theory, Zero-sum games , Col Blotto games , aircraft carriers, alternative

Les Houches 2017: Physics at TeV Colliders Standard Model Working Group Report

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

Andersen, J.R.; et al.

This Report summarizes the proceedings of the 2017 Les Houches workshop on Physics at TeV Colliders. Session 1 dealt with (I) new developments relevant for high precision Standard Model calculations, (II) theoretical uncertainties and dataset dependence of parton distribution functions, (III) new developments in jet substructure techniques, (IV) issues in the theoretical description of the production of Standard Model Higgs bosons and how to relate experimental measurements, (V) phenomenological studies essential for comparing LHC data from Run II with theoretical predictions and projections for future measurements, and (VI) new developments in Monte Carlo event generators.

The role of risk-based prioritization in total quality management

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

Bennett, C.T.

1994-10-01

The climate in which government managers must make decisions grows more complex and uncertain. All stakeholders - the public, industry, and Congress - are demanding greater consciousness, responsibility, and accountability of programs and their budgets. Yet, managerial decisions have become multifaceted, involve greater risk, and operate over much longer time periods. Over the last four or five decades, as policy analysis and decisions became more complex, scientists from psychology, operations research, systems science, and economics have developed a more or less coherent process called decision analysis to aid program management. The process of decision analysis - a systems theoretic approachmore » - provides the backdrop for this paper. The Laboratory Integrated Prioritization System (LIPS) has been developed as a systems analytic and risk-based prioritization tool to aid the management of the Tri-Labs` (Lawrence Livermore, Los Alamos, and Sandia) operating resources. Preliminary analyses of the effects of LIPS has confirmed the practical benefits of decision and systems sciences - the systematic, quantitative reduction in uncertainty. To date, the use of LIPS - and, hence, its value - has been restricted to resource allocation within the Tri-Labs` operations budgets. This report extends the role of risk-based prioritization to the support of DOE Total Quality Management (TQM) programs. Furthermore, this paper will argue for the requirement to institutionalize an evolutionary, decision theoretic approach to the policy analysis of the Department of Energy`s Program Budget.« less

Synthesis, spectroscopic analysis and theoretical study of new pyrrole-isoxazoline derivatives

NASA Astrophysics Data System (ADS)

Rawat, Poonam; Singh, R. N.; Baboo, Vikas; Niranjan, Priydarshni; Rani, Himanshu; Saxena, Rajat; Ahmad, Sartaj

2017-02-01

In the present work, we have efficiently synthesized the pyrrole-isoxazoline derivatives (4a-d) by cyclization of substituted 4-chalconylpyrrole (3a-d) with hydroxylamine hydrochloride. The reactivity of substituted 4-chalconylpyrrole (3a-d), towards nucleophiles hydroxylamine hydrochloride was evaluated on the basis of electrophilic reactivity descriptors (fk+, sk+, ωk+) and they were found to be high at unsaturated β carbon of chalconylpyrrole indicating its more proneness to nucleophilic attack and thereby favoring the formation of reported new pyrrole-isoxazoline compounds (4a-d). The structures of newly synthesized pyrrole-isoxazoline derivatives were derived from IR, 1H NMR, Mass, UV-Vis and elemental analysis. All experimental spectral data corroborate well with the calculated spectral data. The FT-IR analysis shows red shifts in vN-H and vC = O stretching due to dimer formation through intermolecular hydrogen bonding. On basis set superposition error correction, the intermolecular interaction energy for (4a-d) is found to be 10.10, 9.99, 10.18, 11.01 and 11.19 kcal/mol respectively. The calculated first hyperpolarizability (β0) values of (4a-d) molecules are in the range of 7.40-9.05 × 10-30 esu indicating their suitability for non-linear optical (NLO) applications. Experimental spectral results, theoretical data, analysis of chalcone intermediates and pyrrole-isoxazolines find usefulness in advancement of pyrrole-azole chemistry.

Tube Bulge Process : Theoretical Analysis and Finite Element Simulations

NASA Astrophysics Data System (ADS)

Velasco, Raphael; Boudeau, Nathalie

2007-05-01

This paper is focused on the determination of mechanics characteristics for tubular materials, using tube bulge process. A comparative study is made between two different models: theoretical model and finite element analysis. The theoretical model is completely developed, based first on a geometrical analysis of the tube profile during bulging, which is assumed to strain in arc of circles. Strain and stress analysis complete the theoretical model, which allows to evaluate tube thickness and state of stress, at any point of the free bulge region. Free bulging of a 304L stainless steel is simulated using Ls-Dyna 970. To validate FE simulations approach, a comparison between theoretical and finite elements models is led on several parameters such as: thickness variation at the free bulge region pole with bulge height, tube thickness variation with z axial coordinate, and von Mises stress variation with plastic strain. Finally, the influence of geometrical parameters deviations on flow stress curve is observed using analytical model: deviations of the tube outer diameter, its initial thickness and the bulge height measurement are taken into account to obtain a resulting error on plastic strain and von Mises stress.

Theoretical Studies of Microstrip Antennas : Volume II, Analysis and Synthesis of Multi-Frequency Elements

DOT National Transportation Integrated Search

1979-09-01

Volume II of Theoretical Studies of Microstrip Antennas deals with the analysis and synthesis of several types of novel multi-resonant elements with emphasis on dual-frequency operation of rectangular microstrip patch antennas with or without externa...

A meta-analysis of serious digital games for healthy lifestyle promotion.

PubMed

DeSmet, Ann; Van Ryckeghem, Dimitri; Compernolle, Sofie; Baranowski, Tom; Thompson, Debbe; Crombez, Geert; Poels, Karolien; Van Lippevelde, Wendy; Bastiaensens, Sara; Van Cleemput, Katrien; Vandebosch, Heidi; De Bourdeaudhuij, Ilse

2014-12-01

Several systematic reviews have described health-promoting effects of serious games but so far no meta-analysis has been reported. This paper presents a meta-analysis of 54 serious digital game studies for healthy lifestyle promotion, in which we investigated the overall effectiveness of serious digital games on healthy lifestyle promotion outcomes and the role of theoretically and clinically important moderators. Findings showed that serious games have small positive effects on healthy lifestyles (g=0.260, 95% CI 0.148; 0.373) and their determinants (g=0.334, 95% CI 0.260; 0.407), especially for knowledge. Effects on clinical outcomes were significant, but much smaller (g=0.079, 95% CI 0.038; 0.120). Long-term effects were maintained for all outcomes except for behavior. Serious games are best individually tailored to both socio-demographic and change need information, and benefit from a strong focus on game theories or a dual theoretical foundation in both behavioral prediction and game theories. They can be effective either as a stand-alone or multi-component programs, and appeal to populations regardless of age and gender. Given that effects of games remain heterogeneous, further explorations of which game features create larger effects are needed. Copyright © 2014 Elsevier Inc. All rights reserved.

Wettability of graphitic-carbon and silicon surfaces: MD modeling and theoretical analysis

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

Ramos-Alvarado, Bladimir; Kumar, Satish; Peterson, G. P.

2015-07-28

The wettability of graphitic carbon and silicon surfaces was numerically and theoretically investigated. A multi-response method has been developed for the analysis of conventional molecular dynamics (MD) simulations of droplets wettability. The contact angle and indicators of the quality of the computations are tracked as a function of the data sets analyzed over time. This method of analysis allows accurate calculations of the contact angle obtained from the MD simulations. Analytical models were also developed for the calculation of the work of adhesion using the mean-field theory, accounting for the interfacial entropy changes. A calibration method is proposed to providemore » better predictions of the respective contact angles under different solid-liquid interaction potentials. Estimations of the binding energy between a water monomer and graphite match those previously reported. In addition, a breakdown in the relationship between the binding energy and the contact angle was observed. The macroscopic contact angles obtained from the MD simulations were found to match those predicted by the mean-field model for graphite under different wettability conditions, as well as the contact angles of Si(100) and Si(111) surfaces. Finally, an assessment of the effect of the Lennard-Jones cutoff radius was conducted to provide guidelines for future comparisons between numerical simulations and analytical models of wettability.« less

Implications of "Too Good to Be True" for Replication, Theoretical Claims, and Experimental Design: An Example Using Prominent Studies of Racial Bias.

PubMed

Francis, Gregory

2016-01-01

In response to concerns about the validity of empirical findings in psychology, some scientists use replication studies as a way to validate good science and to identify poor science. Such efforts are resource intensive and are sometimes controversial (with accusations of researcher incompetence) when a replication fails to show a previous result. An alternative approach is to examine the statistical properties of the reported literature to identify some cases of poor science. This review discusses some details of this process for prominent findings about racial bias, where a set of studies seems "too good to be true." This kind of analysis is based on the original studies, so it avoids criticism from the original authors about the validity of replication studies. The analysis is also much easier to perform than a new empirical study. A variation of the analysis can also be used to explore whether it makes sense to run a replication study. As demonstrated here, there are situations where the existing data suggest that a direct replication of a set of studies is not worth the effort. Such a conclusion should motivate scientists to generate alternative experimental designs that better test theoretical ideas.

Implications of “Too Good to Be True” for Replication, Theoretical Claims, and Experimental Design: An Example Using Prominent Studies of Racial Bias

PubMed Central

Francis, Gregory

2016-01-01

In response to concerns about the validity of empirical findings in psychology, some scientists use replication studies as a way to validate good science and to identify poor science. Such efforts are resource intensive and are sometimes controversial (with accusations of researcher incompetence) when a replication fails to show a previous result. An alternative approach is to examine the statistical properties of the reported literature to identify some cases of poor science. This review discusses some details of this process for prominent findings about racial bias, where a set of studies seems “too good to be true.” This kind of analysis is based on the original studies, so it avoids criticism from the original authors about the validity of replication studies. The analysis is also much easier to perform than a new empirical study. A variation of the analysis can also be used to explore whether it makes sense to run a replication study. As demonstrated here, there are situations where the existing data suggest that a direct replication of a set of studies is not worth the effort. Such a conclusion should motivate scientists to generate alternative experimental designs that better test theoretical ideas. PMID:27713708

Vibrational, UV spectra, NBO, first order hyperpolarizability and HOMO-LUMO analysis of carvedilol

NASA Astrophysics Data System (ADS)

Swarnalatha, N.; Gunasekaran, S.; Nagarajan, M.; Srinivasan, S.; Sankari, G.; Ramkumaar, G. R.

2015-02-01

In this work, we have investigated experimentally and theoretically on the molecular structure, vibrational spectra, UV spectral analysis and NBO studies of cardio-protective drug carvedilol. The FT-Raman and FT-IR spectra for carvedilol in the solid phase have been recorded in the region 4000-100 cm-1 and 4000-400 cm-1 respectively. Theoretical calculations were performed by using density functional theory (DFT) method at B3LYP/6-31G(d,p) and B3LYP/6-31++G(d,p) basis set levels. The harmonic vibrational frequencies, the optimized geometric parameters have been interpreted and compared with the reported experimental values. The complete vibrational assignments were performed on the basis of potential energy distribution (PED) of the vibrational modes. The thermodynamic properties and molecular electrostatic potential surfaces of the molecule were constructed. The electronic absorption spectrum was recorded in the region 400-200 nm and electronic properties such as HOMO and LUMO energies were calculated. The stability of the molecule arising from hyper conjugative interactions and charge delocalization have been analyzed from natural bond orbital (NBO) analysis. The first order hyperpolarizability of the title molecule was also calculated. The photo stability of carvedilol under different storage conditions were analyzed using UV-Vis spectral technique.

Metals and Ceramics Division annual progress report, October 1, 1978-June 30, 1979

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

Peterson, S.

Research is reported concerning: (1) engineering materials including materials compatibility, mechanical properties, nondestructive testing, pressure vessel technology, and welding and brazing; (2) fuels and processes consisting of ceramic technology, fuel cycle technology, fuels evaluation, fuels fabrication and metals processing; and (3) materials science which includes, ceramic studies, physical metallurgy and properties, radiation effects and microstructural analysis, metastable and superconducting materials, structure and properties of surfaces, theoretical research, and x-ray research and applications. Highlights of the work of the metallographic group and the current status of the High-Temperature Materials Laboratory (HTML) and the Materials and Structures Technology Management Center (MSTMC) aremore » presented. (FS)« less

Cell-to-cell signaling through light: just a ghost of chance?

PubMed Central

2013-01-01

Despite the large number of reports attributing the signaling between detached cell cultures to the electromagnetic phenomena, almost no report so far included a rigorous analysis of the possibility of such signaling. In this paper, we examine the physical feasibility of the electromagnetic communication between cells, especially through light, with regard to the ambient noise illumination. We compare theoretically attainable parameters of communication with experimentally obtained data of the photon emission from cells without a specially pronounced ability of bioluminescence. We show that the weak intensity of the emission together with an unfavorable signal-to-noise ratio, which is typical for natural conditions, represent an important obstacle to the signal detection by cells. PMID:24219796

Widely tunable optical parametric oscillation in a Kerr microresonator.

PubMed

Sayson, Noel Lito B; Webb, Karen E; Coen, Stéphane; Erkintalo, Miro; Murdoch, Stuart G

2017-12-15

We report on the first experimental demonstration of widely tunable parametric sideband generation in a Kerr microresonator. Specifically, by pumping a silica microsphere in the normal dispersion regime, we achieve the generation of phase-matched four-wave mixing sidebands at large frequency detunings from the pump. Thanks to the role of higher-order dispersion in enabling phase matching, small variations of the pump wavelength translate into very large and controllable changes in the wavelengths of the generated sidebands: we experimentally demonstrate over 720 nm of tunability using a low-power continuous-wave pump laser in the C-band. We also derive simple theoretical predictions for the phase-matched sideband frequencies and discuss the predictions in light of the discrete cavity resonance frequencies. Our experimentally measured sideband wavelengths are in very good agreement with theoretical predictions obtained from our simple phase-matching analysis.

Channel effect of the modified powdery mixture of ammonium nitrate and fuel oil

NASA Astrophysics Data System (ADS)

Wu, Chun-Ping; Liu, Lian-Sheng; Wang, Xu-Guang; Liu, Yong; Wang, Yin-Jun

2010-10-01

The modified powdery mixture of ammonium nitrate and fuel oil (MPANFO) is a new breed of industrial explosives developed years ago in China. As one of the important properties of an industrial explosive, the channel effect of MPANFO was reported in this paper. A series of experiments were conducted to determine the channel effect of MPANFO. The blasthole diameter range was estimated to avoid the channel effect of MPANFO. Three empirical formulae for predicting the detonation length of MPANFO were provided in terms of the channel effect. Experiments and theoretical analysis indicate that the channel effect of MPANFO is very serious. The reason why the channel effect of MPANFO is worse than that of other industrial explosives is explained at a theoretical level. In addition, some properties of MPANFO, such as sympathetic distance, detonation velocity and brisance, are determined.

Soft X-Ray Second Harmonic Generation as an Interfacial Probe

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

Lam, R. K.; Raj, S. L.; Pascal, T. A.

Nonlinear optical processes at soft x-ray wavelengths have remained largely unexplored due to the lack of available light sources with the requisite intensity and coherence. Here we report the observation of soft x-ray second harmonic generation near the carbon K edge (~284 eV) in graphite thin films generated by high intensity, coherent soft x-ray pulses at the FERMI free electron laser. Our experimental results and accompanying first-principles theoretical analysis highlight the effect of resonant enhancement above the carbon K edge and show the technique to be interfacially sensitive in a centrosymmetric sample with second harmonic intensity arising primarily from themore » first atomic layer at the open surface. This technique and the associated theoretical framework demonstrate the ability to selectively probe interfaces, including those that are buried, with elemental specificity, providing a new tool for a range of scientific problems.« less

Soft X-Ray Second Harmonic Generation as an Interfacial Probe

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

Lam, R. K.; Raj, S. L.; Pascal, T. A.

Nonlinear optical processes at soft x-ray wavelengths have remained largely unexplored due to the lack of available light sources with the requisite intensity and coherence. Here we report the observation of soft x-ray second harmonic generation near the carbon K edge (~284 eV) in graphite thin films generated by high intensity, coherent soft x-ray pulses at the FERMI free electron laser. Our experimental results and accompanying first-principles theoretical analysis highlight the effect of resonant enhancement above the carbon K edge and show the technique to be interfacially sensitive in a centrosymmetric sample with second harmonic intensity arising primarily from themore » first atomic layer at the open surface. Here, this technique and the associated theoretical framework demonstrate the ability to selectively probe interfaces, including those that are buried, with elemental specificity, providing a new tool for a range of scientific problems.« less

Plasmon induced modification of silicon nanocrystals photoluminescence in presence of gold nanostripes

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

Dyakov, S. A.; Zhigunov, D. M.; Marinins, A.

Here, we report on the results of theoretical and experimental studies of photoluminescense of silicon nanocrystals in the proximity to plasmonic modes of different types. In the studied samples, the type of plasmonic mode is determined by the filling ratio of a one-dimensional array of gold stripes which covers the thin film with silicon nanocrystals on a quartz substrate. We analyze the extinction, photoluminesce spectra and decay kinetics of silicon nanocrystals and show that the incident and emitted light is coupled to the corresponding plasmonic mode. We demonstrate the modification of the extinction and photoluminesce spectra under the transition frommore » wide to narrow gold stripes. The experimental extinction and photoluminescense spectra are in good agreement with theoretical calculations performed by the rigorous coupled wave analysis. Finally, we study the contribution of individual silicon nanocrystals to the overall photoluminescense intensity, depending on their spacial position inside the structure.« less

[Developing the Japanese version of the Adult Attachment Style Scale (ECR)].

PubMed

Nakao, Tatsuma; Kato, Kazuo

2004-06-01

This study attempted to adapt into Japanese the Adult Attachment Style Scale (ECR: Experiences in Close Relationships inventory) that was constructed by Brennan, Clark, and Shaver (1998), based on 14 existing scales. Of 387 respondents, 231 who reported having been or are currently involved in romantic relationships were employed for final analysis. We examined validities of the Japanese version of ECR in the two ways: (1) Examining the correlations between "Anxiety" and Self-esteem scale by Rosenberg (1965) which were theoretically related to Self-view, and the correlations between "Avoidance" and Other-view scale by Kato (1999b) which were theoretically related to Other-view; (2) whether or not ECR represents the features of four attachment styles as classified by Relationship Questionnaire (RQ; Bartholomew & Horowitz, 1991). The results supported our expectations. This Japanese version of ECR was demonstrated to have adequate psychometric properties in validity and reliability.

Experimental and theoretical studies on the structure and spectroscopic properties of (E)-1-(2-aminophenyl)-3-(pyridine-4-yl) prop-2-en-1-one

NASA Astrophysics Data System (ADS)

Cruz Ortiz, Andrés Felipe; Sánchez López, Alberto; García Ríos, Alejandro; Cuenú Cabezas, Fernando; Rozo Correa, Ciro Eduardo

2015-10-01

(E)-1-(2-aminophenyl)-3-(pyridine-4-yl)prop-2-en-1-one (or simply 2-aminochalcone) was synthetized and characterized by elemental analysis, FT-IR, NMR, MS and XRD. Molecular geometry optimization, vibrational harmonic frequencies, 1H and 13C NMR chemical shifts were calculated by ab initio (HF and MP2) and density functional theory (DFT) methods, with B3LYP and B3PW91 functionals, using GAUSSIAN 09 program package without any constraint on the geometry. With VEDA software vibrational frequencies were assigned in terms of the potential energy distribution. A detailed interpretation of the FT-IR, NMR and XRD, experimental and calculated, is reported. The HOMO and LUMO energy gap that reflects the chemical activity of the molecule were also studied by DFT and above basis set. All theoretical results correspond to a great extent to experimental ones.

Plasmon induced modification of silicon nanocrystals photoluminescence in presence of gold nanostripes

DOE PAGES

Dyakov, S. A.; Zhigunov, D. M.; Marinins, A.; ...

2018-03-20

Here, we report on the results of theoretical and experimental studies of photoluminescense of silicon nanocrystals in the proximity to plasmonic modes of different types. In the studied samples, the type of plasmonic mode is determined by the filling ratio of a one-dimensional array of gold stripes which covers the thin film with silicon nanocrystals on a quartz substrate. We analyze the extinction, photoluminesce spectra and decay kinetics of silicon nanocrystals and show that the incident and emitted light is coupled to the corresponding plasmonic mode. We demonstrate the modification of the extinction and photoluminesce spectra under the transition frommore » wide to narrow gold stripes. The experimental extinction and photoluminescense spectra are in good agreement with theoretical calculations performed by the rigorous coupled wave analysis. Finally, we study the contribution of individual silicon nanocrystals to the overall photoluminescense intensity, depending on their spacial position inside the structure.« less

Soft X-Ray Second Harmonic Generation as an Interfacial Probe

DOE PAGES

Lam, R. K.; Raj, S. L.; Pascal, T. A.; ...

2018-01-08

Nonlinear optical processes at soft x-ray wavelengths have remained largely unexplored due to the lack of available light sources with the requisite intensity and coherence. Here we report the observation of soft x-ray second harmonic generation near the carbon K edge (~284 eV) in graphite thin films generated by high intensity, coherent soft x-ray pulses at the FERMI free electron laser. Our experimental results and accompanying first-principles theoretical analysis highlight the effect of resonant enhancement above the carbon K edge and show the technique to be interfacially sensitive in a centrosymmetric sample with second harmonic intensity arising primarily from themore » first atomic layer at the open surface. Here, this technique and the associated theoretical framework demonstrate the ability to selectively probe interfaces, including those that are buried, with elemental specificity, providing a new tool for a range of scientific problems.« less

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.

Microfluidic quadrupole and floating concentration gradient.

PubMed

Qasaimeh, Mohammad A; Gervais, Thomas; Juncker, David

2011-09-06

The concept of fluidic multipoles, in analogy to electrostatics, has long been known as a particular class of solutions of the Navier-Stokes equation in potential flows; however, experimental observations of fluidic multipoles and of their characteristics have not been reported yet. Here we present a two-dimensional microfluidic quadrupole and a theoretical analysis consistent with the experimental observations. The microfluidic quadrupole was formed by simultaneously injecting and aspirating fluids from two pairs of opposing apertures in a narrow gap formed between a microfluidic probe and a substrate. A stagnation point was formed at the centre of the microfluidic quadrupole, and its position could be rapidly adjusted hydrodynamically. Following the injection of a solute through one of the poles, a stationary, tunable, and movable-that is, 'floating'-concentration gradient was formed at the stagnation point. Our results lay the foundation for future combined experimental and theoretical exploration of microfluidic planar multipoles including convective-diffusive phenomena.

Soft X-Ray Second Harmonic Generation as an Interfacial Probe

NASA Astrophysics Data System (ADS)

Lam, R. K.; Raj, S. L.; Pascal, T. A.; Pemmaraju, C. D.; Foglia, L.; Simoncig, A.; Fabris, N.; Miotti, P.; Hull, C. J.; Rizzuto, A. M.; Smith, J. W.; Mincigrucci, R.; Masciovecchio, C.; Gessini, A.; Allaria, E.; De Ninno, G.; Diviacco, B.; Roussel, E.; Spampinati, S.; Penco, G.; Di Mitri, S.; Trovò, M.; Danailov, M.; Christensen, S. T.; Sokaras, D.; Weng, T.-C.; Coreno, M.; Poletto, L.; Drisdell, W. S.; Prendergast, D.; Giannessi, L.; Principi, E.; Nordlund, D.; Saykally, R. J.; Schwartz, C. P.

2018-01-01

Nonlinear optical processes at soft x-ray wavelengths have remained largely unexplored due to the lack of available light sources with the requisite intensity and coherence. Here we report the observation of soft x-ray second harmonic generation near the carbon K edge (˜284 eV ) in graphite thin films generated by high intensity, coherent soft x-ray pulses at the FERMI free electron laser. Our experimental results and accompanying first-principles theoretical analysis highlight the effect of resonant enhancement above the carbon K edge and show the technique to be interfacially sensitive in a centrosymmetric sample with second harmonic intensity arising primarily from the first atomic layer at the open surface. This technique and the associated theoretical framework demonstrate the ability to selectively probe interfaces, including those that are buried, with elemental specificity, providing a new tool for a range of scientific problems.

Generalized non-Local Resistance Expression and its Application in F/N/F Spintronic Structure with Graphene Channel

NASA Astrophysics Data System (ADS)

Wei, Huazhou; Fu, Shiwei

We report our work on the spin transport properties in the F/N/F(ferromagnets/normal metal/ferromagnets) spintronic structure from a new theoretical perspective. A significant problem in the field is to explain the inferior measured order of magnitude for spin lifetime. Based on the known non-local resistance formula and the mechanism analysis of spin-flipping within the interfaces between F and N, we analytically derive a broadly applicable new non-local resistance expression and a generalized Hanle curve formula. After employing them in the F/N/F structure under different limits, especially in the case of graphene channel, we find that the fitting from experimental data would yield a longer spin lifetime, which approaches its theoretical predicted value in graphene. The authors acknowledge the financial support by China University of Petroleum-Beijing and the Key Laboratory of Optical Detection Technology for Oil and Gas in this institution.

Structural, vibrational and nuclear magnetic resonance investigations of 4-bromoisoquinoline by experimental and theoretical DFT methods.

PubMed

Arjunan, V; Thillai Govindaraja, S; Jayapraksh, A; Mohan, S

2013-04-15

Quantum chemical calculations of energy, structural parameters and vibrational wavenumbers of 4-bromoisoquinoline (4BIQ) were carried out by using B3LYP method using 6-311++G(**), cc-pVTZ and LANL2DZ basis sets. The optimised geometrical parameters obtained by DFT calculations are in good agreement with electron diffraction data. Interpretations of the experimental FTIR and FT-Raman spectra have been reported with the aid of the theoretical wavenumbers. The differences between the observed and scaled wavenumber values of most of the fundamentals are very small. The thermodynamic parameters have also been computed. Electronic properties of the molecule were discussed through the molecular electrostatic potential surface, HOMO-LUMO energy gap and NBO analysis. To provide precise assignments of (1)H and (13)CNMR spectra, isotropic shielding and chemical shifts were calculated with the Gauge-Invariant Atomic Orbital (GIAO) method. Copyright © 2013 Elsevier B.V. All rights reserved.

Ab-Initio analysis of TlBr: limiting the ionic current without degrading the electronic one

NASA Astrophysics Data System (ADS)

Rocha Leao, Cedric; Lordi, Vincenzo

2011-03-01

Although TlBr in principle presents all the theoretical requirements for making high resolution room temperature radiation detectors, practical applications of TlBr have proven to be nonviable due to the polarization that is observed in the crystal after relatively short periods of operation. This polarization, that is believed to be caused by accumulation of oppositely charged ionic species at the ends of the crystal, results in an electric field that opposes that of the applied bias, counter-acting its effect. In this work, we use state of the art quantum modeling to benchmark the theoretical limits for the performance of TlBr as a radiation detector, showing that the best experimental reports demonstrate near-ideal electronic characteristics. We then propose a model to inhibit the detrimental ionic current in the material without impacting the excellent properties of the electronic current. Prepared by LLNL under Contract DE-AC52-07NA27344.

Au10(SG)10: A Chiral Gold Catenane Nanocluster with Zero Confined Electrons. Optical Properties and First-Principles Theoretical Analysis.

PubMed

Bertorelle, Franck; Russier-Antoine, Isabelle; Calin, Nathalie; Comby-Zerbino, Clothilde; Bensalah-Ledoux, Amina; Guy, Stephan; Dugourd, Philippe; Brevet, Pierre-François; Sanader, Željka; Krstić, Marjan; Bonačić-Koutecký, Vlasta; Antoine, Rodolphe

2017-05-04

We report facile synthesis of the Au 10 (SG) 10 nanoclusters, where SG stands for glutathione, found to be promising as a new class of radiosensitizers for cancer radiotherapy. The homoleptic catenane structure with two Au 5 SG 5 interconnected rings, among different isomer structures, gives the best agreement between theoretical and experimental optical spectra and XRD patterns. This catenane structure exhibits a centrosymmetry-broken structure, resulting in enhanced second harmonic response and new characteristic circular dichroism signals in the spectral region of 250-400 nm. This is the first determination of the nonlinear optical properties of a ligated cluster with an equal Au-to-ligand ratio, thus without a metallic core and therefore zero confined electrons. Insight into the nonlinear and chiroptical efficiencies arising from interplay between structural and electronic properties is provided by the TD-DFT approach.

Broadband polygonal invisibility cloak for visible light

PubMed Central

Chen, Hongsheng; Zheng, Bin

2012-01-01

Invisibility cloaks have recently become a topic of considerable interest thanks to the theoretical works of transformation optics and conformal mapping. The design of the cloak involves extreme values of material properties and spatially dependent parameter tensors, which are very difficult to implement. The realization of an isolated invisibility cloak in the visible light, which is an important step towards achieving a fully movable invisibility cloak, has remained elusive. Here, we report the design and experimental demonstration of an isolated polygonal cloak for visible light. The cloak is made of several elements, whose electromagnetic parameters are designed by a linear homogeneous transformation method. Theoretical analysis shows the proposed cloak can be rendered invisible to the rays incident from all the directions. Using natural anisotropic materials, a simplified hexagonal cloak which works for six incident directions is fabricated for experimental demonstration. The performance is validated in a broadband visible spectrum. PMID:22355767

Nursing-sensitive indicators: a concept analysis

PubMed Central

Heslop, Liza; Lu, Sai

2014-01-01

Aim To report a concept analysis of nursing-sensitive indicators within the applied context of the acute care setting. Background The concept of ‘nursing sensitive indicators’ is valuable to elaborate nursing care performance. The conceptual foundation, theoretical role, meaning, use and interpretation of the concept tend to differ. The elusiveness of the concept and the ambiguity of its attributes may have hindered research efforts to advance its application in practice. Design Concept analysis. Data sources Using ‘clinical indicators’ or ‘quality of nursing care’ as subject headings and incorporating keyword combinations of ‘acute care’ and ‘nurs*’, CINAHL and MEDLINE with full text in EBSCOhost databases were searched for English language journal articles published between 2000–2012. Only primary research articles were selected. Methods A hybrid approach was undertaken, incorporating traditional strategies as per Walker and Avant and a conceptual matrix based on Holzemer's Outcomes Model for Health Care Research. Results The analysis revealed two main attributes of nursing-sensitive indicators. Structural attributes related to health service operation included: hours of nursing care per patient day, nurse staffing. Outcome attributes related to patient care included: the prevalence of pressure ulcer, falls and falls with injury, nosocomial selective infection and patient/family satisfaction with nursing care. Conclusion This concept analysis may be used as a basis to advance understandings of the theoretical structures that underpin both research and practical application of quality dimensions of nursing care performance. PMID:25113388

Experimental Confirmation of an Aquatic Swimming Motion Theoretically of Very Low Drag and High Efficiency

DTIC Science & Technology

2016-08-24

08-24-2016 2. REPORT TYPE Final 3. DATES COVERED (From - To) July 2011 - May 2016 4. TITLE AND SUBTITLE Experimental Confirmation of an Aquatic...Unlimited) or SAR (Same as Report). An entry in this block is necessary if the abstract is to be limited. 1 FINAL REPORT Title: Experimental ...expounds on: the robot’s propulsive wake is being investigated in order to determine whether the theoretical hydrodynamics compare to the experimentally

Novel MC/BZY Proton Conductor: Materials Development, Device Evaluation, and Theoretical Exploration using CI and DFT Methods

DTIC Science & Technology

2017-09-05

Report: Novel MC/BZY Proton Conductor: Materials Development, Device Evaluation, and Theoretical Exploration using CI and DFT Methods The views...policy or decision, unless so designated by other documentation. 9. SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS (ES) U.S. Army Research Office P.O...Box 12211 Research Triangle Park, NC 27709-2211 REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT NUMBER(S) 10. SPONSOR/MONITOR’S ACRONYM(S

Structural transformation during Li/Na insertion and theoretical cyclic voltammetry of the δ-NH4V4O10 electrode: a first-principles study.

PubMed

Sarkar, Tanmay; Kumar, Parveen; Bharadwaj, Mridula Dixit; Waghmare, Umesh

2016-04-14

A double layer δ-NH4V4O10, due to its high energy storage capacity and excellent rate capability, is a very promising cathode material for Li-ion and Na-ion batteries for large-scale renewable energy storage in transportation and smart grids. While it possesses better stability, and higher ionic and electronic conductivity than the most widely explored V2O5, the mechanisms of its cyclability are yet to be understood. Here, we present a theoretical cyclic voltammetry as a tool based on first-principles calculations, and uncover structural transformations that occur during Li(+)/Na(+) insertion (x) into (Lix/Nax)NH4V4O10. Structural distortions associated with single-phase and multi-phase structural changes during the insertion of Li(+)/Na(+), identified through the analysis of voltage profile and theoretical cyclic voltammetry are in agreement with the reported experimental electrochemical measurements on δ-NH4V4O10. We obtain an insight into its electronic structure with a lower band gap that is responsible for the high rate capability of (Lix/Nax) δ-NH4V4O10. The scheme of theoretical cyclic voltammetry presented here will be useful for addressing issues of cyclability and energy rate in other electrode materials.

Novel models on fluid's variable thermo-physical properties for extensive study on convection heat and mass transfer

NASA Astrophysics Data System (ADS)

Shang, De-Yi; Zhong, Liang-Cai

2017-01-01

Our novel models for fluid's variable physical properties are improved and reported systematically in this work for enhancement of theoretical and practical value on study of convection heat and mass transfer. It consists of three models, namely (1) temperature parameter model, (2) polynomial model, and (3) weighted-sum model, respectively for treatment of temperature-dependent physical properties of gases, temperature-dependent physical properties of liquids, and concentration- and temperature-dependent physical properties of vapour-gas mixture. Two related components are proposed, and involved in each model for fluid's variable physical properties. They are basic physic property equations and theoretical similarity equations on physical property factors. The former, as the foundation of the latter, is based on the typical experimental data and physical analysis. The latter is built up by similarity analysis and mathematical derivation based on the former basic physical properties equations. These models are available for smooth simulation and treatment of fluid's variable physical properties for assurance of theoretical and practical value of study on convection of heat and mass transfer. Especially, so far, there has been lack of available study on heat and mass transfer of film condensation convection of vapour-gas mixture, and the wrong heat transfer results existed in widespread studies on the related research topics, due to ignorance of proper consideration of the concentration- and temperature-dependent physical properties of vapour-gas mixture. For resolving such difficult issues, the present novel physical property models have their special advantages.

Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole

NASA Astrophysics Data System (ADS)

Menon, Vidya V.; Foto, Egemen; Mary, Y. Sheena; Karatas, Esin; Panicker, C. Yohannan; Yalcin, Gözde; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Yildiz, Ilkay

2017-02-01

FT-IR and FT-Raman spectra of 5-nitro-2-phenoxymethylbenzimidazole were recorded and analyzed theoretically and experimentally. The splitting of Nsbnd H stretching mode in the IR spectrum with a red shift from the calculated value indicates the weakening of the NH bond. The theoretical calculations give the phenyl ring breathing modes at 999 cm-1 for mono substituted benzene ring and at 1040 cm-1 for tri-substituted benzene ring. The theoretical NMR chemical shifts are in agreement with the experimental chemical shifts. The most reactive sites for electrophilic and nucleophilic attack are predicted from the MEP analysis. HOMO of π nature is delocalized over the entire molecule whereas the LUMO is located over the complete molecule except mono-substituted phenyl ring and oxygen atom. Reactive sites of the title molecule have been located with the help of ALIE surfaces and Fukui functions. In order to determine locations prone to autoxidation and locations interesting for starting of degradation, bond dissociation energies have been calculated for all single acyclic bonds. For the determination of atoms with pronounced interactions with water we have calculated radial distribution functions obtained after molecular dynamics simulations. The calculated first hyperpolarizability of the title compound is 58.03 times that of standard nonlinear optical material urea. The substrate binding site interactions of the title compound with Topo II enzyme is reported by using molecular docking study. Biological activity studies show that the title compound can be leaded for developing new anticancer agents.

A computational perspective of vibrational and electronic analysis of potential photosensitizer 2-chlorothioxanthone

NASA Astrophysics Data System (ADS)

Ali, Narmeen; Mansha, Asim; Asim, Sadia; Zahoor, Ameer Fawad; Ghafoor, Sidra; Akbar, Muhammad Usman

2018-03-01

This paper deals with combined theoretical and experimental study of geometric, electronic and vibrational properties of 2-chlorothioxanthone (CTX) molecule which is potential photosensitizer. The FT-IR spectrum of CTX in solid phase was recorded in 4000-400 cm-1 region. The UV-Vis. absorption spectrum was also recorded in the laboratory as well as computed at DFT/B3LYP level in five different phases viz. gas, water, DMSO, acetone and ethanol. The quantum mechanics based theoretical IR and Raman spectra were also calculated for the title compound employing HF and DFT functional with 3-21G+, 6-31G+ and 6-311G+, 6-311G++ basis sets, respectively, and assignment of each vibrational frequency has been done on the basis of potential energy distribution (PED). A comparison has been made between theoretical and experimental vibrational spectra as well as for the UV-Vis. absorption spectra. The computed infra red & Raman spectra by DFT compared with experimental spectra along with reliable vibrational assignment based on PED. The calculated electronic properties, results of natural bonding orbital (NBO) analysis, charge distribution, dipole moment and energies have been reported in the paper. Bimolecular quenching of triplet state of CTX in the presence of triethylamine, 2-propanol triethylamine and diazobicyclooctane (DABCO) reflect the interactions between them. The bimolecular quenching rate constant is fastest for interaction of 3CTX in the presence of DABCO reflecting their stronger interactions.

The use of theory in qualitative approaches to research: application in end-of-life studies.

PubMed

Wu, Hung-Lan; Volker, Deborah L

2009-12-01

This paper is a report of an analysis of the use of theory in qualitative approaches to research as exemplified in qualitative end-of-life studies. Nurses researchers turn to theory to conceptualize research problems and guide investigations. However, researchers using qualitative approaches do not consistently articulate how theory has been applied, and no clear consensus exists regarding the appropriate application of theory in qualitative studies. A review of qualitative, end-of-life studies is used to illustrate application of theory to study design and findings. A review of theoretical literature was carried out, focusing on definitions and use of theory in qualitative end-of-life studies published in English between 1990 and 2008. The term 'theory' continues to be used in a variety of ways by theorists and researchers. Within the reviewed end-of-life studies, the use of theory included theory creation or provision of a comparative framework for data analysis and interpretation. Implications for nursing. Nurses who conduct qualitative studies should examine the philosophical and theoretical bases of their selected methodological approach, articulate a theoretical framework that fits the phenomenon being studied, and adopt a critical, flexible and creative attitude when applying theory to a study. Theory can be put to several uses in qualitative inquiry and should guide nurse researchers as they develop and implement their studies. Nurse educators who teach qualitative approaches to research should emphasize a variety of ways to incorporate theory in qualitative designs.

Theoretical/best practice energy use in metalcasting operations

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

Schifo, J. F.; Radia, J. T.

2004-05-01

This study determined the theoretical minimum energy requirements for melting processes for all ferrous and noferrous engenieering alloys. Also the report details the Best Practice energy consumption for the industry.

Theories of behaviour change synthesised into a set of theoretical groupings: introducing a thematic series on the theoretical domains framework.

PubMed

Francis, Jill J; O'Connor, Denise; Curran, Janet

2012-04-24

Behaviour change is key to increasing the uptake of evidence into healthcare practice. Designing behaviour-change interventions first requires problem analysis, ideally informed by theory. Yet the large number of partly overlapping theories of behaviour makes it difficult to select the most appropriate theory. The need for an overarching theoretical framework of behaviour change was addressed in research in which 128 explanatory constructs from 33 theories of behaviour were identified and grouped. The resulting Theoretical Domains Framework (TDF) appears to be a helpful basis for investigating implementation problems. Research groups in several countries have conducted TDF-based studies. It seems timely to bring together the experience of these teams in a thematic series to demonstrate further applications and to report key developments. This overview article describes the TDF, provides a brief critique of the framework, and introduces this thematic series.In a brief review to assess the extent of TDF-based research, we identified 133 papers that cite the framework. Of these, 17 used the TDF as the basis for empirical studies to explore health professionals' behaviour. The identified papers provide evidence of the impact of the TDF on implementation research. Two major strengths of the framework are its theoretical coverage and its capacity to elicit beliefs that could signify key mediators of behaviour change. The TDF provides a useful conceptual basis for assessing implementation problems, designing interventions to enhance healthcare practice, and understanding behaviour-change processes. We discuss limitations and research challenges and introduce papers in this series.

Theories of behaviour change synthesised into a set of theoretical groupings: introducing a thematic series on the theoretical domains framework

PubMed Central

2012-01-01

Behaviour change is key to increasing the uptake of evidence into healthcare practice. Designing behaviour-change interventions first requires problem analysis, ideally informed by theory. Yet the large number of partly overlapping theories of behaviour makes it difficult to select the most appropriate theory. The need for an overarching theoretical framework of behaviour change was addressed in research in which 128 explanatory constructs from 33 theories of behaviour were identified and grouped. The resulting Theoretical Domains Framework (TDF) appears to be a helpful basis for investigating implementation problems. Research groups in several countries have conducted TDF-based studies. It seems timely to bring together the experience of these teams in a thematic series to demonstrate further applications and to report key developments. This overview article describes the TDF, provides a brief critique of the framework, and introduces this thematic series. In a brief review to assess the extent of TDF-based research, we identified 133 papers that cite the framework. Of these, 17 used the TDF as the basis for empirical studies to explore health professionals’ behaviour. The identified papers provide evidence of the impact of the TDF on implementation research. Two major strengths of the framework are its theoretical coverage and its capacity to elicit beliefs that could signify key mediators of behaviour change. The TDF provides a useful conceptual basis for assessing implementation problems, designing interventions to enhance healthcare practice, and understanding behaviour-change processes. We discuss limitations and research challenges and introduce papers in this series. PMID:22531601

Final Report. Research in Theoretical High Energy Physics

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

Greensite, Jeffrey P.; Golterman, Maarten F.L.

Grant-supported research in theoretical high-energy physics, conducted in the period 1992-2015 is briefly described, and a full listing of published articles result from those research activities is supplied.

Coupled rotor/airframe vibration analysis

NASA Technical Reports Server (NTRS)

Sopher, R.; Studwell, R. E.; Cassarino, S.; Kottapalli, S. B. R.

1982-01-01

A coupled rotor/airframe vibration analysis developed as a design tool for predicting helicopter vibrations and a research tool to quantify the effects of structural properties, aerodynamic interactions, and vibration reduction devices on vehicle vibration levels is described. The analysis consists of a base program utilizing an impedance matching technique to represent the coupled rotor/airframe dynamics of the system supported by inputs from several external programs supplying sophisticated rotor and airframe aerodynamic and structural dynamic representation. The theoretical background, computer program capabilities and limited correlation results are presented in this report. Correlation results using scale model wind tunnel results show that the analysis can adequately predict trends of vibration variations with airspeed and higher harmonic control effects. Predictions of absolute values of vibration levels were found to be very sensitive to modal characteristics and results were not representative of measured values.

Exploring the state of health and safety management system performance measurement in mining organizations.

PubMed

Haas, Emily Joy; Yorio, Patrick

2016-03-01

Complex arguments continue to be articulated regarding the theoretical foundation of health and safety management system (HSMS) performance measurement. The culmination of these efforts has begun to enhance a collective understanding. Despite this enhanced theoretical understanding, however, there are still continuing debates and little consensus. The goal of the current research effort was to empirically explore common methods to HSMS performance measurement in mining organizations. The purpose was to determine if value and insight could be added into the ongoing approaches of the best ways to engage in health and safety performance measurement. Nine site-level health and safety management professionals were provided with 133 practices corresponding to 20 HSMS elements, each fitting into the plan, do, check, act phases common to most HSMS. Participants were asked to supply detailed information as to how they (1) assess the performance of each practice in their organization, or (2) would assess each practice if it were an identified strategic imperative. Qualitative content analysis indicated that the approximately 1200 responses provided could be described and categorized into interventions , organizational performance , and worker performance . A discussion of how these categories relate to existing indicator frameworks is provided. The analysis also revealed divergence in two important measurement issues; (1) quantitative vs qualitative measurement and reporting; and (2) the primary use of objective or subjective metrics. In lieu of these findings we ultimately recommend a balanced measurement and reporting approach within the three metric categories and conclude with suggestions for future research.

Exploring the state of health and safety management system performance measurement in mining organizations

PubMed Central

Haas, Emily Joy; Yorio, Patrick

2016-01-01

Complex arguments continue to be articulated regarding the theoretical foundation of health and safety management system (HSMS) performance measurement. The culmination of these efforts has begun to enhance a collective understanding. Despite this enhanced theoretical understanding, however, there are still continuing debates and little consensus. The goal of the current research effort was to empirically explore common methods to HSMS performance measurement in mining organizations. The purpose was to determine if value and insight could be added into the ongoing approaches of the best ways to engage in health and safety performance measurement. Nine site-level health and safety management professionals were provided with 133 practices corresponding to 20 HSMS elements, each fitting into the plan, do, check, act phases common to most HSMS. Participants were asked to supply detailed information as to how they (1) assess the performance of each practice in their organization, or (2) would assess each practice if it were an identified strategic imperative. Qualitative content analysis indicated that the approximately 1200 responses provided could be described and categorized into interventions, organizational performance, and worker performance. A discussion of how these categories relate to existing indicator frameworks is provided. The analysis also revealed divergence in two important measurement issues; (1) quantitative vs qualitative measurement and reporting; and (2) the primary use of objective or subjective metrics. In lieu of these findings we ultimately recommend a balanced measurement and reporting approach within the three metric categories and conclude with suggestions for future research. PMID:26823642

Game theoretic analysis of physical protection system design

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

Canion, B.; Schneider, E.; Bickel, E.

The physical protection system (PPS) of a fictional small modular reactor (SMR) facility have been modeled as a platform for a game theoretic approach to security decision analysis. To demonstrate the game theoretic approach, a rational adversary with complete knowledge of the facility has been modeled attempting a sabotage attack. The adversary adjusts his decisions in response to investments made by the defender to enhance the security measures. This can lead to a conservative physical protection system design. Since defender upgrades were limited by a budget, cost benefit analysis may be conducted upon security upgrades. One approach to cost benefitmore » analysis is the efficient frontier, which depicts the reduction in expected consequence per incremental increase in the security budget.« less

Predictors of psychopathology among Nigerian adolescents: the role of psychosocial, demographics, personality and medical condition reports domains.

PubMed

Taiwo, A O

2011-06-01

Psychopathology among adolescents has become a global concern in the last decade. The aim of this study was to identify the predictors of psychopathology among adolescents in Ibadan region using a multi-theoretical approach. Eight hundred and eighty-nine (889) male and female adolescents drawn from different parts of Ibadan region of the South-West Nigeria, participated in the study. The study is a cross-sectional survey and adopted an ex-post facto design. A questionnaire divided into six sections, with two versions was used for data collection. Analysis of data involved multiple/stepwise regressions, F-test & T-test. SPSS 10.0 computer programme was utilized for all analyses. Data showed that all the predictors jointly contributed 37% (P<0.0001) to the prediction of reported psychopathology. The domains of psychosocial, personality, demographic and medical condition reports all independently and significantly predicted psychopathology among the adolescents but psychosocial domain had the highest contribution of 16% (P<0.0001). Prevalence rate for psychopathology among the sampled adolescents was 0.152 (15.2%) at the criteria of one standard deviation above the mean. It is concluded that a multi-theoretical approach to the understanding of psychopathology among adolescents will be more appropriate in the Nigerian community. Results have implication for further assessment and treatments. Parents are advised to report any behavioural dysfunction observed in their wards to experts early enough to avoid degeneration to greater psychopathology in the later years.

Topics in the optimization of millimeter-wave mixers

NASA Technical Reports Server (NTRS)

Siegel, P. H.; Kerr, A. R.; Hwang, W.

1984-01-01

A user oriented computer program for the analysis of single-ended Schottky diode mixers is described. The program is used to compute the performance of a 140 to 220 GHz mixer and excellent agreement with measurements at 150 and 180 GHz is obtained. A sensitivity analysis indicates the importance of various diode and mount characteristics on the mixer performance. A computer program for the analysis of varactor diode multipliers is described. The diode operates in either the reverse biased varactor mode or with substantial forward current flow where the conversion mechanism is predominantly resistive. A description and analysis of a new H-plane rectangular waveguide transformer is reported. The transformer is made quickly and easily in split-block waveguide using a standard slitting saw. It is particularly suited for use in the millimeter-wave band, replacing conventional electroformed stepped transformers. A theoretical analysis of the transformer is given and good agreement is obtained with measurements made at X-band.

Interactive multi-mode blade impact analysis

NASA Technical Reports Server (NTRS)

Alexander, A.; Cornell, R. W.

1978-01-01

The theoretical methodology used in developing an analysis for the response of turbine engine fan blades subjected to soft-body (bird) impacts is reported, and the computer program developed using this methodology as its basis is described. This computer program is an outgrowth of two programs that were previously developed for the purpose of studying problems of a similar nature (a 3-mode beam impact analysis and a multi-mode beam impact analysis). The present program utilizes an improved missile model that is interactively coupled with blade motion which is more consistent with actual observations. It takes into account local deformation at the impact area, blade camber effects, and the spreading of the impacted missile mass on the blade surface. In addition, it accommodates plate-type mode shapes. The analysis capability in this computer program represents a significant improvement in the development of the methodology for evaluating potential fan blade materials and designs with regard to foreign object impact resistance.

Preventive interventions among children exposed to trauma of armed conflict: a literature review.

PubMed

Peltonen, Kirsi; Punamäki, Raija-Leena

2010-01-01

Increasing research is available on the preconditions for child mental health and optimal development in traumatic conditions, whereas less is known how to translate the findings into effective interventions to help traumatized children. This literature review analyses the effectiveness of psychosocial preventive interventions and treatments and their theoretical bases among children traumatized in the context of armed conflicts (war, military violence, terrorism and refugee). The first aim is to evaluate the effectiveness of preventive interventions in preventing emotional distress and impairment and promoting optimal emotional-cognitive and social development. The second task is to analyze the nature of the underlying mechanisms for the success of preventive interventions, and the theoretical premises of the choice of intervention techniques, procedures and tools. We found 16 relevant published studies, but an examination of them revealed that only four of them had experimental designs strong enough that they could be included in the meta-analysis. While the subjective reports of the researchers suggested that systematic preventive interventions were effective in decreasing PTSD and depressive symptoms among children traumatized due to armed conflict, the more objective results of the meta-analysis and the weaknesses in designs uncovered during the meta-analysis undermine such a conclusion. Additionally, a majority of the reported preventive interventions focused only on children's biased cognitive processes and negative emotions, while only a few aimed at influencing multiple domains of child development and improving developmental functioning on emotional, social and psychophysiological levels. It is concluded that substantial additional work needs to be done in developing effective preventive interventions and treatments for children traumatized by exposure to war and violence. (c) 2009 Wiley-Liss, Inc.

Adopting the sensemaking perspective for chronic disease self-management.

PubMed

Mamykina, Lena; Smaldone, Arlene M; Bakken, Suzanne R

2015-08-01

Self-monitoring is an integral component of many chronic diseases; however few theoretical frameworks address how individuals understand self-monitoring data and use it to guide self-management. To articulate a theoretical framework of sensemaking in diabetes self-management that integrates existing scholarship with empirical data. The proposed framework is grounded in theories of sensemaking adopted from organizational behavior, education, and human-computer interaction. To empirically validate the framework the researchers reviewed and analyzed reports on qualitative studies of diabetes self-management practices published in peer-reviewed journals from 2000 to 2015. The proposed framework distinguishes between sensemaking and habitual modes of self-management and identifies three essential sensemaking activities: perception of new information related to health and wellness, development of inferences that inform selection of actions, and carrying out daily activities in response to new information. The analysis of qualitative findings from 50 published reports provided ample empirical evidence for the proposed framework; however, it also identified a number of barriers to engaging in sensemaking in diabetes self-management. The proposed framework suggests new directions for research in diabetes self-management and for design of new informatics interventions for data-driven self-management. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations

NASA Astrophysics Data System (ADS)

Priya, Y. Sushma; Rao, K. Ramachandra; Chalapathi, P. V.; Satyavani, M.; Veeraiah, A.

2017-09-01

The vibrational and electronic properties of 2-coumaranone have been reported in the ground state using experimental techniques (FT-IR, FT-Raman, UV spectra and fluorescence microscopic imaging) and density functional theory (DFT) employing B3LYP correlation with the 6-31G(d, p) basis set. The theoretically reported optimized parameters, vibrational frequencies etc., were compared with the experimental values, which yielded good concurrence between the experimental and calculated values. The assignments of the vibrational spectra were done with the help of normal co-ordinate analysis (NCA) following the Scaled Quantum Mechanical Force Field(SQMFF) methodology. The whole assignments of fundamental modes were based on the potential energy distribution (PED) matrix. The electric dipole moment and the first order hyperpolarizability of the 2-coumaranone have been computed using quantum mechanical calculations. NBO and HOMO, LUMO analyses have been carried out. UV spectrum of 2-coumaranone was recorded in the region 100-300 nm and compared with the theoretical UV spectrum using TD-DFT and SAC-CI methods by which a good agreement is observed. Fluorescence microscopic imaging study reflects that the compound fluoresces in the green-yellow region.

Boundary shape identification problems in two-dimensional domains related to thermal testing of materials

NASA Technical Reports Server (NTRS)

Banks, H. T.; Kojima, Fumio

1988-01-01

The identification of the geometrical structure of the system boundary for a two-dimensional diffusion system is reported. The domain identification problem treated here is converted into an optimization problem based on a fit-to-data criterion and theoretical convergence results for approximate identification techniques are discussed. Results of numerical experiments to demonstrate the efficacy of the theoretical ideas are reported.

Proceedings of the Meeting of the Study Committee of International Federation for Documentation "Research on the Theoretical Basis of Information" (Moscow, 24-26 February 1970).

ERIC Educational Resources Information Center

All-Union Inst. for Scientific and Technical Information, Moscow (USSR).

Reports given before the Committee on "Research on the Theoretical Basis of Information" of the International Federation for Documentation (FID/RI) are presented unaltered and unabridged in English or in Russian -- the language of their presentation. Each report is accompanied by an English or Russian resume. Generally, only original…

Theoretical Analysis of Canadian Lifelong Education Development

ERIC Educational Resources Information Center

Mukan, Natalia; Barabash, Olena; Busko, Maria

2014-01-01

In the article, the problem of Canadian lifelong education development has been studied. The main objectives of the article are defined as theoretical analysis of scientific and pedagogical literature which highlights different aspects of the research problem; periods of lifelong education development; and determination of lifelong learning role…

A comparison of measured and theoretical predictions for STS ascent and entry sonic booms

NASA Technical Reports Server (NTRS)

Garcia, F., Jr.; Jones, J. H.; Henderson, H. R.

1983-01-01

Sonic boom measurements have been obtained during the flights of STS-1 through 5. During STS-1, 2, and 4, entry sonic boom measurements were obtained and ascent measurements were made on STS-5. The objectives of this measurement program were (1) to define the sonic boom characteristics of the Space Transportation System (STS), (2) provide a realistic assessment of the validity of xisting theoretical prediction techniques, and (3) establish a level of confidence for predicting future STS configuration sonic boom environments. Detail evaluation and reporting of the results of this program are in progress. This paper will address only the significant results, mainly those data obtained during the entry of STS-1 at Edwards Air Force Base (EAFB), and the ascent of STS-5 from Kennedy Space Center (KSC). The theoretical prediction technique employed in this analysis is the so called Thomas Program. This prediction technique is a semi-empirical method that required definition of the near field signatures, detailed trajectory characteristics, and the prevailing meteorological characteristics as an input. This analytical procedure then extrapolates the near field signatures from the flight altitude to an altitude consistent with each measurement location.

Analysis of theoretical knowledge and the practice of science among Brazilian otorhinolaryngologists.

PubMed

Mendonça, Vitor Rosa Ramos de; Alcântara, Thiago; Andrade, Nilvano; Andrade, Bruno Bezerril; Barral-Netto, Manoel; Boaventura, Viviane

2013-08-01

Physicians from all medical specialties are required to understand the principles of science and to interpret medical literature. Yet, the levels of theoretical and practical knowledge held by Brazilian otorhinolaryngologists has not been evaluated to date. To assess the background and level of scientific knowledge of Brazilian otorhinolaryngologists. Participants of two national ENT meetings were invited to answer a questionnaire to assess scientific practice and knowledge. This study included 73 medical doctors (52% otorhinolaryngologists and 38% residents) aged between 18 and 65 years. About two-thirds have been involved in some form of scientific activity during undergraduate education and/or reported to have written at least one scientific paper. Physicians who took part in research projects felt better prepared to interpret scientific papers and carry out research projects (p = 0.0103 and p = 0.0240, respectively). Respondents who claimed to have participated in research or to have written papers had higher scores on theoretical scientific concepts (p = 0.0101 and p = 0.0103, respectively). However, the overall rate of right answers on questions regarding scientific knowledge was 46.1%. Therefore, a deficiency was observed in the scientific education of Brazilian otorhinolaryngologists. Such deficiency may be mitigated through participation in research.

Complex dispersion relation of surface acoustic waves at a lossy metasurface

NASA Astrophysics Data System (ADS)

Schwan, Logan; Geslain, Alan; Romero-García, Vicente; Groby, Jean-Philippe

2017-01-01

The complex dispersion relation of surface acoustic waves (SAWs) at a lossy resonant metasurface is theoretically and experimentally reported. The metasurface consists of the periodic arrangement of borehole resonators in a rigid substrate. The theoretical model relies on a boundary layer approach that provides the effective metasurface admittance governing the complex dispersion relation in the presence of viscous and thermal losses. The model is experimentally validated by measurements in the semi-anechoic chamber. The complex SAW dispersion relation is experimentally retrieved from the analysis of the spatial Laplace transform of the pressure scanned along a line at the metasurface. The geometrical spreading of the energy from the speaker is accounted for, and both the real and imaginary parts of the SAW wavenumber are obtained. The results show that the strong reduction of the SAW group velocity occurs jointly with a drastic attenuation of the wave, leading to the confinement of the field close to the source and preventing the efficient propagation of such slow-sound surface modes. The method opens perspectives to theoretically predict and experimentally characterize both the dispersion and the attenuation of surface waves at structured surfaces.

Theoretical and experimental study of fenofibrate and simvastatin

NASA Astrophysics Data System (ADS)

Nicolás Vázquez, Inés; Rodríguez-Núñez, Jesús Rubén; Peña-Caballero, Vicente; Ruvalcaba, Rene Miranda; Aceves-Hernandez, Juan Manuel

2017-12-01

Fenofibrate, an oral fibrate lipid lowering agent, and simvastatin, which reduces plasma levels of low-density lipoprotein cholesterol, are active pharmaceutical ingredients (APIs), currently in the market. We characterized these APIs by thermal analysis and conducted X-ray powder diffraction techniques. Studies should be carried out in the formulation stage before the final composition of a polypill may be established. Thus, it was found in thermochemical studies that both compounds present no chemical interactions in an equimolar mixture of solid samples at room temperature. Theoretical studies were employed to determine possible interactions between fenofibrate and simvastatin. A very weak intramolecular hydrogen bond is formed between the hydroxyl group (O5H5) of the simvastatin with chlorine and carbonyl group (C11O4, C1O2) of the fenofibrate molecule. These weak energy hydrogen bonds have no effect on the chemical stability of the compounds studied. The results were obtained using Density Functional Theory methods; particularly the BPE1BPE and B3LYP functional and 6-31++G** basis set. The values of energy show good approximation when are compared with similar calculations previously reported. Infrared spectra of monomers and dimers were obtained via theoretical calculations.

Quantifying behavioural determinants relating to health professional reporting of medication errors: a cross-sectional survey using the Theoretical Domains Framework.

PubMed

Alqubaisi, Mai; Tonna, Antonella; Strath, Alison; Stewart, Derek

2016-11-01

The aims of this study were to quantify the behavioural determinants of health professional reporting of medication errors in the United Arab Emirates (UAE) and to explore any differences between respondents. A cross-sectional survey of patient-facing doctors, nurses and pharmacists within three major hospitals of Abu Dhabi, the UAE. An online questionnaire was developed based on the Theoretical Domains Framework (TDF, a framework of behaviour change theories). Principal component analysis (PCA) was used to identify components and internal reliability determined. Ethical approval was obtained from a UK university and all hospital ethics committees. Two hundred and ninety-four responses were received. Questionnaire items clustered into six components of knowledge and skills, feedback and support, action and impact, motivation, effort and emotions. Respondents generally gave positive responses for knowledge and skills, feedback and support and action and impact components. Responses were more neutral for the motivation and effort components. In terms of emotions, the component with the most negative scores, there were significant differences in terms of years registered as health professional (those registered longest most positive, p = 0.002) and age (older most positive, p < 0.001) with no differences for gender and health profession. Emotional-related issues are the dominant barrier to reporting and are common to all professions. There is a need to develop, test and implement an intervention to impact health professionals' emotions. Such an intervention should focus on evidence-based behaviour change techniques of reducing negative emotions, focusing on emotional consequences and providing social support. • This research used the Theoretical Domains Framework to quantify the behavioural determinants of health professional reporting of medication errors. • Questionnaire items relating to emotions surrounding reporting generated the most negative responses with significant differences in terms of years registered as health professional (those registered longest most positive) and age (older most positive) with no differences for gender and health profession. • Interventions based on behaviour change techniques mapped to emotions should be prioritised for development.

Assessing exposure to violence in urban youth.

PubMed

Selner-O'Hagan, M B; Kindlon, D J; Buka, S L; Raudenbush, S W; Earls, F J

1998-02-01

This study reports on the development of a structured interview, My Exposure to Violence (My ETV), that was designed to assess child and youth exposure to violence. Eighty participants between the ages of 9 and 24 were assessed. Data from My ETV were fit to a Rasch model for rating scales, a technique that generates interval level measures and allows the characterization of both chronic and acute exposure. Results indicated that the fit statistics for six scales, covering both lifetime and past year victimization, witnessing of violence, and total exposure, were all good. These scales were found to have high internal consistency (r = .68 to .93) and test-retest reliability (r = .75 to .94). Evidence of construct validity was provided by the item analysis, which revealed a theoretically sensible ordering of item extremity, and also by analysis of bivariate associations. As expected, younger subjects generally reported less exposure to violence than did older subjects, males reported more exposure than did females, African-American subjects reported higher levels of exposure than did White subjects, violent offenders reported more exposure than did non-offenders, and those living in high crime areas reported more exposure than did those residing in low crime areas. Future areas of investigation and the potential contribution to studies of antisocial behavior and post-traumatic stress disorder are discussed.

The limits of crop productivity: validating theoretical estimates and determining the factors that limit crop yields in optimal environments

NASA Technical Reports Server (NTRS)

Bugbee, B.; Monje, O.

1992-01-01

Plant scientists have sought to maximize the yield of food crops since the beginning of agriculture. There are numerous reports of record food and biomass yields (per unit area) in all major crop plants, but many of the record yield reports are in error because they exceed the maximal theoretical rates of the component processes. In this article, we review the component processes that govern yield limits and describe how each process can be individually measured. This procedure has helped us validate theoretical estimates and determine what factors limit yields in optimal environments.

(16) {C}16C-elastic scattering examined using several models at different energies

NASA Astrophysics Data System (ADS)

El-hammamy, M. N.; Attia, A.

2018-05-01

In the present paper, the first results concerning the theoretical analysis of the ^{16}C + p reaction by investigating two elastic scattering angular distributions measured at high energy compared to low energy for this system are reported. Several models for the real part of the nuclear potential are tested within the optical model formalism. The imaginary potential has a Woods-Saxon shape with three free parameters. Two types of density distribution and three different cluster structures for ^{16}C are assumed in the analysis. The results are compared with each other as well as with the experimental data to give evidence of the importance of these studied items.

[Raman, FTIR spectra and normal mode analysis of acetanilide].

PubMed

Liang, Hui-Qin; Tao, Ya-Ping; Han, Li-Gang; Han, Yun-Xia; Mo, Yu-Jun

2012-10-01

The Raman and FTIR spectra of acetanilide (ACN) were measured experimentally in the regions of 3 500-50 and 3 500-600 cm(-1) respectively. The equilibrium geometry and vibration frequencies of ACN were calculated based on density functional theory (DFT) method (B3LYP/6-311G(d, p)). The results showed that the theoretical calculation of molecular structure parameters are in good agreement with previous report and better than the ones calculated based on 6-31G(d), and the calculated frequencies agree well with the experimental ones. Potential energy distribution of each frequency was worked out by normal mode analysis, and based on this, a detailed and accurate vibration frequency assignment of ACN was obtained.

Wide-Field Imaging of Single-Nanoparticle Extinction with Sub-nm2 Sensitivity

NASA Astrophysics Data System (ADS)

Payne, Lukas M.; Langbein, Wolfgang; Borri, Paola

2018-03-01

We report on a highly sensitive wide-field imaging technique for quantitative measurement of the optical extinction cross section σext of single nanoparticles. The technique is simple and high speed, and it enables the simultaneous acquisition of hundreds of nanoparticles for statistical analysis. Using rapid referencing, fast acquisition, and a deconvolution analysis, a shot-noise-limited sensitivity down to 0.4 nm2 is achieved. Measurements on a set of individual gold nanoparticles of 5 nm diameter using this method yield σext=(10.0 ±3.1 ) nm2, which is consistent with theoretical expectations and well above the background fluctuations of 0.9 nm2 .

Theoretical NMR and conformational analysis of solvated oximes for organophosphates-inhibited acetylcholinesterase reactivation

NASA Astrophysics Data System (ADS)

da Silva, Jorge Alberto Valle; Modesto-Costa, Lucas; de Koning, Martijn C.; Borges, Itamar; França, Tanos Celmar Costa

2018-01-01

In this work, quaternary and non-quaternary oximes designed to bind at the peripheral site of acetylcholinesterase previously inhibited by organophosphates were investigated theoretically. Some of those oximes have a large number of degrees of freedom, thus requiring an accurate method to obtain molecular geometries. For this reason, the density functional theory (DFT) was employed to refine their molecular geometries after conformational analysis and to compare their 1H and 13C nuclear magnetic resonance (NMR) theoretical signals in gas-phase and in solvent. A good agreement with experimental data was achieved and the same theoretical approach was employed to obtain the geometries in water environment for further studies.

Is BAMM Flawed? Theoretical and Practical Concerns in the Analysis of Multi-Rate Diversification Models

PubMed Central

Mitchell, Jonathan S.; Chang, Jonathan

2017-01-01

Bayesian analysis of macroevolutionary mixtures (BAMM) is a statistical framework that uses reversible jump Markov chain Monte Carlo to infer complex macroevolutionary dynamics of diversification and phenotypic evolution on phylogenetic trees. A recent article by Moore et al. (MEA) reported a number of theoretical and practical concerns with BAMM. Major claims from MEA are that (i) BAMM’s likelihood function is incorrect, because it does not account for unobserved rate shifts; (ii) the posterior distribution on the number of rate shifts is overly sensitive to the prior; and (iii) diversification rate estimates from BAMM are unreliable. Here, we show that these and other conclusions from MEA are generally incorrect or unjustified. We first demonstrate that MEA’s numerical assessment of the BAMM likelihood is compromised by their use of an invalid likelihood function. We then show that “unobserved rate shifts” appear to be irrelevant for biologically plausible parameterizations of the diversification process. We find that the purportedly extreme prior sensitivity reported by MEA cannot be replicated with standard usage of BAMM v2.5, or with any other version when conventional Bayesian model selection is performed. Finally, we demonstrate that BAMM performs very well at estimating diversification rate variation across the \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{upgreek} \\usepackage{mathrsfs} \\setlength{\\oddsidemargin}{-69pt} \\begin{document} }{}${\\sim}$\\end{document}20% of simulated trees in MEA’s data set for which it is theoretically possible to infer rate shifts with confidence. Due to ascertainment bias, the remaining 80% of their purportedly variable-rate phylogenies are statistically indistinguishable from those produced by a constant-rate birth–death process and were thus poorly suited for the summary statistics used in their performance assessment. We demonstrate that inferences about diversification rates have been accurate and consistent across all major previous releases of the BAMM software. We recognize an acute need to address the theoretical foundations of rate-shift models for phylogenetic trees, and we expect BAMM and other modeling frameworks to improve in response to mathematical and computational innovations. However, we remain optimistic that that the imperfect tools currently available to comparative biologists have provided and will continue to provide important insights into the diversification of life on Earth. PMID:28334223

Is BAMM Flawed? Theoretical and Practical Concerns in the Analysis of Multi-Rate Diversification Models.

PubMed

Rabosky, Daniel L; Mitchell, Jonathan S; Chang, Jonathan

2017-07-01

Bayesian analysis of macroevolutionary mixtures (BAMM) is a statistical framework that uses reversible jump Markov chain Monte Carlo to infer complex macroevolutionary dynamics of diversification and phenotypic evolution on phylogenetic trees. A recent article by Moore et al. (MEA) reported a number of theoretical and practical concerns with BAMM. Major claims from MEA are that (i) BAMM's likelihood function is incorrect, because it does not account for unobserved rate shifts; (ii) the posterior distribution on the number of rate shifts is overly sensitive to the prior; and (iii) diversification rate estimates from BAMM are unreliable. Here, we show that these and other conclusions from MEA are generally incorrect or unjustified. We first demonstrate that MEA's numerical assessment of the BAMM likelihood is compromised by their use of an invalid likelihood function. We then show that "unobserved rate shifts" appear to be irrelevant for biologically plausible parameterizations of the diversification process. We find that the purportedly extreme prior sensitivity reported by MEA cannot be replicated with standard usage of BAMM v2.5, or with any other version when conventional Bayesian model selection is performed. Finally, we demonstrate that BAMM performs very well at estimating diversification rate variation across the ${\\sim}$20% of simulated trees in MEA's data set for which it is theoretically possible to infer rate shifts with confidence. Due to ascertainment bias, the remaining 80% of their purportedly variable-rate phylogenies are statistically indistinguishable from those produced by a constant-rate birth-death process and were thus poorly suited for the summary statistics used in their performance assessment. We demonstrate that inferences about diversification rates have been accurate and consistent across all major previous releases of the BAMM software. We recognize an acute need to address the theoretical foundations of rate-shift models for phylogenetic trees, and we expect BAMM and other modeling frameworks to improve in response to mathematical and computational innovations. However, we remain optimistic that that the imperfect tools currently available to comparative biologists have provided and will continue to provide important insights into the diversification of life on Earth. © The Author(s) 2017. Published by Oxford University Press, on behalf of the Society of Systematic Biologists.

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.

Analysis of the Cape Cod tracer data

USGS Publications Warehouse

Ezzedine, Souheil; Rubin, Yoram

1997-01-01

An analysis of the Cape Cod test was performed using several first- and higher-order theoretical models. We compare conditional and unconditional solutions of the transport equation and employ them for analysis of the experimental data. We consider spatial moments, mass breakthrough curves, and the distribution of the solute mass in space. The concentration measurements were also analyzed using theoretical models for the expected value and variance of concentration. The theoretical models we employed are based on the spatial correlation structure of the conductivity field, without any fitting of parameters to the tracer data, and hence we can test the predictive power of the theories tested. The effects of recharge on macrodispersion are investigated, and it is shown that recharge provides a reasonable explanation for the enhanced lateral spread of the Cape Cod plume. The compendium of the experimental results presented here is useful for testing of theoretical and numerical models.

Study on the influence of X-ray tube spectral distribution on the analysis of bulk samples and thin films: Fundamental parameters method and theoretical coefficient algorithms

NASA Astrophysics Data System (ADS)

Sitko, Rafał

2008-11-01

Knowledge of X-ray tube spectral distribution is necessary in theoretical methods of matrix correction, i.e. in both fundamental parameter (FP) methods and theoretical influence coefficient algorithms. Thus, the influence of X-ray tube distribution on the accuracy of the analysis of thin films and bulk samples is presented. The calculations are performed using experimental X-ray tube spectra taken from the literature and theoretical X-ray tube spectra evaluated by three different algorithms proposed by Pella et al. (X-Ray Spectrom. 14 (1985) 125-135), Ebel (X-Ray Spectrom. 28 (1999) 255-266), and Finkelshtein and Pavlova (X-Ray Spectrom. 28 (1999) 27-32). In this study, Fe-Cr-Ni system is selected as an example and the calculations are performed for X-ray tubes commonly applied in X-ray fluorescence analysis (XRF), i.e., Cr, Mo, Rh and W. The influence of X-ray tube spectra on FP analysis is evaluated when quantification is performed using various types of calibration samples. FP analysis of bulk samples is performed using pure-element bulk standards and multielement bulk standards similar to the analyzed material, whereas for FP analysis of thin films, the bulk and thin pure-element standards are used. For the evaluation of the influence of X-ray tube spectra on XRF analysis performed by theoretical influence coefficient methods, two algorithms for bulk samples are selected, i.e. Claisse-Quintin (Can. Spectrosc. 12 (1967) 129-134) and COLA algorithms (G.R. Lachance, Paper Presented at the International Conference on Industrial Inorganic Elemental Analysis, Metz, France, June 3, 1981) and two algorithms (constant and linear coefficients) for thin films recently proposed by Sitko (X-Ray Spectrom. 37 (2008) 265-272).

Theoretical Studies of Small-System Thermodynamics in Energetic Materials

DTIC Science & Technology

2016-01-06

SECURITY CLASSIFICATION OF: This is a comprehensive theoretical research program to investigate the fundamental principles of small-system thermodynamics ...a.k.a. nanothermodynamics). The proposed work is motivated by our desire to better understand the fundamental dynamics and thermodynamics of...for Public Release; Distribution Unlimited Final Report: Theoretical Studies of Small-System Thermodynamics in Energetic Materials The views, opinions

Path Analysis Tests of Theoretical Models of Children's Memory Performance

ERIC Educational Resources Information Center

DeMarie, Darlene; Miller, Patricia H.; Ferron, John; Cunningham, Walter R.

2004-01-01

Path analysis was used to test theoretical models of relations among variables known to predict differences in children's memory--strategies, capacity, and metamemory. Children in kindergarten to fourth grade (chronological ages 5 to 11) performed different memory tasks. Several strategies (i.e., sorting, clustering, rehearsal, and self-testing)…

Applying the Theory of Planned Behavior to reporting of forced sex by African-American college women.

PubMed

Amar, Angela Frederick

2009-12-01

Forced sex is a public health issue affecting many college women. Despite physical and mental health consequences, and multiple prevention programs on college campuses, most sexual violence goes unreported (Fisher, Daigle, Cullen, & Turner, 2003). The purpose of this research was to determine the significant attitudes and beliefs that are associated with reporting of forced sexual experiences. Guided by the Theory of Planned Behavior (TPB), the study used a predictive exploratory design to explore the association of intention to report forced sex with attitudes and beliefs (Ajzen, 1991). A convenience sample of 144 African-American women who were attending a private college in the south completed a survey. Women who expressed more favorable attitudes towards reporting, perceived reporting as being supported by important referents, and perceived more control over reporting, reported stronger intentions to report forced sex. The analysis supported the utility of TPB in predicting the intention to report forced sex by African-American college women. Theoretically significant and clinically relevant prevention strategies should incorporate important referents, address salient beliefs, and determine ways to increase perceived behavioral control.

Study on the Theoretical Foundation of Business English Curriculum Design Based on ESP and Needs Analysis

ERIC Educational Resources Information Center

Zhu, Wenzhong; Liu, Dan

2014-01-01

Based on a review of the literature on ESP and needs analysis, this paper is intended to offer some theoretical supports and inspirations for BE instructors to develop BE curricula for business contexts. It discusses how the theory of need analysis can be used in Business English curriculum design, and proposes some principles of BE curriculum…

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.

DFT analysis and spectral characteristics of Celecoxib a potent COX-2 inhibitor

NASA Astrophysics Data System (ADS)

Vijayakumar, B.; Kannappan, V.; Sathyanarayanamoorthi, V.

2016-10-01

Extensive quantum mechanical studies are carried out on Celecoxib (CXB), a new generation drug to understand the vibrational and electronic spectral characteristics of the molecule. The vibrational frequencies of CXB are computed by HF and B3LYP methods with 6-311++G (d, p) basis set. The theoretical scaled vibrational frequencies have been assigned and they agreed satisfactorily with experimental FT-IR and Raman frequencies. The theoretical maximum wavelength of absorption of CXB are calculated in water and ethanol by TD-DFT method and these values are compared with experimentally determined λmax values. The spectral and Natural bonds orbital (NBO) analysis in conjunction with spectral data established the presence of intra molecular interactions such as mesomeric, hyperconjugative and steric effects in CXB. The electron density at various positions and reactivity descriptors of CXB indicate that the compound functions as a nucleophile and establish that aromatic ring system present in the molecule is the site of drug action. Electronic distribution and HOMO - LUMO energy values of CXB are discussed in terms of intra-molecular interactions. Computed values of Mulliken charges and thermodynamic properties of CXB are reported.

Reconceptualizing decisional balance in an adolescent sun protection intervention: mediating effects and theoretical interpretations.

PubMed

Adams, Marc A; Norman, Gregory J; Hovell, Melbourne F; Sallis, James F; Patrick, Kevin

2009-03-01

The Transtheoretical model (TTM) integrates principles of operant learning, such as stimulus control and reinforcement, and psychological factors, such as decisional balance. Understanding interrelationships between decisions, behavior, and consequences from multiple-theoretical perspectives can advance theory and inform development of more effective interventions. This analysis examined the mediating effects of a special case of the decisional balance construct in which the pros of competing behaviors (i.e., sun protection vs. exposure) were measured rather than the pros and cons of the same behavior. Participants included 819 adolescents (10 to 16 years old, 53.5% girls, 58.4% White) randomized to a 24-month expert system intervention (SunSmart) or a physical activity and nutrition comparison group. Self-report measures included sun protection behaviors, pros for protection, and pros for exposure. Mediation analysis using latent growth curve models found both the treatment-to-mediator and mediator-to-behavior paths significant for decisional balance, producing an indirect effect of .323 (p < .01) and good model fit (CFI = .973, RMSEA = .055). Multiple strategies for conceptualizing and measuring decisional balance appear to be valid. Results are interpreted from the TTM and operant perspectives. (c) 2009 APA, all rights reserved

An Analysis and Procedure for Determining Space Environmental Sink Temperatures With Selected Computational Results

NASA Technical Reports Server (NTRS)

Juhasz, Albert J.

2001-01-01

The purpose of this report was to analyze the heat-transfer problem posed by the determination of spacecraft temperatures and to incorporate the theoretically derived relationships in the computational code TSCALC. The basis for the code was a theoretical analysis of the thermal radiative equilibrium in space, particularly in the Solar System. Beginning with the solar luminosity, the code takes into account these key variables: (1) the spacecraft-to-Sun distance expressed in astronomical units (AU), where 1 AU represents the average Sun-to-Earth distance of 149.6 million km; (2) the angle (arc degrees) at which solar radiation is incident upon a spacecraft surface (ILUMANG); (3) the spacecraft surface temperature (a radiator or photovoltaic array) in kelvin, the surface absorptivity-to-emissivity ratio alpha/epsilon with respect to the solar radiation and (alpha/epsilon)(sub 2) with respect to planetary radiation; and (4) the surface view factor to space F. Outputs from the code have been used to determine environmental temperatures in various Earth orbits. The code was also utilized as a subprogram in the design of power system radiators for deep-space probes.

Solid propellant rocket motor internal ballistics performance variation analysis, phase 3

NASA Technical Reports Server (NTRS)

Sforzini, R. H.; Foster, W. A., Jr.; Murph, J. E.; Adams, G. W., Jr.

1977-01-01

Results of research aimed at improving the predictability of off nominal internal ballistics performance of solid propellant rocket motors (SRMs) including thrust imbalance between two SRMs firing in parallel are reported. The potential effects of nozzle throat erosion on internal ballistic performance were studied and a propellant burning rate low postulated. The propellant burning rate model when coupled with the grain deformation model permits an excellent match between theoretical results and test data for the Titan IIIC, TU455.02, and the first Space Shuttle SRM (DM-1). Analysis of star grain deformation using an experimental model and a finite element model shows the star grain deformation effects for the Space Shuttle to be small in comparison to those of the circular perforated grain. An alternative technique was developed for predicting thrust imbalance without recourse to the Monte Carlo computer program. A scaling relationship used to relate theoretical results to test results may be applied to the alternative technique of predicting thrust imbalance or to the Monte Carlo evaluation. Extended investigation into the effect of strain rate on propellant burning rate leads to the conclusion that the thermoelastic effect is generally negligible for both steadily increasing pressure loads and oscillatory loads.

A meta-analytic investigation of the relationship between attentional bias and subjective craving in substance abuse.

PubMed

Field, Matt; Munafò, Marcus R; Franken, Ingmar H A

2009-07-01

Theoretical models of addiction suggest that attentional bias for substance-related cues should be associated with self-reported craving. The authors evaluated the strength of the association by performing a meta-analysis on 68 independent data sets from which correlation coefficients between subjective craving and attentional bias indices were derived. Additional stratified analyses were conducted to identify any variables that might moderate the association between craving and attentional bias. The primary meta-analysis indicated a significant, albeit weak (r=.19), association between attentional bias and craving. Stratified analyses revealed that the association was larger for illicit drug and caffeine craving than for alcohol and tobacco craving, larger for direct measures of attention (eye movement measures and event-related potential measures) than for indirect behavioral measures of attentional bias, and larger when craving strength was high than when it was low (all ps<.05). The size of the correlation did not differ among patients in treatment and individuals who were not seeking treatment. These results suggest that attentional bias and craving are related phenomena, although the relationship is generally modest and appears to be moderated by various factors. Theoretical implications are discussed. Copyright (c) 2009 APA, all rights reserved.

Transmittance enhancement of sapphires with antireflective subwavelength grating patterned UV polymer surface structures by soft lithography.

PubMed

Lee, Soo Hyun; Leem, Jung Woo; Yu, Jae Su

2013-12-02

We report the total and diffuse transmission enhancement of sapphires with the ultraviolet curable SU8 polymer surface structures consisting of conical subwavelength gratings (SWGs) at one- and both-side surfaces for different periods. The SWGs patterns on the silicon templates were transferred into the SU8 polymer film surface on sapphires by a simple and cost-effective soft lithography technique. For the fabricated samples, the surface morphologies, wetting behaviors, and optical characteristics were investigated. For theoretical optical analysis, a rigorous coupled-wave analysis method was used. At a period of 350 nm, the sample with SWGs on SU8 film/sapphire exhibited a hydrophobic surface and higher total transmittance compared to the bare sapphire over a wide wavelength of 450-1000 nm. As the period of SWGs was increased, the low total transmittance region of < 85% was shifted towards the longer wavelengths and became broader while the diffuse transmittance was increased (i.e., larger haze ratio). For the samples with SWGs at both-side surfaces, the total and diffuse transmittance spectra were further enhanced compared to the samples with SWGs at one-side surface. The theoretical optical calculation results showed a similar trend to the experimentally measured data.

Understanding Skill in EVA Mass Handling. Volume 1; Theoretical and Operational Foundations

NASA Technical Reports Server (NTRS)

Riccio, Gary; McDonald, Vernon; Peters, Brian; Layne, Charles; Bloomberg, Jacob

1997-01-01

This report describes the theoretical and operational foundations for our analysis of skill in extravehicular mass handling. A review of our research on postural control, human-environment interactions, and exploratory behavior in skill acquisition is used to motivate our analysis. This scientific material is presented within the context of operationally valid issues concerning extravehicular mass handling. We describe the development of meaningful empirical measures that are relevant to a special class of nested control systems: manual interactions between an individual and the substantial environment. These measures are incorporated into a unique empirical protocol implemented on NASA's principal mass handling simulator, the precision air-bearing floor, in order to evaluate skill in extravehicular mass handling. We discuss the components of such skill with reference to the relationship between postural configuration and controllability of an orbital replacement unit, the relationship between orbital replacement unit control and postural stability, the relationship between antecedent and consequent movements of an orbital replacement unit, and the relationship between antecedent and consequent postural movements. Finally, we describe our expectations regarding the operational relevance of the empirical results as it pertains to extravehicular activity tools, training, monitoring, and planning.

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.

Electronic structure of germanium selenide investigated using ultra-violet photo-electron spectroscopy

NASA Astrophysics Data System (ADS)

Mishra, P.; Lohani, H.; Kundu, A. K.; Patel, R.; Solanki, G. K.; Menon, Krishnakumar S. R.; Sekhar, B. R.

2015-07-01

The valence band electronic structure of GeSe single crystals has been investigated using angle resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy. The experimentally observed bands from ARPES, match qualitatively with our LDA-based band structure calculations along the Γ-Z, Γ-Y and Γ-T symmetry directions. The valence band maximum occurs nearly midway along the Γ-Z direction, at a binding energy of -0.5 eV, substantiating the indirect band gap of GeSe. Non-dispersive features associated with surface states and indirect transitions have been observed. The difference in hybridization of Se and Ge 4p orbitals leads to the variation of dispersion along the three symmetry directions. The predominance of the Se 4pz orbitals, evidenced from theoretical calculations, may be the cause for highly dispersive bands along the Γ-T direction. Detailed electronic structure analysis reveals the significance of the cation-anion 4p orbitals hybridization in the valence band dispersion of IV-VI semiconductors. This is the first comprehensive report of the electronic structure of a GeSe single crystal using ARPES in conjugation with theoretical band structure analysis.

Excited Negative Ions and Molecules and Negative Ion Production

DTIC Science & Technology

1992-01-01

theoretically to have negative electron affinities, analogous to the rare gases. Then, Froese Fischer et al.I found theoretically that Ca- exists...AD-A247 017 Final Report - January 1992 EXCITED NEGATIVE IONS AND MOLECULES AND NEGATIVE ION PRODUCTION OTIC James R. Peterson, Senior Staff...Vice President 92-05594Physical Sciences Division1111111111II fuii 1111 ii 92 3 ’ Final Report . January 1992 EXCITED NEGATIVE IONS AND MOLECULES AND

Linear and nonlinear analysis of fluid slosh dampers

NASA Astrophysics Data System (ADS)

Sayar, B. A.; Baumgarten, J. R.

1982-11-01

A vibrating structure and a container partially filled with fluid are considered coupled in a free vibration mode. To simplify the mathematical analysis, a pendulum model to duplicate the fluid motion and a mass-spring dashpot representing the vibrating structure are used. The equations of motion are derived by Lagrange's energy approach and expressed in parametric form. For a wide range of parametric values the logarithmic decrements of the main system are calculated from theoretical and experimental response curves in the linear analysis. However, for the nonlinear analysis the theoretical and experimental response curves of the main system are compared. Theoretical predictions are justified by experimental observations with excellent agreement. It is concluded finally that for a proper selection of design parameters, containers partially filled with viscous fluids serve as good vibration dampers.

Structural properties of lead-lithium alloys

NASA Astrophysics Data System (ADS)

Khambholja, S. G.; Satikunvar, D. D.; Abhishek, Agraj; Thakore, B. Y.

2018-05-01

Lead-Lihtium alloys have found large number of applications as liquid metal coolants in nuclear reactors. Large number of experimental work is reported for this system. However, complete theoretical description is still rare. In this scenario, we in the present work report the study of ground state properties of Lead-Lithium system. The present study is performed using plane wave pseudopotential density functional theory as implemented in Quantum ESPRESSO package. The theoretical findings are in agreement with previously reported experimental data. Some conclusions are drawn based on present study, which will be helpful for a comprehensive study.

Profiles of Reactivity in Cocaine-Exposed Children

PubMed Central

Schuetze, Pamela; Molnar, Danielle S.; Eiden, Rina D.

2012-01-01

This study explored the possibility that specific, theoretically consistent profiles of reactivity could be identified in a sample of cocaine-exposed infants and whether these profiles were associated with a range of infant and/or maternal characteristics. Cluster analysis was used to identify distinct groups of infants based on physiological, behavioral and maternal reported measures of reactivity. Five replicable clusters were identified which corresponded to 1) Dysregulated/High Maternal Report Reactors, 2) Low Behavioral Reactors, 3) High Reactors, 4) Optimal Reactors and 5) Dysregulated/Low Maternal Report Reactors. These clusters were associated with differences in prenatal cocaine exposure status, birthweight, maternal depressive symptoms, and maternal negative affect during mother-infant interactions. These results support the presence of distinct reactivity profiles among high risk infants recruited on the basis of prenatal cocaine exposure and demographically similar control group infants not exposed to cocaine. PMID:23204615

Understanding the interface of six-shell cuboctahedral and icosahedral palladium clusters on reduced graphene oxide: experimental and theoretical study.

PubMed

Gracia-Espino, Eduardo; Hu, Guangzhi; Shchukarev, Andrey; Wågberg, Thomas

2014-05-07

Studies on noble-metal-decorated carbon nanostructures are reported almost on a daily basis, but detailed studies on the nanoscale interactions for well-defined systems are very rare. Here we report a study of reduced graphene oxide (rGOx) homogeneously decorated with palladium (Pd) nanoclusters with well-defined shape and size (2.3 ± 0.3 nm). The rGOx was modified with benzyl mercaptan (BnSH) to improve the interaction with Pd clusters, and N,N-dimethylformamide was used as solvent and capping agent during the decoration process. The resulting Pd nanoparticles anchored to the rGOx-surface exhibit high crystallinity and are fully consistent with six-shell cuboctahedral and icosahedral clusters containing ~600 Pd atoms, where 45% of these are located at the surface. According to X-ray photoelectron spectroscopy analysis, the Pd clusters exhibit an oxidized surface forming a PdO(x) shell. Given the well-defined experimental system, as verified by electron microscopy data and theoretical simulations, we performed ab initio simulations using 10 functionalized graphenes (with vacancies or pyridine, amine, hydroxyl, carboxyl, or epoxy groups) to understand the adsorption process of BnSH, their further role in the Pd cluster formation, and the electronic properties of the graphene-nanoparticle hybrid system. Both the experimental and theoretical results suggest that Pd clusters interact with functionalized graphene by a sulfur bridge while the remaining Pd surface is oxidized. Our study is of significant importance for all work related to anchoring of nanoparticles on nanocarbon-based supports, which are used in a variety of applications.

Barriers to and enablers of diabetic retinopathy screening attendance: a systematic review of published and grey literature.

PubMed

Graham-Rowe, E; Lorencatto, F; Lawrenson, J G; Burr, J M; Grimshaw, J M; Ivers, N M; Presseau, J; Vale, L; Peto, T; Bunce, C; Francis, J J

2018-05-23

To identify and synthesize studies reporting modifiable barriers/enablers associated with retinopathy screening attendance in people with Type 1 or Type 2 diabetes, and to identify those most likely to influence attendance. We searched MEDLINE, EMBASE, PsycINFO, Cochrane Library and the 'grey literature' for quantitative and qualitative studies to February 2017. Data (i.e. participant quotations, interpretive summaries, survey results) reporting barriers/enablers were extracted and deductively coded into domains from the Theoretical Domains Framework; with domains representing categories of theoretical barriers/enablers proposed to mediate behaviour change. Inductive thematic analysis was conducted within domains to describe the role each domain plays in facilitating or hindering screening attendance. Domains that were more frequently coded and for which more themes were generated were judged more likely to influence attendance. Sixty-nine primary studies were included. We identified six theoretical domains ['environmental context and resources' (75% of included studies), 'social influences' (51%), 'knowledge' (50%), 'memory, attention, decision processes' (50%), 'beliefs about consequences' (38%) and 'emotions' (33%)] as the key mediators of diabetic retinopathy screening attendance. Examples of barriers populating these domains included inaccurate diabetic registers and confusion between routine eye care and retinopathy screening. Recommendations by healthcare professionals and community-level media coverage acted as enablers. Across a variety of contexts, we found common barriers to and enablers of retinopathy screening that could be targeted in interventions aiming to increase screening attendance. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Drag Reducing and Cavitation Resistant Coatings

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

Pease, Leonard F.

2016-12-28

Client, Green Building Systems (GBS), presented PNNL a coating reported to reduce drag and prevent cavitation damage on marine vessels, turbines and pumps. The composition of the coating remains proprietary but has as constituents including silicon oxides, aliphatic carbon chains, and fluorine rich particles. The coating is spray applied to surfaces. Prior GBS testing and experiments suggest reduction of both drag and cavitation on industrial scale propellers, but the underlying mechanism for these effects remains unclear. Yet, the application is compelling because even modest reductions in drag to marine vessels and cavitation to propellers and turbines present a significant economicmore » and environmental opportunity. To discern among possible mechanisms, PNNL considered possible mechanisms with the client, executed multiple experiments, and completed one theoretical analysis (see appendix). The remainder of this report first considers image analysis to gain insight into drag reduction mechanisms and then exposes the coating to cavitation to explore its response to an intensely cavitating environment. Although further efforts may be warranted to confirm mechanisms, this report presents a first investigation into these coatings within the scope and resources of the technology assistance program (TAP).« less

Development of solar wind shock models with tensor plasma pressure for data analysis

NASA Technical Reports Server (NTRS)

Abraham-Shrauner, B.

1975-01-01

The development of solar wind shock models with tensor plasma pressure and the comparison of some of the shock models with the satellite data from Pioneer 6 through Pioneer 9 are reported. Theoretically, difficulties were found in non-turbulent fluid shock models for tensor pressure plasmas. For microscopic shock theories nonlinear growth caused by plasma instabilities was frequently not clearly demonstrated to lead to the formation of a shock. As a result no clear choice for a shock model for the bow shock or interplanetary tensor pressure shocks emerged.

Electron-positron momentum distribution measurements of high-T superconductors and related systems

NASA Astrophysics Data System (ADS)

Wachs, A. L.; Turchi, P. E. A.; Howell, R. J.; Jean, Y. C.; Fluss, M. J.; West, R. N.; Kaiser, J. H.; Rayner, S.; Hahgighi, H.; Merkle, K. L.

1989-08-01

Measurements are discussed of the 2-D angular correlation of positron annihilation radiation (ACAR) in La2CuO4, YBa2Cu3O7 (YBCO), and NiO. The measurements for NiO are the first such 2-D ACAR measurements; the YBCO results are of a higher statistical quality than previously reported in the literature. The data are compared with complementary theoretical calculations and with each other. The implication is discussed of the analysis for ACAR studies of similar and related systems.

User’s Guide for Crew Chief: A Computer Graphics Simulation of an Aircraft Maintenance Technician (Version 1 - CD 20)

DTIC Science & Technology

1988-05-25

theoretical approaches used in developing the proqrams. The introduction of the report (Section 1) gives general background of the concepts and... GENERATION 1-5 1.3 WORKPLACE DESIGN 1-6 1.4 THE CREW CHIEF MAINTENANCE ANALYSIS PROGRAMS 1-7 1.5 GETTING STARTED 1-11 2 CREW CHIEF GENERATION FUNCTIONS...OPTIONS 8-1 9 QUICK REFERENCE 9-1 9.1 CREW CHIEF GENERATION FUNCTIONS (@CCGEN) 9-1 9.1.1 CREW CHIEF Initialization Function (CCINIT) 9-1 9.1.2 CREW CHIEF

Frequency-Domain Identification Of Aeroelastic Modes

NASA Technical Reports Server (NTRS)

Acree, C. W., Jr.; Tischler, Mark B.

1991-01-01

Report describes flight measurements and frequency-domain analyses of aeroelastic vibrational modes of wings of XV-15 tilt-rotor aircraft. Begins with description of flight-test methods. Followed by brief discussion of methods of analysis, which include Fourier-transform computations using chirp z transformers, use of coherence and other spectral functions, and methods and computer programs to obtain frequencies and damping coefficients from measurements. Includes brief description of results of flight tests and comparisions among various experimental and theoretical results. Ends with section on conclusions and recommended improvements in techniques.

Research in space physics at the University of Iowa

NASA Technical Reports Server (NTRS)

Vanallen, J. A.

1979-01-01

Current investigations relating to energetic particles and the electric, magnetic, and electromagnetic fields associated with the earth, the sun, the moon, the planets, comets, and the interplanetary medium are reported. Primary emphasis is on observational work using a wide diversity of intruments on satellites of the earth and the moon and on planetary and interplanetary spacecraft, and on phenomenological analysis and interpretation. Secondary emphasis is given to closely related observational work by ground based radio-astronomical and optical techniques, and to theoretical problems in plasma physics as relevant to solar, planetary, and interplanetary phenomena.

Report of the Terrestrial Bodies Science Working Group. Volume 9: Complementary research and development

NASA Technical Reports Server (NTRS)

Fanale, F. P.; Kaula, W. M.; Mccord, T. B.; Trombka, J. L.

1977-01-01

Topics discussed include the need for: the conception and development of a wide spectrum of experiments, instruments, and vehicles in order to derive the proper return from an exploration program; the effective use of alternative methods of data acquisition involving ground-based, airborne and near Earth orbital techniques to supplement spacraft mission; and continued reduction and analysis of existing data including laboratory and theoretical studies in order to benefit fully from experiments and to build on the past programs toward a logical and efficient exploration of the solar system.

Energy scale of compositional disorder in Ga(AsBi)

NASA Astrophysics Data System (ADS)

Shakfa, M. K.; Jandieri, K.; Wiemer, M.; Ludewig, P.; Volz, K.; Stolz, W.; Baranovskii, S. D.; Koch, M.

2015-10-01

We report on a study of compositional disorder in Ga(AsBi) structures. Temperature-dependent photoluminescence measurements on Ga(AsBi)/GaAs heterostructures with different Bi contents are performed. Experimental observations show an essentially non-monotonous dependence of the energy scale of disorder on the Bi content. Our theoretical analysis concludes that this peculiar behavior is a consequence of an essential bowing of the valence band edge as a function of Bi content and of a specific compositional dependence of the hole effective mass in Ga(AsBi) compounds.

Ultra-compact laser beam steering device using holographically formed two dimensional photonic crystal.

PubMed

Dou, Xinyuan; Chen, Xiaonan; Chen, Maggie Yihong; Wang, Alan Xiaolong; Jiang, Wei; Chen, Ray T

2010-03-01

In this paper, we report the theoretical study of polymer-based photonic crystals for laser beam steering which is based on the superprism effect as well as the experiment fabrication of the two dimensional photonic crystals for the laser beam steering. Superprism effect, the principle for beam steering, was separately studied in details through EFC (Equifrequency Contour) analysis. Polymer based photonic crystals were fabricated through double exposure holographic interference method using SU8-2007. The experiment results showed a beam steering angle of 10 degree for 30 nm wavelength variation.

Spin-exchange effects in elastic electron-radical collisions

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

Fujimoto, M. M.; Michelin, S. E.; Iga, I.

2006-01-15

This work presents a theoretical investigation on the spin-exchange effects in the low-energy elastic electron-C{sub 2}O radical collisions. Spin-polarization differential and integral cross sections calculated in the 1-10-eV energy range are reported. Our calculation has shown that the exchange between the scattering and unpaired target electron is strongly influenced by the occurrence of shape resonances. More specifically, our calculated rotationally summed spin-polarization fractions show significant deviation from unity in the resonance region. An analysis of the contributions from individual rotational transitions is also made.

Proceedings of the Non-Linear Aero Prediction Requirements Workshop

NASA Technical Reports Server (NTRS)

Logan, Michael J. (Editor)

1994-01-01

The purpose of the Non-Linear Aero Prediction Requirements Workshop, held at NASA Langley Research Center on 8-9 Dec. 1993, was to identify and articulate requirements for non-linear aero prediction capabilities during conceptual/preliminary design. The attendees included engineers from industry, government, and academia in a variety of aerospace disciplines, such as advanced design, aerodynamic performance analysis, aero methods development, flight controls, and experimental and theoretical aerodynamics. Presentations by industry and government organizations were followed by panel discussions. This report contains copies of the presentations and the results of the panel discussions.

Fine structure of transient waves in a random medium: The correlation and spectral density functions

NASA Technical Reports Server (NTRS)

Wenzel, Alan R.

1994-01-01

This is essentially a progress report on a theoretical investigation of the propagation of transient waves in a random medium. The emphasis in this study is on applications to sonic-boom propagation, particularly as regards the effect of atmospheric turbulence on the sonic-boom waveform. The analysis is general, however, and is applicable to other types of waves besides sonic-boom waves. The phenomenon of primary concern in this investigation is the fine structure of the wave. A figure is used to illustrate what is meant by finestructure.

Electron-position momentum distribution measurements of high-T c superconductors and related systems

NASA Astrophysics Data System (ADS)

Wachs, A. L.; Turchi, P. E. A.; Howell, R. H.; Jean, Y. C.; Fluss, M. J.; West, R. N.; Kaiser, J. H.; Rayner, S.; Haghighi, H.; Merkle, K. L.; Revcolevschi, A.; Wang, Z. Z.

1989-12-01

We discuss our measurements of the 2D-angular correlation of positron annihilation radiation (ACAR) in La 2CuO 4, YBa 2Cu 3O 7 (YBCO), and NiO. The measurements for NiO are the first such 2D-ACAR measurements; the YBCO results are of a higher statistical quality than previously reported in the literature. The data are compared with complementary theoretical calculations and with each other. We discuss the implication of our analysis for ACAR studies of similar and related systems.

Photophysical, electrochemical, thermal and aggregation properties of new metal phthalocyanines

NASA Astrophysics Data System (ADS)

Jeong, Jaemyeng; Kumar, Rangaraju Satish; Mergu, Naveen; Son, Young-A.

2017-11-01

In this study, the synthesis of di(ethylene glycol) naphthalene substituted metal-phthalocyanines was reported. These novel phthalocyanines were characterized by elemental and spectroscopic analysis, including 1H NMR, FT-IR, UV-Vis spectral and MALDI-TOF mass data. The aggregation behavior of these phthalocyanines was examined in chloroform at different concentrations, and we confirmed that the phthalocyanines were non-aggregated. Further thermal stability, electrochemical, theoretical studies and metal sensing properties also investigated. In addition, we successfully prepared phthalocyanine (6d) blended polyurethane electrospun (ES) nanofibers.

Theoretical analysis of microwave propagation

NASA Astrophysics Data System (ADS)

Parl, S.; Malaga, A.

1984-04-01

This report documents a comprehensive investigation of microwave propagation. The structure of line-of-sight multipath is determined and the impact on practical diversity is discussed. A new model of diffraction propagation for multiple rounded obstacles is developed. A troposcatter model valid at microwave frequencies is described. New results for the power impulse response, and the delay spread and Doppler spread are developed. A 2-component model separating large and small scale scatter effects is proposed. The prediction techniques for diffraction and troposcatter have been implemented in a computer program intended as a tool to analyze propagation experiments.

Integrative studies of thermoregulation in ectothermic vertebrates in aquatic habitats. Annual progress report, January 1-December 31, 1983

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

Spotila, J.R.; Standora, E.A.

1983-08-01

Field experiments are underway to determine the behavioral mechanisms by which largemouth bass, Micropterus salmoides, respond to rapid temperature changes in their natural environment. Site specificity of largemouth bass in Pond C has been determined. Laboratory experiments have clarified the relationship between basking behavior and metabolism of the turtle, Pseudemys scripta, and its nutritional state. Theoretical analysis and mathematical modeling continue and have been used to define the role of body size in the thermoregulation of turtles. 40 references, 24 figures.

Pinning synchronization of delayed complex dynamical networks with nonlinear coupling

NASA Astrophysics Data System (ADS)

Cheng, Ranran; Peng, Mingshu; Yu, Weibin

2014-11-01

In this paper, we find that complex networks with the Watts-Strogatz or scale-free BA random topological architecture can be synchronized more easily by pin-controlling fewer nodes than regular systems. Theoretical analysis is included by means of Lyapunov functions and linear matrix inequalities (LMI) to make all nodes reach complete synchronization. Numerical examples are also provided to illustrate the importance of our theoretical analysis, which implies that there exists a gap between the theoretical prediction and numerical results about the minimum number of pinning controlled nodes.

Development and Application of Low Energy X-Ray and Electron Physics.

DTIC Science & Technology

1981-01-01

measured and theoretical photoionization cross section data (including those measured in this laboratory). In 1975, a detailed set of tables of these...available reported (to 1980) experimental and theoretical photoionization cross section data have been compiled and reviewed particularly for the low energy...orbital dimensions, the current theoretical partial photoionization cross section calculations have been applied to yield oscillator densities which permit

Advanced Concepts Theory Annual Report 1983.

DTIC Science & Technology

1984-05-18

variety of theoretical models, tools, and computational strategies to understand, guide, and predict the behavior of high brightness, laboratory x-ray... theoretical models must treat hard and soft x-ray emission from different electron configurations with K, L, and M shells, and they must include... theoretical effort has basis for comprehending the trends which appear in the been devoted to elucidating the effects of opacity on the numerical results

On-Line Monitoring and Diagnostics of the Integrity of Nuclear Plant Steam Generators and Heat Exchangers

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

Belle R. Upadhyaya; J. Wesley Hines

2004-09-27

Integrity monitoring and flaw diagnostics of flat beams and tubular structures was investigated in this research task using guided acoustic signals. A piezo-sensor suite was deployed to activate and collect Lamb wave signals that propagate along metallic specimens. The dispersion curves of Lamb waves along plate and tubular structures are generated through numerical analysis. Several advanced techniques were explored to extract representative features from acoustic time series. Among them, the Hilbert-Huang transform (HHT) is a recently developed technique for the analysis of non-linear and transient signals. A moving window method was introduced to generate the local peak characters from acousticmore » time series, and a zooming window technique was developed to localize the structural flaws. The time-frequency analysis and pattern recognition techniques were combined for classifying structural defects in brass tubes. Several types of flaws in brass tubes were tested, both in the air and in water. The techniques also proved to be effective under background/process noise. A detailed theoretical analysis of Lamb wave propagation was performed and simulations were carried out using the finite element software system ABAQUS. This analytical study confirmed the behavior of the acoustic signals acquired from the experimental studies. The report presents the background the analysis of acoustic signals acquired from piezo-electric transducers for structural defect monitoring. A comparison of the use of time-frequency techniques, including the Hilbert-Huang transform, is presented. The report presents the theoretical study of Lamb wave propagation in flat beams and tubular structures, and the need for mode separation in order to effectively perform defect diagnosis. The results of an extensive experimental study of detection, location, and isolation of structural defects in flat aluminum beams and brass tubes are presented. The results of this research show the feasibility of on-line monitoring of small structural flaws by the use of transient and nonlinear acoustic signal analysis, and its implementation by the proper design of a piezo-electric transducer suite.« less

Main rotor free wake geometry effects on blade air loads and response for helicopters in steady maneuvers. Volume 1: Theoretical formulation and analysis of results

NASA Technical Reports Server (NTRS)

Sadler, S. G.

1972-01-01

A mathematical model and computer program were implemented to study the main rotor free wake geometry effects on helicopter rotor blade air loads and response in steady maneuvers. The theoretical formulation and analysis of results are presented.

Theoretical Notes on the Sociological Analysis of School Reform Networks

ERIC Educational Resources Information Center

Ladwig, James G.

2014-01-01

Nearly two decades ago, Ladwig outlined the theoretical and methodological implications of Bourdieu's concept of the social field for sociological analyses of educational policy and school reform. The current analysis extends this work to consider the sociological import of one of the most ubiquitous forms of educational reform found around…

Researching Education Policy in a Globalized World: Theoretical and Methodological Considerations

ERIC Educational Resources Information Center

Lingard, Bob

2009-01-01

This paper shows how globalization has given rise to a number of new theoretical and methodological issues for doing education policy analysis linked to globalization's impact within critical social science. Critical policy analysis has always required critical "reflexivity" and awareness of the "positionality" of the policy analyst. However, as…

Mode Deactivation Therapy (MDT) Family Therapy: A Theoretical Case Analysis

ERIC Educational Resources Information Center

Apsche, J. A.; Ward Bailey, S. R.

2004-01-01

This case study presents a theoretical analysis of implementing mode deactivation therapy (MDT) (Apsche & Ward Bailey, 2003) family therapy with a 13 year old Caucasian male. MDT is a form of cognitive behavioral therapy (CBT) that combines the balance of dialectical behavior therapy (DBT) (Linehan, 1993), the importance of perception from…

A Content Analysis of Nine Literacy Journals, 2009-2014

ERIC Educational Resources Information Center

Parsons, Seth A.; Gallagher, Melissa A.

2016-01-01

The purpose of this study was to determine the topics being studied, theoretical perspectives being used, and methods being implemented in current literacy research. A research team completed a content analysis of nine journals from 2009 to 2014 to gather data. In the 1,238 articles analyzed, the topics, theoretical perspectives, research designs,…

Compaction Behavior of Granular Materials

NASA Astrophysics Data System (ADS)

Endicott, Mark R.; Kenkre, V. M.; Glass, S. Jill; Hurd, Alan J.

1996-03-01

We report the results of our recent study of compaction of granular materials. A theoretical model is developed for the description of the compaction of granular materials exemplified by granulated ceramic powders. Its predictions are compared to observations of uniaxial compaction tests of ceramic granules of PMN-PT, spray dried alumina and rutile. The theoretical model employs a volume-based statistical mechanics treatment and an activation analogy. Results of a computer simulation of random packing of discs in two dimensions are also reported. The effect of type of particle size distribution and other parameters of that distribution on the calculated quantities are discussed. We examine the implications of the results of the simulation for the theoretical model.

Theoretical Model for Volume Fraction of UC, 235U Enrichment, and Effective Density of Final U 10Mo Alloy

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

Devaraj, Arun; Prabhakaran, Ramprashad; Joshi, Vineet V.

2016-04-12

The purpose of this document is to provide a theoretical framework for (1) estimating uranium carbide (UC) volume fraction in a final alloy of uranium with 10 weight percent molybdenum (U-10Mo) as a function of final alloy carbon concentration, and (2) estimating effective 235U enrichment in the U-10Mo matrix after accounting for loss of 235U in forming UC. This report will also serve as a theoretical baseline for effective density of as-cast low-enriched U-10Mo alloy. Therefore, this report will serve as the baseline for quality control of final alloy carbon content

Depressed Mothers as Informants on Child Behavior: Methodological Issues

PubMed Central

Ordway, Monica Roosa

2011-01-01

Mothers with depressive symptoms more frequently report behavioral problems among their children than non-depressed mothers leading to a debate regarding the accuracy of depressed mothers as informants of children’s behavior. The purpose of this integrative review was to identify methodological challenges in research related to the debate. Data were extracted from 43 papers (6 theoretical, 36 research reports, and 1 instrument scoring manual). The analysis focused on the methodologies considered when using depressed mothers as informants. Nine key themes were identified and I concluded that researchers should incorporate multiple informants, identify the characteristics of maternal depression, and incorporate advanced statistical methodology. The use of a conceptual framework to understand informant discrepancies within child behavior evaluations is suggested for future research. PMID:21964958

The Stimulus Movement Effect: Allocation of Attention or Artifact?

NASA Technical Reports Server (NTRS)

Washburn, David A.

1993-01-01

In previous reports, including one by the author, learning has been shown to benefit by having discriminanda move rather than remain stationary. This stimulus movement effect might be attributed to several theoretical mechanisms, including attention, topological memory, and exposure duration. The series of experiments reported in this article was designed to Contrast these potential explanatory factors. Ten rhesus monkeys (Macaca mulatta) were tested on a variety of computerized tasks in which the stimuli remained stationary, flashed, or moved at systematically varied speeds. Performance was significantly best when the sample stimulus moved quickly and was poorest when the stimulus remained stationary. Further analysis of these data and other previously published data revealed that the distribution of the stimulus movement effect across trials supported an attention allocation interpretation.

Cigarette dependence questionnaire: development and psychometric testing with male smokers.

PubMed

Huang, Chih-Ling; Lin, Hsi-Hui; Wang, Hsiu-Hung

2010-10-01

This paper is a report of a study conducted to develop and test a theoretically derived Cigarette Dependence Questionnaire for adult male smokers. Fagerstrom questionnaires have been used worldwide to assess cigarette dependence. However, these assessments lack any theoretical perspective. A theory-based approach is needed to ensure valid assessment. In 2007, an initial pool of 103 Cigarette Dependence Questionnaire items was distributed to 109 adult smokers in Taiwan. Item analysis was conducted to select items for inclusion in the refined scale. The psychometric properties of the Cigarette Dependence Questionnaire were further evaluated 2007-08, when it was administered to 256 respondents and their saliva was collected and analysed for cotinine levels. Criterion validity was established through the Pearson correlation between the scale and saliva cotinine levels. Exploratory factor analysis was used to test construct validity. Reliability was determined with Cronbach's alpha coefficient and a 2-week test-retest coefficient. The selection of 30 items for seven perspectives was based on item analysis. One factor accounting for 44.9% of the variance emerged from the factor analysis. The factor was named as cigarette dependence. Cigarette Dependence Questionnaire scores were statistically significantly correlated with saliva cotinine levels (r = 0.21, P = 0.01). Cronbach's alpha was 0.95 and test-retest reliability using an intra-class correlation was 0.92. The Cigarette Dependence Questionnaire showed sound reliability and validity and could be used by nurses to set up smoking cessation interventions based on assessment of cigarette dependence. © 2010 Blackwell Publishing Ltd.

Numerical and experimental analysis of a thin liquid film on a rotating disk related to development of a spacecraft absorption cooling system

NASA Technical Reports Server (NTRS)

Faghri, Amir; Swanson, Theodore D.

1989-01-01

The numerical and experimental analysis of a thin liquid film on a rotating and a stationary disk related to the development of an absorber unit for a high capacity spacecraft absorption cooling system, is described. The creation of artificial gravity by the use of a centrifugal field was focused upon in this report. Areas covered include: (1) One-dimensional computation of thin liquid film flows; (2) Experimental measurement of film height and visualization of flow; (3) Two-dimensional computation of the free surface flow of a thin liquid film using a pressure optimization method; (4) Computation of heat transfer in two-dimensional thin film flow; (5) Development of a new computational methodology for the free surface flows using a permeable wall; (6) Analysis of fluid flow and heat transfer in a thin film in the presence and absence of gravity; and (7) Comparison of theoretical prediction and experimental data. The basic phenomena related to fluid flow and heat transfer on rotating systems reported here can also be applied to other areas of space systems.

Leadership: validation of a self-report scale.

PubMed

Dussault, Marc; Frenette, Eric; Fernet, Claude

2013-04-01

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

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.

Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions

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

Allen, Wesley D.; Schaefer, III, Henry F.

2015-11-14

This is the final report of the theoretical studies of elementary hydrocarbon species and their reactions. Part A has a bibliography of publications supported by DOE from 2010 to 2016 and Part B goes into recent research highlights.

Effect of microstructure on the static and dynamic behavior of recycled asphalt material

DOT National Transportation Integrated Search

2002-07-01

This report describes the research activities of a project dealing with theoretical/numerical modeling and experimental studies of the micromechanical behavior of recycled asphalt material. The theoretical work employed finite element techniques to d...

Navigation in Unfamiliar Cities: A Review of the Literature and a Theoretical Framework (Navigeren in Onbekende Steden: Een Literatuurstudie en een Theoretisch Kader)

DTIC Science & Technology

1989-10-02

REVIEW OF THE LITERATURE AND A J.M.C. Schraagen THEORETICAL FRAMEWORK 2 Nothing from this issue may be reproduced and/or published by print, photoprint...Availability Codes Dist Special 5 Report No.: IZF 1989-36 Title: Navigation in unfamiliar cities: a review of the literature and a theoretical framework Author... theoretical framework sketched above suggests that some people may be better in encoding spatial informa- tion than others. This may be because of their

Attention without intention: explicit processing and implicit goal-setting in family medicine residents' written reflections.

PubMed

Shaughnessy, Allen F; Allen, Lucas; Duggan, Ashley

2017-05-01

Reflection, a process of self-analysis to promote learning through better understanding of one's experiences, is often used to assess learners' metacognitive ability. However, writing reflective exercises, not submitted for assessment, may allow learners to explore their experiences and indicate learning and professional growth without explicitly connecting to intentional sense-making. To identify core components of learning about medicine or medical education from family medicine residents' written reflections. Family medicine residents' wrote reflections about their experiences throughout an academic year. Qualitative thematic analysis to identify core components in 767 reflections written by 33 residents. We identified four themes of learning: 'Elaborated reporting' and 'metacognitive monitoring' represent explicit, purposeful self-analysis that typically would be characterised as reflective learning about medicine. 'Simple reporting' and 'goal setting' signal an analysis of experience that indicates learning and professional growth but that is overlooked as a component of learning. Identified themes elucidate the explicit and implicit forms of written reflection as sense-making and learning. An expanded theoretical understanding of reflection as inclusive of conscious sense-making as well as implicit discovery better enables the art of physician self-development.

Using experimental studies and theoretical calculations to analyze the molecular mechanism of coumarin, p-hydroxybenzoic acid, and cinnamic acid

NASA Astrophysics Data System (ADS)

Hsieh, Tiane-Jye; Su, Chia-Ching; Chen, Chung-Yi; Liou, Chyong-Huey; Lu, Li-Hwa

2005-05-01

Three natural products, Coumarin ( 1), p-hydroxybenzoic acid ( 2), trans-cinnamic acid ( 3) were isolated from the natural plant of indigenous cinnamon and the structures including relative stereochemistry were elucidated on the basis of spectroscopic data and theoretical calculations. Their sterochemical structures were determined by NMR spectroscopy, mass spectroscopy, and X-ray crystallography. The p-hydroxybenzoic acid complex with water is reported to show the existence of two hydrogen bonds. The two hydrogen bonds are formed in the water molecule of two hydrogen-accepting oxygen of carbonyl group of the p-hydroxybenzoic acid. The intermolecular interaction two hydrogen bond of the model system of the water- p-hydroxybenzoic acid was investigated. An experimental study and a theoretical analysis using the B3LYP/6-31G* method in the GAUSSIAN-03 package program were conducted on the three natural products. The theoretical results are supplemented by experimental data. Optimal geometric structures of three compounds were also determined. The calculated molecular mechanics compared quite well with those obtained from the experimental data. The ionization potentials, highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy, energy gaps, heat of formation, atomization energies, and vibration frequencies of the compounds were also calculated. The results of the calculations show that three natural products are stable molecules with high reactive and various other physical properties. The study also provided an explicit understanding of the sterochemical structure and thermodynamic properties of the three natural products.