Sample records for coupled analysis procedure

  1. An unconditionally stable staggered algorithm for transient finite element analysis of coupled thermoelastic problems

    NASA Technical Reports Server (NTRS)

    Farhat, C.; Park, K. C.; Dubois-Pelerin, Y.

    1991-01-01

    An unconditionally stable second order accurate implicit-implicit staggered procedure for the finite element solution of fully coupled thermoelasticity transient problems is proposed. The procedure is stabilized with a semi-algebraic augmentation technique. A comparative cost analysis reveals the superiority of the proposed computational strategy to other conventional staggered procedures. Numerical examples of one and two-dimensional thermomechanical coupled problems demonstrate the accuracy of the proposed numerical solution algorithm.

  2. Finite element procedures for coupled linear analysis of heat transfer, fluid and solid mechanics

    NASA Technical Reports Server (NTRS)

    Sutjahjo, Edhi; Chamis, Christos C.

    1993-01-01

    Coupled finite element formulations for fluid mechanics, heat transfer, and solid mechanics are derived from the conservation laws for energy, mass, and momentum. To model the physics of interactions among the participating disciplines, the linearized equations are coupled by combining domain and boundary coupling procedures. Iterative numerical solution strategy is presented to solve the equations, with the partitioning of temporal discretization implemented.

  3. Ground resonance analysis using a substructure modeling approach

    NASA Technical Reports Server (NTRS)

    Chen, S.-Y.; Berman, A.; Austin, E. E.

    1984-01-01

    A convenient and versatile procedure for modeling and analyzing ground resonance phenomena is described and illustrated. A computer program is used which dynamically couples differential equations with nonlinear and time dependent coefficients. Each set of differential equations may represent a component such as a rotor, fuselage, landing gear, or a failed damper. Arbitrary combinations of such components may be formulated into a model of a system. When the coupled equations are formed, a procedure is executed which uses a Floquet analysis to determine the stability of the system. Illustrations of the use of the procedures along with the numerical examples are presented.

  4. Ground resonance analysis using a substructure modeling approach

    NASA Technical Reports Server (NTRS)

    Chen, S. Y.; Austin, E. E.; Berman, A.

    1985-01-01

    A convenient and versatile procedure for modeling and analyzing ground resonance phenomena is described and illustrated. A computer program is used which dynamically couples differential equations with nonlinear and time dependent coefficients. Each set of differential equations may represent a component such as a rotor, fuselage, landing gear, or a failed damper. Arbitrary combinations of such components may be formulated into a model of a system. When the coupled equations are formed, a procedure is executed which uses a Floquet analysis to determine the stability of the system. Illustrations of the use of the procedures along with the numerical examples are presented.

  5. Behavior Analysis of Forgiveness in Couples Therapy

    ERIC Educational Resources Information Center

    Cordova, James; Cautilli, Joseph; Simon, Corrina; Sabag, Robin Axelrod

    2006-01-01

    Behavioral couples' therapy has a long history of success with couples and is an empirically validated treatment for marital discord (Task Force on Promotion and Dissemination of Psychological Procedures, 1995). However, only about 50% of all couples in treatment experience long-term change (2 years). One of the founders of behavioral couples'…

  6. A CFD/CSD Interaction Methodology for Aircraft Wings

    NASA Technical Reports Server (NTRS)

    Bhardwaj, Manoj K.

    1997-01-01

    With advanced subsonic transports and military aircraft operating in the transonic regime, it is becoming important to determine the effects of the coupling between aerodynamic loads and elastic forces. Since aeroelastic effects can contribute significantly to the design of these aircraft, there is a strong need in the aerospace industry to predict these aero-structure interactions computationally. To perform static aeroelastic analysis in the transonic regime, high fidelity computational fluid dynamics (CFD) analysis tools must be used in conjunction with high fidelity computational structural fluid dynamics (CSD) analysis tools due to the nonlinear behavior of the aerodynamics in the transonic regime. There is also a need to be able to use a wide variety of CFD and CSD tools to predict these aeroelastic effects in the transonic regime. Because source codes are not always available, it is necessary to couple the CFD and CSD codes without alteration of the source codes. In this study, an aeroelastic coupling procedure is developed which will perform static aeroelastic analysis using any CFD and CSD code with little code integration. The aeroelastic coupling procedure is demonstrated on an F/A-18 Stabilator using NASTD (an in-house McDonnell Douglas CFD code) and NASTRAN. In addition, the Aeroelastic Research Wing (ARW-2) is used for demonstration of the aeroelastic coupling procedure by using ENSAERO (NASA Ames Research Center CFD code) and a finite element wing-box code (developed as part of this research).

  7. VACUUM DISTILLATION COUPLED WITH GAS CHROMATOGRAPHY/MASS SPECTROMETRY FOR THE ANALYSIS OF ENVIRONMENTAL SAMPLES

    EPA Science Inventory

    A procedure is presented that uses a vacuum distillation/gas chromatography/mass spectrometry system for analysis of problematic matrices of volatile organic compounds. The procedure compensates for matrix effects and provides both analytical results and confidence intervals from...

  8. Decision for disclosure: The experiences of Iranian infertile couples undergoing assisted reproductive donation procedures.

    PubMed

    Hadizadeh-Talasaz, Fatemeh; Roudsari, Robab Latifnejad; Simbar, Masoumeh

    2015-01-01

    Controversy surrounding disclosure among the recipients of assisted reproductive donation procedures is escalating worldwide, but little research has been conducted in this topic. The purpose of this qualitative study was to explore the experiences of infertile couples undergoing assisted reproductive donation procedures. In this exploratory qualitative study, 32 patients (nine couples and 14 women) who were candidates to use donor eggs, donor embryos or surrogacy, and 5 members of infertility treatment team including gynaecologists, midwives and psychologist (total 37) were purposively selected from the Montaserieh Infertility Research Centre at Mashhad, Iran in 2012 and interviewed using a semi-structured in-depth method. Data were analysed using conventional qualitative content analysis with MAXqda software. One overarching theme, entitled 'experiencing uncertainty surrounding the disclosure to others' was identified from the data. This theme contained two subthemes including 'Couples' decisions to not disclose to others' and 'Couples' decisions to disclose to others'. Five categories formed the first subtheme, and the second subtheme emerged from four categories which are discussed in this paper. The main reason for secrecy was concern over societal negative views about assisted reproductive donation procedures. This worry deprived the couples from support from family and friends and as a result requires them to tolerate psychological pressure when using such procedures.

  9. Constructing Matching Texts in Two Languages: The Application of Propositional Analysis.

    ERIC Educational Resources Information Center

    Valdes, Guadalupe; And Others

    1984-01-01

    Discusses how current procedures for selecting/constructing equivalent texts may lead to error because of their specific limitations; proposes the utilization of micro-propositional analysis coupled with word-frequency lists and readability formulas for constructing "matching" texts; presents some procedures which researchers working in…

  10. An integrated optimum design approach for high speed prop rotors

    NASA Technical Reports Server (NTRS)

    Chattopadhyay, Aditi; Mccarthy, Thomas R.

    1995-01-01

    The objective is to develop an optimization procedure for high-speed and civil tilt-rotors by coupling all of the necessary disciplines within a closed-loop optimization procedure. Both simplified and comprehensive analysis codes are used for the aerodynamic analyses. The structural properties are calculated using in-house developed algorithms for both isotropic and composite box beam sections. There are four major objectives of this study. (1) Aerodynamic optimization: The effects of blade aerodynamic characteristics on cruise and hover performance of prop-rotor aircraft are investigated using the classical blade element momentum approach with corrections for the high lift capability of rotors/propellers. (2) Coupled aerodynamic/structures optimization: A multilevel hybrid optimization technique is developed for the design of prop-rotor aircraft. The design problem is decomposed into a level for improved aerodynamics with continuous design variables and a level with discrete variables to investigate composite tailoring. The aerodynamic analysis is based on that developed in objective 1 and the structural analysis is performed using an in-house code which models a composite box beam. The results are compared to both a reference rotor and the optimum rotor found in the purely aerodynamic formulation. (3) Multipoint optimization: The multilevel optimization procedure of objective 2 is extended to a multipoint design problem. Hover, cruise, and take-off are the three flight conditions simultaneously maximized. (4) Coupled rotor/wing optimization: Using the comprehensive rotary wing code CAMRAD, an optimization procedure is developed for the coupled rotor/wing performance in high speed tilt-rotor aircraft. The developed procedure contains design variables which define the rotor and wing planforms.

  11. Gas chromatography--inductively coupled plasma--time-of-flight mass spectrometry for the speciation analysis of organolead compounds in environmental water samples.

    PubMed

    Heisterkamp, M; Adams, F C

    2001-07-01

    The application of inductively coupled plasma--time-of-flight mass spectrometry for the speciation analysis of organolead compounds in environmental waters is described. Construction of the transfer line was achieved by means of a relatively simple and rapid coupling procedure. Derivatization of the ionic lead species was achieved by in-situ propylation with sodium tetrapropylborate; simultaneous extraction of the derivatized compounds in hexane was followed by separation and detection by capillary gas chromatography hyphenated to inductively coupled plasma-time-of-flight mass spectrometry. Detection limits for the different organolead species ranged from 10 to 15 fg (as Pb), corresponding to procedural detection limits between 50 and 75 ng L(-1), on the basis of a 50 mL snow sample, extraction with 200 microL hexane, and subsequent injection of 1 microL of the organic extract on to the column. The accuracy of the system was confirmed by additional analysis of the water samples by capillary gas chromatography coupled with microwave-induced plasma-atomic-emission spectrometry and the analysis of a standard reference material CRM 605 (road dust) with a certified content of trimethyllead.

  12. Global Warming Estimation From Microwave Sounding Unit

    NASA Technical Reports Server (NTRS)

    Prabhakara, C.; Iacovazzi, R., Jr.; Yoo, J.-M.; Dalu, G.

    1998-01-01

    Microwave Sounding Unit (MSU) Ch 2 data sets, collected from sequential, polar-orbiting, Sun-synchronous National Oceanic and Atmospheric Administration operational satellites, contain systematic calibration errors that are coupled to the diurnal temperature cycle over the globe. Since these coupled errors in MSU data differ between successive satellites, it is necessary to make compensatory adjustments to these multisatellite data sets in order to determine long-term global temperature change. With the aid of the observations during overlapping periods of successive satellites, we can determine such adjustments and use them to account for the coupled errors in the long-term time series of MSU Ch 2 global temperature. In turn, these adjusted MSU Ch 2 data sets can be used to yield global temperature trend. In a pioneering study, Spencer and Christy (SC) (1990) developed a procedure to derive the global temperature trend from MSU Ch 2 data. Such a procedure can leave unaccounted residual errors in the time series of the temperature anomalies deduced by SC, which could lead to a spurious long-term temperature trend derived from their analysis. In the present study, we have developed a method that avoids the shortcomings of the SC procedure, the magnitude of the coupled errors is not determined explicitly. Furthermore, based on some assumptions, these coupled errors are eliminated in three separate steps. Such a procedure can leave unaccounted residual errors in the time series of the temperature anomalies deduced by SC, which could lead to a spurious long-term temperature trend derived from their analysis. In the present study, we have developed a method that avoids the shortcomings of the SC procedures. Based on our analysis, we find there is a global warming of 0.23+/-0.12 K between 1980 and 1991. Also, in this study, the time series of global temperature anomalies constructed by removing the global mean annual temperature cycle compares favorably with a similar time series obtained from conventional observations of temperature.

  13. Glycan profiling of monoclonal antibodies using zwitterionic-type hydrophilic interaction chromatography coupled with electrospray ionization mass spectrometry detection.

    PubMed

    Mauko, Lea; Nordborg, Anna; Hutchinson, Joseph P; Lacher, Nathan A; Hilder, Emily F; Haddad, Paul R

    2011-01-15

    We present a new method for the analysis of glycans enzymatically released from monoclonal antibodies (MAbs) employing a zwitterionic-type hydrophilic interaction chromatography (ZIC-HILIC) column coupled with electrospray ionization mass spectrometry (ESI-MS). Both native and reduced glycans were analyzed, and the developed procedure was compared with a standard HILIC procedure used in the pharmaceutical industry whereby fluorescent-labeled glycans are analyzed using a TSK Amide-80 column coupled with fluorescence detection. The separation of isobaric alditol oligosaccharides present in monoclonal antibodies and ribonuclease B is demonstrated, and ZIC-HILIC is shown to have good capability for structural recognition. Glycan profiles obtained with the ZIC-HILIC column and ESI-MS provided detailed information on MAb glycosylation, including identification of some less abundant glycan species, and are consistent with the profiles generated with the standard procedure. This new ZIC-HILIC method offers a simpler and faster approach for glycosylation analysis of therapeutic antibodies. Copyright © 2010 Elsevier Inc. All rights reserved.

  14. High-performance parallel analysis of coupled problems for aircraft propulsion

    NASA Technical Reports Server (NTRS)

    Felippa, C. A.; Farhat, C.; Lanteri, S.; Gumaste, U.; Ronaghi, M.

    1994-01-01

    Applications are described of high-performance parallel, computation for the analysis of complete jet engines, considering its multi-discipline coupled problem. The coupled problem involves interaction of structures with gas dynamics, heat conduction and heat transfer in aircraft engines. The methodology issues addressed include: consistent discrete formulation of coupled problems with emphasis on coupling phenomena; effect of partitioning strategies, augmentation and temporal solution procedures; sensitivity of response to problem parameters; and methods for interfacing multiscale discretizations in different single fields. The computer implementation issues addressed include: parallel treatment of coupled systems; domain decomposition and mesh partitioning strategies; data representation in object-oriented form and mapping to hardware driven representation, and tradeoff studies between partitioning schemes and fully coupled treatment.

  15. Coupled rotor/airframe vibration analysis program manual manual. Volume 1: User's and programmer's instructions

    NASA Technical Reports Server (NTRS)

    Cassarino, S.; Sopher, R.

    1982-01-01

    user instruction and software descriptions for the base program of the coupled rotor/airframe vibration analysis are provided. The functional capabilities and procedures for running the program are provided. Interfaces with external programs are discussed. The procedure of synthesizing a dynamic system and the various solution methods are described. Input data and output results are presented. Detailed information is provided on the program structure. Sample test case results for five representative dynamic configurations are provided and discussed. System response are plotted to demonstrate the plots capabilities available. Instructions to install and execute SIMVIB on the CDC computer system are provided.

  16. Vehicle systems: coupled and interactive dynamics analysis

    NASA Astrophysics Data System (ADS)

    Vantsevich, Vladimir V.

    2014-11-01

    This article formulates a new direction in vehicle dynamics, described as coupled and interactive vehicle system dynamics. Formalised procedures and analysis of case studies are presented. An analytical consideration, which explains the physics of coupled system dynamics and its consequences for dynamics of a vehicle, is given for several sets of systems including: (i) driveline and suspension of a 6×6 truck, (ii) a brake mechanism and a limited slip differential of a drive axle and (iii) a 4×4 vehicle steering system and driveline system. The article introduces a formal procedure to turn coupled system dynamics into interactive dynamics of systems. A new research direction in interactive dynamics of an active steering and a hybrid-electric power transmitting unit is presented and analysed to control power distribution between the drive axles of a 4×4 vehicle. A control strategy integrates energy efficiency and lateral dynamics by decoupling dynamics of the two systems thus forming their interactive dynamics.

  17. SURVEY AND ANALYSIS OF CRACKS ON NATM CONCRETE LINING, AND A STUDY OF THE METHOD TO CONTROL CRACKS GENERATION

    NASA Astrophysics Data System (ADS)

    Takayama, Hirofumi; Masuda, Yasuo; Nakayama, Takashi; Shigeta, Yoshiyuki; Yingyograttanakul, Narentorn; Asakura, Toshihiro

    The concrete linings constructed by NATM often have cracks occurred near the tunnel crown in the longitudinal direction. In the results of the 1/4 scaled model tests, the authors have showed that in order to simulate the mechanism of cracks generation correctly, not only the coupled stress-thermal analysis but also the coupled stress-moisture analysis should be performed in numerical analysis procedures. We survey the strain produced inside of the second lining concrete and the progress of cracks occurred in the real tunnel used at the Shinkansen. And point out that not only the coupled stress-thermal analysis but also the coupled stress-moisture analysis can represent them. Further, we propose a method to control cracks generation, the adjustment of the temperature and the humidity.

  18. Optimization design combined with coupled structural-electrostatic analysis for the electrostatically controlled deployable membrane reflector

    NASA Astrophysics Data System (ADS)

    Liu, Chao; Yang, Guigeng; Zhang, Yiqun

    2015-01-01

    The electrostatically controlled deployable membrane reflector (ECDMR) is a promising scheme to construct large size and high precision space deployable reflector antennas. This paper presents a novel design method for the large size and small F/D ECDMR considering the coupled structure-electrostatic problem. First, the fully coupled structural-electrostatic system is described by a three field formulation, in which the structure and passive electrical field is modeled by finite element method, and the deformation of the electrostatic domain is predicted by a finite element formulation of a fictitious elastic structure. A residual formulation of the structural-electrostatic field finite element model is established and solved by Newton-Raphson method. The coupled structural-electrostatic analysis procedure is summarized. Then, with the aid of this coupled analysis procedure, an integrated optimization method of membrane shape accuracy and stress uniformity is proposed, which is divided into inner and outer iterative loops. The initial state of relatively high shape accuracy and uniform stress distribution is achieved by applying the uniform prestress on the membrane design shape and optimizing the voltages, in which the optimal voltage is computed by a sensitivity analysis. The shape accuracy is further improved by the iterative prestress modification using the reposition balance method. Finally, the results of the uncoupled and coupled methods are compared and the proposed optimization method is applied to design an ECDMR. The results validate the effectiveness of this proposed methods.

  19. Minimally-invasive Laser Ablation Inductively Coupled Plasma Mass Spectrometry analysis of model ancient copper alloys

    NASA Astrophysics Data System (ADS)

    Walaszek, Damian; Senn, Marianne; Wichser, Adrian; Faller, Markus; Wagner, Barbara; Bulska, Ewa; Ulrich, Andrea

    2014-09-01

    This work describes an evaluation of a strategy for multi-elemental analysis of typical ancient bronzes (copper, lead bronze and tin bronze) by means of laser ablation inductively coupled plasma mass spectrometry (LA-ICPMS).The samples originating from archeological experiments on ancient metal smelting processes using direct reduction in a ‘bloomery’ furnace as well as historical casting techniques were investigated with the use of the previously proposed analytical procedure, including metallurgical observation and preliminary visual estimation of the homogeneity of the samples. The results of LA-ICPMS analysis were compared to the results of bulk composition obtained by X-ray fluorescence spectrometry (XRF) and by inductively coupled plasma mass spectrometry (ICPMS) after acid digestion. These results were coherent for most of the elements confirming the usefulness of the proposed analytical procedure, however the reliability of the quantitative information about the content of the most heterogeneously distributed elements was also discussed in more detail.

  20. Efficient sensitivity analysis and optimization of a helicopter rotor

    NASA Technical Reports Server (NTRS)

    Lim, Joon W.; Chopra, Inderjit

    1989-01-01

    Aeroelastic optimization of a system essentially consists of the determination of the optimum values of design variables which minimize the objective function and satisfy certain aeroelastic and geometric constraints. The process of aeroelastic optimization analysis is illustrated. To carry out aeroelastic optimization effectively, one needs a reliable analysis procedure to determine steady response and stability of a rotor system in forward flight. The rotor dynamic analysis used in the present study developed inhouse at the University of Maryland is based on finite elements in space and time. The analysis consists of two major phases: vehicle trim and rotor steady response (coupled trim analysis), and aeroelastic stability of the blade. For a reduction of helicopter vibration, the optimization process requires the sensitivity derivatives of the objective function and aeroelastic stability constraints. For this, the derivatives of steady response, hub loads and blade stability roots are calculated using a direct analytical approach. An automated optimization procedure is developed by coupling the rotor dynamic analysis, design sensitivity analysis and constrained optimization code CONMIN.

  1. Multi-disciplinary coupling effects for integrated design of propulsion systems

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.; Singhal, S. N.

    1993-01-01

    Effective computational simulation procedures are described for modeling the inherent multi-disciplinary interactions which govern the accurate response of propulsion systems. Results are presented for propulsion system responses including multi-disciplinary coupling effects using coupled multi-discipline thermal, structural, and acoustic tailoring; an integrated system of multi-disciplinary simulators; coupled material behavior/fabrication process tailoring; sensitivities using a probabilistic simulator; and coupled materials, structures, fracture, and probabilistic behavior simulator. The results demonstrate that superior designs can be achieved if the analysis/tailoring methods account for the multi-disciplinary coupling effects. The coupling across disciplines can be used to develop an integrated coupled multi-discipline numerical propulsion system simulator.

  2. Methodologies for launcher-payload coupled dynamic analysis

    NASA Astrophysics Data System (ADS)

    Fransen, S. H. J. A.

    2012-06-01

    An important step in the design and verification process of spacecraft structures is the coupled dynamic analysis with the launch vehicle in the low-frequency domain, also referred to as coupled loads analysis (CLA). The objective of such analyses is the computation of the dynamic environment of the spacecraft (payload) in terms of interface accelerations, interface forces, center of gravity (CoG) accelerations as well as the internal state of stress. In order to perform an efficient, fast and accurate launcher-payload coupled dynamic analysis, various methodologies have been applied and developed. The methods are related to substructuring techniques, data recovery techniques, the effects of prestress and fluids and time integration problems. The aim of this paper was to give an overview of these methodologies and to show why, how and where these techniques can be used in the process of launcher-payload coupled dynamic analysis. In addition, it will be shown how these methodologies fit together in a library of procedures which can be used with the MSC.Nastran™ solution sequences.

  3. High-performance parallel analysis of coupled problems for aircraft propulsion

    NASA Technical Reports Server (NTRS)

    Felippa, C. A.; Farhat, C.; Lanteri, S.; Maman, N.; Piperno, S.; Gumaste, U.

    1994-01-01

    This research program deals with the application of high-performance computing methods for the analysis of complete jet engines. We have entitled this program by applying the two dimensional parallel aeroelastic codes to the interior gas flow problem of a bypass jet engine. The fluid mesh generation, domain decomposition, and solution capabilities were successfully tested. We then focused attention on methodology for the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion that results from these structural displacements. This is treated by a new arbitrary Lagrangian-Eulerian (ALE) technique that models the fluid mesh motion as that of a fictitious mass-spring network. New partitioned analysis procedures to treat this coupled three-component problem are developed. These procedures involved delayed corrections and subcycling. Preliminary results on the stability, accuracy, and MPP computational efficiency are reported.

  4. Optimum Design of High-Speed Prop-Rotors

    NASA Technical Reports Server (NTRS)

    Chattopadhyay, Aditi; McCarthy, Thomas Robert

    1993-01-01

    An integrated multidisciplinary optimization procedure is developed for application to rotary wing aircraft design. The necessary disciplines such as dynamics, aerodynamics, aeroelasticity, and structures are coupled within a closed-loop optimization process. The procedure developed is applied to address two different problems. The first problem considers the optimization of a helicopter rotor blade and the second problem addresses the optimum design of a high-speed tilting proprotor. In the helicopter blade problem, the objective is to reduce the critical vibratory shear forces and moments at the blade root, without degrading rotor aerodynamic performance and aeroelastic stability. In the case of the high-speed proprotor, the goal is to maximize the propulsive efficiency in high-speed cruise without deteriorating the aeroelastic stability in cruise and the aerodynamic performance in hover. The problems studied involve multiple design objectives; therefore, the optimization problems are formulated using multiobjective design procedures. A comprehensive helicopter analysis code is used for the rotary wing aerodynamic, dynamic and aeroelastic stability analyses and an algorithm developed specifically for these purposes is used for the structural analysis. A nonlinear programming technique coupled with an approximate analysis procedure is used to perform the optimization. The optimum blade designs obtained in each case are compared to corresponding reference designs.

  5. Multi-disciplinary coupling for integrated design of propulsion systems

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.; Singhal, S. N.

    1993-01-01

    Effective computational simulation procedures are described for modeling the inherent multi-disciplinary interactions for determining the true response of propulsion systems. Results are presented for propulsion system responses including multi-discipline coupling effects via (1) coupled multi-discipline tailoring, (2) an integrated system of multidisciplinary simulators, (3) coupled material-behavior/fabrication-process tailoring, (4) sensitivities using a probabilistic simulator, and (5) coupled materials/structures/fracture/probabilistic behavior simulator. The results show that the best designs can be determined if the analysis/tailoring methods account for the multi-disciplinary coupling effects. The coupling across disciplines can be used to develop an integrated interactive multi-discipline numerical propulsion system simulator.

  6. The Shock and Vibration Bulletin. Part 1. Welcome, Keynote Address, Invited Papers, Pyrotechnic Shock, and Shock Testing and Analysis

    DTIC Science & Technology

    1983-05-01

    DESIGN PROCEDURE M. S. IIAndal, University of Vermont, Burlington, VT Machinery Dynamics ANALYTICAL AND EXPERIMENTAL INVESTIGATION OF ROTATING BLADE... methodology to accurately predict rotor vibratory loads and has recently been initiated for detail design and bench test- coupled rotor/airframe vibrations... design methodology , a trating on the basic disciplines of aerodynamics and struc. coupled rotor/airframe vibration analysis has been developed. tural

  7. A novel potential/viscous flow coupling technique for computing helicopter flow fields

    NASA Technical Reports Server (NTRS)

    Summa, J. Michael; Strash, Daniel J.; Yoo, Sungyul

    1990-01-01

    Because of the complexity of helicopter flow field, a zonal method of analysis of computational aerodynamics is required. Here, a new procedure for coupling potential and viscous flow is proposed. An overlapping, velocity coupling technique is to be developed with the unique feature that the potential flow surface singularity strengths are obtained directly from the Navier-Stokes at a smoother inner fluid boundary. The closed-loop iteration method proceeds until the velocity field is converged. This coupling should provide the means of more accurate viscous computations of the near-body and rotor flow fields with resultant improved analysis of such important performance parameters as helicopter fuselage drag and rotor airloads.

  8. On the use of attachment modes in substructure coupling for dynamic analysis

    NASA Technical Reports Server (NTRS)

    Craig, R. R., Jr.; Chang, C.-J.

    1977-01-01

    Substructure coupling or component-mode synthesis may be employed in the solution of dynamics problems for complex structures. Although numerous substructure-coupling methods have been devised, little attention has been devoted to methods employing attachment modes. In the present paper the various mode sets (normal modes, constraint modes, attachment modes) are defined. A generalized substructure-coupling procedure is described. Those substructure-coupling methods which employ attachment modes are described in detail. One of these methods is shown to lead to results (e.g., system natural frequencies) comparable to or better than those obtained by the Hurty (1965) method.

  9. Analysis of the aflatoxin AFB1 from corn by direct analysis in real time - mass spectrometry (DART-MS)

    USDA-ARS?s Scientific Manuscript database

    Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of aflatoxins extracted from corn. Sample preparation procedure and instrument parameter settings wer...

  10. Modeling Woven Polymer Matrix Composites with MAC/GMC

    NASA Technical Reports Server (NTRS)

    Bednarcyk, Brett A.; Arnold, Steven M. (Technical Monitor)

    2000-01-01

    NASA's Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC) is used to predict the elastic properties of plain weave polymer matrix composites (PMCs). The traditional one step three-dimensional homogertization procedure that has been used in conjunction with MAC/GMC for modeling woven composites in the past is inaccurate due to the lack of shear coupling inherent to the model. However, by performing a two step homogenization procedure in which the woven composite repeating unit cell is homogenized independently in the through-thickness direction prior to homogenization in the plane of the weave, MAC/GMC can now accurately model woven PMCs. This two step procedure is outlined and implemented, and predictions are compared with results from the traditional one step approach and other models and experiments from the literature. Full coupling of this two step technique with MAC/ GMC will result in a widely applicable, efficient, and accurate tool for the design and analysis of woven composite materials and structures.

  11. Pedagogical Implications in the Thermal Analysis of Uniform Annular Fins: Alternative Analytic Solutions by Series.

    ERIC Educational Resources Information Center

    Campo, Antonio; Rodriguez, Franklin

    1998-01-01

    Presents two alternative computational procedures for solving the modified Bessel equation of zero order: the Frobenius method, and the power series method coupled with a curve fit. Students in heat transfer courses can benefit from these alternative procedures; a course on ordinary differential equations is the only mathematical background that…

  12. Flood analysis in mixed-urban areas reflecting interactions with the complete water cycle through coupled hydrologic-hydraulic modelling.

    PubMed

    Sto Domingo, N D; Refsgaard, A; Mark, O; Paludan, B

    2010-01-01

    The potential devastating effects of urban flooding have given high importance to thorough understanding and management of water movement within catchments, and computer modelling tools have found widespread use for this purpose. The state-of-the-art in urban flood modelling is the use of a coupled 1D pipe and 2D overland flow model to simultaneously represent pipe and surface flows. This method has been found to be accurate for highly paved areas, but inappropriate when land hydrology is important. The objectives of this study are to introduce a new urban flood modelling procedure that is able to reflect system interactions with hydrology, verify that the new procedure operates well, and underline the importance of considering the complete water cycle in urban flood analysis. A physically-based and distributed hydrological model was linked to a drainage network model for urban flood analysis, and the essential components and concepts used were described in this study. The procedure was then applied to a catchment previously modelled with the traditional 1D-2D procedure to determine if the new method performs similarly well. Then, results from applying the new method in a mixed-urban area were analyzed to determine how important hydrologic contributions are to flooding in the area.

  13. Evolution of cardiorespiratory interactions with age

    PubMed Central

    Iatsenko, D.; Bernjak, A.; Stankovski, T.; Shiogai, Y.; Owen-Lynch, P. J.; Clarkson, P. B. M.; McClintock, P. V. E.; Stefanovska, A.

    2013-01-01

    We describe an analysis of cardiac and respiratory time series recorded from 189 subjects of both genders aged 16–90. By application of the synchrosqueezed wavelet transform, we extract the respiratory and cardiac frequencies and phases with better time resolution than is possible with the marked events procedure. By treating the heart and respiration as coupled oscillators, we then apply a method based on Bayesian inference to find the underlying coupling parameters and their time dependence, deriving from them measures such as synchronization, coupling directionality and the relative contributions of different mechanisms. We report a detailed analysis of the reconstructed cardiorespiratory coupling function, its time evolution and age dependence. We show that the direct and indirect respiratory modulations of the heart rate both decrease with age, and that the cardiorespiratory coupling becomes less stable and more time-variable. PMID:23858485

  14. Evolution of cardiorespiratory interactions with age.

    PubMed

    Iatsenko, D; Bernjak, A; Stankovski, T; Shiogai, Y; Owen-Lynch, P J; Clarkson, P B M; McClintock, P V E; Stefanovska, A

    2013-08-28

    We describe an analysis of cardiac and respiratory time series recorded from 189 subjects of both genders aged 16-90. By application of the synchrosqueezed wavelet transform, we extract the respiratory and cardiac frequencies and phases with better time resolution than is possible with the marked events procedure. By treating the heart and respiration as coupled oscillators, we then apply a method based on Bayesian inference to find the underlying coupling parameters and their time dependence, deriving from them measures such as synchronization, coupling directionality and the relative contributions of different mechanisms. We report a detailed analysis of the reconstructed cardiorespiratory coupling function, its time evolution and age dependence. We show that the direct and indirect respiratory modulations of the heart rate both decrease with age, and that the cardiorespiratory coupling becomes less stable and more time-variable.

  15. Application of inductively coupled plasma sector field mass spectrometry for low-level environmental americium-241 analysis.

    PubMed

    Varga, Zsolt

    2007-03-28

    An improved and novel sample preparation method for (241)Am analysis by inductively coupled plasma sector field mass spectrometry has been developed. The procedure involves a selective CaF(2) pre-concentration followed by an extraction chromatographic separation using TRU resin. The achieved absolute detection limit of 0.86 fg (0.11 mBq) is comparable to that of alpha spectrometry (0.1 mBq) and suitable for low-level environmental measurements. Analysis of different kinds of environmental standard reference materials (IAEA-384--Fangataufa lagoon sediment, IAEA-385--Irish Sea sediment and IAEA-308--Mixed seaweed from the Mediterranean Sea) and alpha spectrometry were used to validate the procedure. The chemical recovery of sample preparation ranged between 72 and 94%. The results obtained are in good agreement with reference values and those measured by alpha spectrometry. The proposed method offers a rapid and less labor-intensive possibility for environmental (241)Am analysis than the conventionally applied radioanalytical techniques.

  16. Sulfur analysis by inductively coupled plasma-mass spectrometry: A review

    NASA Astrophysics Data System (ADS)

    Giner Martínez-Sierra, J.; Galilea San Blas, O.; Marchante Gayón, J. M.; García Alonso, J. I.

    2015-06-01

    In recent years the number of applications of sulfur (S) analysis using inductively coupled plasma mass spectrometry (ICP-MS) as detector has increased significantly. In this article we describe in some depth the application of ICP-MS for S analysis with emphasis placed on the sulfur-specific detection by hyphenated techniques such as LC, GC, CE and LA coupled on-line to ICP-MS. The different approaches available for sulfur isotope ratio measurements by ICP-MS are also detailed. Particular attention has been paid to the quantification of peptides/proteins and the analysis of metallopeptides/metalloproteins via sulfur by LC-ICP-MS. Likewise, the speciation analysis of metal-based pharmaceuticals and metallodrugs and non-metal selective detection of pharmaceuticals via S are highlighted. Labeling procedures for metabolic applications are also included. Finally, the measurement of natural variations in S isotope composition with multicollector ICP-MS instruments is also covered in this review.

  17. Determination of the aflatoxin AFB1 from corn by direct analysis in real time-mass spectrometry (DART-MS)

    USDA-ARS?s Scientific Manuscript database

    Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument...

  18. Determination of T-2 and HT-2 toxins from maize by direct analysis in real time mass spectrometry

    USDA-ARS?s Scientific Manuscript database

    Direct analysis in real time (DART) ionization coupled to mass spectrometry (MS) was used for the rapid quantitative analysis of T-2 toxin, and the related HT-2 toxin, extracted from corn. Sample preparation procedures and instrument parameters were optimized to obtain sensitive and accurate determi...

  19. Preparation And Analysis Of Specimens Of Ablative Materials

    NASA Technical Reports Server (NTRS)

    Solomon, William C.

    1994-01-01

    Procedure for chemical analysis of specimens of silicone-based ablative thermal-insulation materials SLA-561 and MA25 involves acid digestion of specimens to prepare them for analysis by inductively-coupled-plasma/atomic-emission spectroscopy (ICP/AES). In comparison with atomic-absorption spectroscopy (AAS), ICP/AES is faster and more accurate than AAS. Results of analyses stored in data base, used to trace variations in concentrations of chemical elements in materials during long-term storage, and used in timely manner in investigations of failures. Acid-digestion portion of procedure applied to other thermal-insulation materials containing room-temperature-vulcanizing silicones and enables instrumental analysis of these materials.

  20. Delay-dependent coupling for a multi-agent LTI consensus system with inter-agent delays

    NASA Astrophysics Data System (ADS)

    Qiao, Wei; Sipahi, Rifat

    2014-01-01

    Delay-dependent coupling (DDC) is considered in this paper in a broadly studied linear time-invariant multi-agent consensus system in which agents communicate with each other under homogeneous delays, while attempting to reach consensus. The coupling among the agents is designed here as an explicit parameter of this delay, allowing couplings to autonomously adapt based on the delay value, and in order to guarantee stability and a certain degree of robustness in the network despite the destabilizing effect of delay. Design procedures, analysis of convergence speed of consensus, comprehensive numerical studies for the case of time-varying delay, and limitations are presented.

  1. Partial microwave-assisted wet digestion of animal tissue using a baby-bottle sterilizer for analyte determination by inductively coupled plasma optical emission spectrometry

    NASA Astrophysics Data System (ADS)

    Matos, Wladiana O.; Menezes, Eveline A.; Gonzalez, Mário H.; Costa, Letícia M.; Trevizan, Lilian C.; Nogueira, Ana Rita A.

    2009-06-01

    A procedure for partial digestion of bovine tissue is proposed using polytetrafluoroethylene (PTFE) micro-vessels inside a baby-bottle sterilizer under microwave radiation for multi-element determination by inductively coupled plasma optical emission spectrometry (ICP OES). Samples were directly weighed in laboratory-made polytetrafluoroethylene vessels. Nitric acid and hydrogen peroxide were added to the uncovered vessels, which were positioned inside the baby-bottle sterilizer, containing 500 mL of water. The hydrogen peroxide volume was fixed at 100 µL. The system was placed in a domestic microwave oven and partial digestion was carried out for the determination of Ca, Cu, Fe, Mg, Mn and Zn by inductively coupled plasma optical emission spectrometry. The single-vessel approach was used in the entire procedure, to minimize contamination in trace analysis. Better recoveries and lower residual carbon content (RCC) levels were obtained under the conditions established through a 2 4-1 fractional factorial design: 650 W microwave power, 7 min digestion time, 50 µL nitric acid and 50 mg sample mass. The digestion efficiency was ascertained according to the residual carbon content determined by inductively coupled plasma optical emission spectrometry. The accuracy of the proposed procedure was checked against two certified reference materials.

  2. Quantitative bioanalysis of strontium in human serum by inductively coupled plasma-mass spectrometry

    PubMed Central

    Somarouthu, Srikanth; Ohh, Jayoung; Shaked, Jonathan; Cunico, Robert L; Yakatan, Gerald; Corritori, Suzana; Tami, Joe; Foehr, Erik D

    2015-01-01

    Aim: A bioanalytical method using inductively-coupled plasma-mass spectrometry to measure endogenous levels of strontium in human serum was developed and validated. Results & methodology: This article details the experimental procedures used for the method development and validation thus demonstrating the application of the inductively-coupled plasma-mass spectrometry method for quantification of strontium in human serum samples. The assay was validated for specificity, linearity, accuracy, precision, recovery and stability. Significant endogenous levels of strontium are present in human serum samples ranging from 19 to 96 ng/ml with a mean of 34.6 ± 15.2 ng/ml (SD). Discussion & conclusion: Calibration procedures and sample pretreatment were simplified for high throughput analysis. The validation demonstrates that the method was sensitive, selective for quantification of strontium (88Sr) and is suitable for routine clinical testing of strontium in human serum samples. PMID:28031925

  3. Differences in metabolite profiles caused by pre-analytical blood processing procedures.

    PubMed

    Nishiumi, Shin; Suzuki, Makoto; Kobayashi, Takashi; Yoshida, Masaru

    2018-05-01

    Recently, the use of metabolomic analysis of human serum and plasma for biomarker discovery and disease diagnosis in clinical studies has been increasing. The feasibility of using a metabolite biomarker for disease diagnosis is strongly dependent on the metabolite's stability during pre-analytical blood processing procedures, such as serum or plasma sampling and sample storage prior to centrifugation. However, the influence of blood processing procedures on the stability of metabolites has not been fully characterized. In the present study, we compared the levels of metabolites in matched human serum and plasma samples using gas chromatography coupled with mass spectrometry and liquid chromatography coupled with mass spectrometry. In addition, we evaluated the changes in plasma metabolite levels induced by storage at room temperature or at a cold temperature prior to centrifugation. As a result, it was found that 76 metabolites exhibited significant differences between their serum and plasma levels. Furthermore, the pre-centrifugation storage conditions significantly affected the plasma levels of 45 metabolites. These results highlight the importance of blood processing procedures during metabolome analysis, which should be considered during biomarker discovery and the subsequent use of biomarkers for disease diagnosis. Copyright © 2017 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  4. Analysis of high voltage step-up nonisolated DC-DC boost converters

    NASA Astrophysics Data System (ADS)

    Alisson Alencar Freitas, Antônio; Lessa Tofoli, Fernando; Junior, Edilson Mineiro Sá; Daher, Sergio; Antunes, Fernando Luiz Marcelo

    2016-05-01

    A high voltage step-up nonisolated DC-DC converter based on coupled inductors suitable to photovoltaic (PV) systems applications is proposed in this paper. Considering that numerous approaches exist to extend the voltage conversion ratio of DC-DC converters that do not use transformers, a detailed comparison is also presented among the proposed converter and other popular topologies such as the conventional boost converter and the quadratic boost converter. The qualitative analysis of the coupled-inductor-based topology is developed so that a design procedure can be obtained, from which an experimental prototype is implemented to validate the theoretical assumptions.

  5. Direct analysis of deodorants for determination of metals by inductively coupled plasma optical emission spectrometry.

    PubMed

    da Costa, Wiviane Kássia Oliveira Correia; da Silva, Caroline Santos; Figueiredo, José Fernando Dagnone; Nóbrega, Joaquim Araujo; Paim, Ana Paula Silveira

    2018-06-05

    A fast and simple dilute-and-shoot procedure for determination of Al, As, Ba, Cd, Cu, Fe, Mg, Mn, Ni, Pb, Sc, Ti, V, Zn and Zr in deodorants by inductively coupled plasma optical emission spectrometry (ICP OES) was developed. Sample preparation was carried out by diluting 1 mL of deodorant sample in 1% (v v -1 ) HNO 3 . The accuracy of the analytical procedure was evaluated using addition and recovery experiments, and recoveries ranged from 80 to 119%. The limits of detection varied from 0.001 to 0.76 mg kg -1 . Nine deodorants samples of different brands were analyzed. The maximum concentrations found (mg kg -1 ) were: Fe (1.0), Mn (0.1), Ti (1.02), V (0.33), Zn (255.2) and Zr (0.5); for Al and Mg, determined concentrations varied from 0.01 to 7.0% and from 0.005 to 1.44 mg kg -1 , respectively, showing wide variation depending on the sample type. The developed procedure was adequate for determining these analytes in routine analysis presenting high sample throughput and demonstrated the feasibility of direct analysis measurements after simple dilution step. Copyright © 2018 Elsevier B.V. All rights reserved.

  6. Coupled multi-disciplinary simulation of composite engine structures in propulsion environment

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.; Singhal, Surendra N.

    1992-01-01

    A computational simulation procedure is described for the coupled response of multi-layered multi-material composite engine structural components which are subjected to simultaneous multi-disciplinary thermal, structural, vibration, and acoustic loadings including the effect of hostile environments. The simulation is based on a three dimensional finite element analysis technique in conjunction with structural mechanics codes and with acoustic analysis methods. The composite material behavior is assessed at the various composite scales, i.e., the laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization model. Sample cases exhibiting nonlinear geometrical, material, loading, and environmental behavior of aircraft engine fan blades, are presented. Results for deformed shape, vibration frequency, mode shapes, and acoustic noise emitted from the fan blade, are discussed for their coupled effect in hot and humid environments. Results such as acoustic noise for coupled composite-mechanics/heat transfer/structural/vibration/acoustic analyses demonstrate the effectiveness of coupled multi-disciplinary computational simulation and the various advantages of composite materials compared to metals.

  7. Couple Differentiation: Mediator or Moderator of Depressive Symptoms and Relationship Satisfaction?

    PubMed

    Bartle-Haring, Suzanne; Ferriby, Megan; Day, Randal

    2018-03-09

    The purpose of this investigation was to determine whether differentiation at the couple level would act as a moderator or a mediator in the association between marital satisfaction and depressive symptoms over time. In a sample of 412 couples, a latent profile analysis was performed to determine how couple differentiation scores were clustered. An Actor/Partner Interdependence Model was then estimated via a group comparison procedure in structural equation modeling. There was no evidence of a moderating effect of differentiation. A mediating model was then estimated and there was evidence that differentiation mediated the association between depressive symptoms and relationship satisfaction via actor and partner effects. © 2018 American Association for Marriage and Family Therapy.

  8. Methods of analysis by the U.S. Geological Survey National Water Quality Laboratory; determination of whole-water recoverable arsenic, boron, and vanadium using inductively coupled plasma-mass spectrometry

    USGS Publications Warehouse

    Garbarino, John R.

    2000-01-01

    Analysis of in-bottle digestate by using the inductively coupled plasma?mass spectrometric (ICP?MS) method has been expanded to include arsenic, boron, and vanadium. Whole-water samples are digested by using either the hydrochloric acid in-bottle digestion procedure or the nitric acid in-bottle digestion procedure. When the hydrochloric acid in-bottle digestion procedure is used, chloride must be removed from the digestate by subboiling evaporation before arsenic and vanadium can be accurately determined. Method detection limits for these elements are now 10 to 100 times lower than U.S. Geological Survey (USGS) methods using hydride generation? atomic absorption spectrophotometry (HG? AAS) and inductively coupled plasma? atomic emission spectrometry (ICP?AES), thus providing lower variability at ambient concentrations. The bias and variability of the methods were determined by using results from spike recoveries, standard reference materials, and validation samples. Spike recoveries in reagent-water, surface-water, ground-water, and whole-water recoverable matrices averaged 90 percent for seven replicates; spike recoveries were biased from 25 to 35 percent low for the ground-water matrix because of the abnormally high iron concentration. Results for reference material were within one standard deviation of the most probable value. There was no significant difference between the results from ICP?MS and HG?AAS or ICP?AES methods for the natural whole-water samples that were analyzed.

  9. Principal component analysis of the nonlinear coupling of harmonic modes in heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    BoŻek, Piotr

    2018-03-01

    The principal component analysis of flow correlations in heavy-ion collisions is studied. The correlation matrix of harmonic flow is generalized to correlations involving several different flow vectors. The method can be applied to study the nonlinear coupling between different harmonic modes in a double differential way in transverse momentum or pseudorapidity. The procedure is illustrated with results from the hydrodynamic model applied to Pb + Pb collisions at √{sN N}=2760 GeV. Three examples of generalized correlations matrices in transverse momentum are constructed corresponding to the coupling of v22 and v4, of v2v3 and v5, or of v23,v33 , and v6. The principal component decomposition is applied to the correlation matrices and the dominant modes are calculated.

  10. A triangular thin shell finite element: Nonlinear analysis. [structural analysis

    NASA Technical Reports Server (NTRS)

    Thomas, G. R.; Gallagher, R. H.

    1975-01-01

    Aspects of the formulation of a triangular thin shell finite element which pertain to geometrically nonlinear (small strain, finite displacement) behavior are described. The procedure for solution of the resulting nonlinear algebraic equations combines a one-step incremental (tangent stiffness) approach with one iteration in the Newton-Raphson mode. A method is presented which permits a rational estimation of step size in this procedure. Limit points are calculated by means of a superposition scheme coupled to the incremental side of the solution procedure while bifurcation points are calculated through a process of interpolation of the determinants of the tangent-stiffness matrix. Numerical results are obtained for a flat plate and two curved shell problems and are compared with alternative solutions.

  11. A Finite Element Procedure for Calculating Fluid-Structure Interaction Using MSC/NASTRAN

    NASA Technical Reports Server (NTRS)

    Chargin, Mladen; Gartmeier, Otto

    1990-01-01

    This report is intended to serve two purposes. The first is to present a survey of the theoretical background of the dynamic interaction between a non-viscid, compressible fluid and an elastic structure is presented. Section one presents a short survey of the application of the finite element method (FEM) to the area of fluid-structure-interaction (FSI). Section two describes the mathematical foundation of the structure and fluid with special emphasis on the fluid. The main steps in establishing the finite element (FE) equations for the fluid structure coupling are discussed in section three. The second purpose is to demonstrate the application of MSC/NASTRAN to the solution of FSI problems. Some specific topics, such as fluid structure analogy, acoustic absorption, and acoustic contribution analysis are described in section four. Section five deals with the organization of the acoustic procedure flowchart. Section six includes the most important information that a user needs for applying the acoustic procedure to practical FSI problems. Beginning with some rules concerning the FE modeling of the coupled system, the NASTRAN USER DECKs for the different steps are described. The goal of section seven is to demonstrate the use of the acoustic procedure with some examples. This demonstration includes an analytic verification of selected FE results. The analytical description considers only some aspects of FSI and is not intended to be mathematically complete. Finally, section 8 presents an application of the acoustic procedure to vehicle interior acoustic analysis with selected results.

  12. Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

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

    Soudackov, Alexander; Hammes-Schiffer, Sharon

    2015-11-17

    Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency regimes for the proton donor-acceptor vibrational mode. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term does not significantly impact the rate constants derived using the cumulant expansion approachmore » in any of the regimes studied. The effects of the quadratic term may become significant when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant, however, particularly at high temperatures and for proton transfer interfaces with extremely soft proton donor-acceptor modes that are associated with extraordinarily weak hydrogen bonds. Even with the thermal averaging procedure, the effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances, and the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton transfer and proton-coupled electron transfer in chemical and biological processes. We are grateful for support from National Institutes of Health Grant GM056207 (applications to enzymes) and the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences (applications to molecular electrocatalysts).« less

  13. Cu determination in crude oil distillation products by atomic absorption and inductively coupled plasma mass spectrometry after analyte transfer to aqueous solution

    NASA Astrophysics Data System (ADS)

    Kowalewska, Zofia; Ruszczyńska, Anna; Bulska, Ewa

    2005-03-01

    Cu was determined in a wide range of petroleum products from crude oil distillation using flame atomic absorption spectrometry (FAAS), electrothermal atomic absorption spectrometry (ETAAS) and inductively coupled plasma mass spectrometry (ICP-MS). Different procedures of sample preparation were evaluated: (i) mineralization with sulfuric acid in an open system, (ii) mineralization in a closed microwave system, (iii) combustion in hydrogen-oxygen flame in the Wickbold's apparatus, (iv) matrix evaporation followed by acid dissolution, and (v) acidic extraction. All the above procedures led to the transfer of the analyte into an aqueous solution for the analytical measurement step. It was found that application of FAAS was limited to the analysis of the heaviest petroleum products of high Cu content. In ICP-MS, the use of internal reference method (with Rh or In as internal reference element) was required to eliminate the matrix effects in the analysis of extracts and the concentrated solutions of mineralized heavy petroleum products. The detection limits (in original samples) were equal to, respectively, 10, 86, 3.3, 0.9 and 0.4 ng g - 1 in procedures i-v with ETAAS detection and 10, 78, 1.1 and 0.5 ng g - 1 in procedures i-iii and v with ICP-MS detection. The procedures recommended here were validated by recovery experiments, certified reference materials analysis and comparison of results, obtained for a given sample, in different ways. The Cu content in the analyzed samples was: 50-110 ng g - 1 in crude oil, < 0.4-6 ng g - 1 in gasoline, < 0.5-2 ng g - 1 in atmospheric oil, < 6-100 ng g - 1 in heavy vacuum oil and 140-300 ng g - 1 in distillation residue.

  14. Thermal-hydraulic interfacing code modules for CANDU reactors

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

    Liu, W.S.; Gold, M.; Sills, H.

    1997-07-01

    The approach for CANDU reactor safety analysis in Ontario Hydro Nuclear (OHN) and Atomic Energy of Canada Limited (AECL) is presented. Reflecting the unique characteristics of CANDU reactors, the procedure of coupling the thermal-hydraulics, reactor physics and fuel channel/element codes in the safety analysis is described. The experience generated in the Canadian nuclear industry may be useful to other types of reactors in the areas of reactor safety analysis.

  15. An analysis of the surface-normal coupling efficiency of a metal grating coupler embedded in a Scotch tape optical waveguide

    NASA Astrophysics Data System (ADS)

    Barrios, Carlos Angulo; Canalejas-Tejero, Víctor

    2017-01-01

    The coupling efficiency at normal incidence of recently demonstrated aluminum grating couplers integrated in flexible Scotch tape waveguides has been analyzed theoretically and experimentally. Finite difference time domain (FDTD) and rigorously coupled wave analysis (RCWA) methods have been used to optimize the dimensions (duty cycle and metal thickness) of Scotch tape-embedded 1D Al gratings for maximum coupling at 635 nm wavelength. Good dimension and tape refractive index tolerances are predicted. FDTD simulations reveal the incident beam width and impinging position (alignment) values that avoid rediffraction and thus maximize the coupling efficiency. A 1D Al diffraction grating integrated into a Scotch tape optical waveguide has been fabricated and characterized. The fabrication process, based on pattern transfer, has been optimized to allow complete Al grating transfer onto the Scotch tape waveguide. A maximum coupling efficiency of 20% for TM-polarized normal incidence has been measured, which is in good agreement with the theoretical predictions. The measured coupling efficiency is further increased up to 28% for TM polarization under oblique incidence. Temperature dependence measurements have been also achieved and related to the simulations results and fabrication procedure.

  16. Multielemental analysis in vegetable edible oils by inductively coupled plasma mass spectrometry after solubilisation with tetramethylammonium hydroxide.

    PubMed

    Savio, Marianela; Ortiz, María S; Almeida, César A; Olsina, Roberto A; Martinez, Luis D; Gil, Raúl A

    2014-09-15

    Trace metals have negative effects on the oxidative stability of edible oils and they are important because of possibility for oils characterisation. A single-step procedure for trace elemental analysis of edible oils is presented. To this aim, a solubilisation with tetramethylammonium hydroxide (TMAH) was assayed prior to inductively coupled plasma mass spectrometry detection. Small amounts of TMAH were used, resulting in high elemental concentrations. This method was applied to edible oils commercially available in Argentine. Elements present in small amounts (Cu, Ge, Mn, Mo, Ni, Sb, Sr, Ti, and V) were determined in olive, corn, almond and sunflower oils. The limits of detection were between 0.004 μg g(-1) for Mn and Sr, and 0.32 μg g(-1) for Sb. Principal components analysis was used to correlate the content of trace metals with the type of oils. The two first principal components retained 91.6% of the variability of the system. This is a relatively simple and safe procedure, and could be an attractive alternative for quality control, traceability and routine analysis of edible oils. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. A Procedure for Structural Weight Estimation of Single Stage to Orbit Launch Vehicles (Interim User's Manual)

    NASA Technical Reports Server (NTRS)

    Martinovic, Zoran N.; Cerro, Jeffrey A.

    2002-01-01

    This is an interim user's manual for current procedures used in the Vehicle Analysis Branch at NASA Langley Research Center, Hampton, Virginia, for launch vehicle structural subsystem weight estimation based on finite element modeling and structural analysis. The process is intended to complement traditional methods of conceptual and early preliminary structural design such as the application of empirical weight estimation or application of classical engineering design equations and criteria on one dimensional "line" models. Functions of two commercially available software codes are coupled together. Vehicle modeling and analysis are done using SDRC/I-DEAS, and structural sizing is performed with the Collier Research Corp. HyperSizer program.

  18. Structural reliability analysis of laminated CMC components

    NASA Technical Reports Server (NTRS)

    Duffy, Stephen F.; Palko, Joseph L.; Gyekenyesi, John P.

    1991-01-01

    For laminated ceramic matrix composite (CMC) materials to realize their full potential in aerospace applications, design methods and protocols are a necessity. The time independent failure response of these materials is focussed on and a reliability analysis is presented associated with the initiation of matrix cracking. A public domain computer algorithm is highlighted that was coupled with the laminate analysis of a finite element code and which serves as a design aid to analyze structural components made from laminated CMC materials. Issues relevant to the effect of the size of the component are discussed, and a parameter estimation procedure is presented. The estimation procedure allows three parameters to be calculated from a failure population that has an underlying Weibull distribution.

  19. Implementation of a partitioned algorithm for simulation of large CSI problems

    NASA Technical Reports Server (NTRS)

    Alvin, Kenneth F.; Park, K. C.

    1991-01-01

    The implementation of a partitioned numerical algorithm for determining the dynamic response of coupled structure/controller/estimator finite-dimensional systems is reviewed. The partitioned approach leads to a set of coupled first and second-order linear differential equations which are numerically integrated with extrapolation and implicit step methods. The present software implementation, ACSIS, utilizes parallel processing techniques at various levels to optimize performance on a shared-memory concurrent/vector processing system. A general procedure for the design of controller and filter gains is also implemented, which utilizes the vibration characteristics of the structure to be solved. Also presented are: example problems; a user's guide to the software; the procedures and algorithm scripts; a stability analysis for the algorithm; and the source code for the parallel implementation.

  20. Modal coupling procedures adapted to NASTRAN analysis of the 1/8-scale shuttle structural dynamics model. Volume 1: Technical report

    NASA Technical Reports Server (NTRS)

    Zalesak, J.

    1975-01-01

    A dynamic substructuring analysis, utilizing the component modes technique, of the 1/8 scale space shuttle orbiter finite element model is presented. The analysis was accomplished in 3 phases, using NASTRAN RIGID FORMAT 3, with appropriate Alters, on the IBM 360-370. The orbiter was divided into 5 substructures, each of which was reduced to interface degrees of freedom and generalized normal modes. The reduced substructures were coupled to yield the first 23 symmetric free-free orbiter modes, and the eigenvectors in the original grid point degree of freedom lineup were recovered. A comparison was made with an analysis which was performed with the same model using the direct coordinate elimination approach. Eigenvalues were extracted using the inverse power method.

  1. High Performance Parallel Analysis of Coupled Problems for Aircraft Propulsion

    NASA Technical Reports Server (NTRS)

    Felippa, C. A.; Farhat, C.; Lanteri, S.; Maman, N.; Piperno, S.; Gumaste, U.

    1994-01-01

    In order to predict the dynamic response of a flexible structure in a fluid flow, the equations of motion of the structure and the fluid must be solved simultaneously. In this paper, we present several partitioned procedures for time-integrating this focus coupled problem and discuss their merits in terms of accuracy, stability, heterogeneous computing, I/O transfers, subcycling, and parallel processing. All theoretical results are derived for a one-dimensional piston model problem with a compressible flow, because the complete three-dimensional aeroelastic problem is difficult to analyze mathematically. However, the insight gained from the analysis of the coupled piston problem and the conclusions drawn from its numerical investigation are confirmed with the numerical simulation of the two-dimensional transient aeroelastic response of a flexible panel in a transonic nonlinear Euler flow regime.

  2. Liquid chromatography coupled with time-of-flight and ion trap mass spectrometry for qualitative analysis of herbal medicines.

    PubMed

    Chen, Xiao-Fei; Wu, Hai-Tang; Tan, Guang-Guo; Zhu, Zhen-Yu; Chai, Yi-Feng

    2011-11-01

    With the expansion of herbal medicine (HM) market, the issue on how to apply up-to-date analytical tools on qualitative analysis of HMs to assure their quality, safety and efficacy has been arousing great attention. Due to its inherent characteristics of accurate mass measurements and multiple stages analysis, the integrated strategy of liquid chromatography (LC) coupled with time-of-flight mass spectrometry (TOF-MS) and ion trap mass spectrometry (IT-MS) is well-suited to be performed as qualitative analysis tool in this field. The purpose of this review is to provide an overview on the potential of this integrated strategy, including the review of general features of LC-IT-MS and LC-TOF-MS, the advantages of their combination, the common procedures for structure elucidation, the potential of LC-hybrid-IT-TOF/MS and also the summary and discussion of the applications of the integrated strategy for HM qualitative analysis (2006-2011). The advantages and future developments of LC coupled with IT and TOF-MS are highlighted.

  3. The use of optimization techniques to design controlled diffusion compressor blading

    NASA Technical Reports Server (NTRS)

    Sanger, N. L.

    1982-01-01

    A method for automating compressor blade design using numerical optimization, and applied to the design of a controlled diffusion stator blade row is presented. A general purpose optimization procedure is employed, based on conjugate directions for locally unconstrained problems and on feasible directions for locally constrained problems. Coupled to the optimizer is an analysis package consisting of three analysis programs which calculate blade geometry, inviscid flow, and blade surface boundary layers. The optimizing concepts and selection of design objective and constraints are described. The procedure for automating the design of a two dimensional blade section is discussed, and design results are presented.

  4. GRC RBCC Concept Multidisciplinary Analysis

    NASA Technical Reports Server (NTRS)

    Suresh, Ambady

    2001-01-01

    This report outlines the GRC RBCC Concept for Multidisciplinary Analysis. The multidisciplinary coupling procedure is presented, along with technique validations and axisymmetric multidisciplinary inlet and structural results. The NPSS (Numerical Propulsion System Simulation) test bed developments and code parallelization are also presented. These include milestones and accomplishments, a discussion of running R4 fan application on the PII cluster as compared to other platforms, and the National Combustor Code speedup.

  5. Simple and fast analysis of tetrabromobisphenol A, hexabromocyclododecane isomers, and polybrominated diphenyl ethers in serum using solid-phase extraction or QuEChERS extraction followed by tandem mass spectrometry coupled to HPLC and GC.

    PubMed

    Li, Jian; Chen, Tian; Wang, Yuwei; Shi, Zhixiong; Zhou, Xianqing; Sun, Zhiwei; Wang, Dejun; Wu, Yongning

    2017-02-01

    Two simplified sample preparation procedures for simultaneous extraction and clean-up of tetrabromobisphenol A, α-, β-, and γ-hexabromocyclododecane and polybrominated diphenyl ethers in human serum were developed and validated. The first procedure was based on solid-phase extraction. Sample extraction, purification, and lipid removal were carried out directly on an Oasis HLB cartridge. The second procedure was a quick, easy, cheap, effective, rugged, and safe-based approach using octadecyl-modified silica particles as a sorbent. After sample extraction and cleanup, tetrabromobisphenol A/hexabromocyclododecane was separated from polybrominated diphenyl ethers by using a Si-based cartridge. Tetrabromobisphenol A and hexabromocyclododecane were then detected by high-performance liquid chromatography coupled to tandem mass spectrometry, while polybrominated diphenyl ethers were detected by gas chromatography coupled to tandem mass spectrometry. The results of the spike recovery test using fetal bovine serum showed that the average recoveries of the analytes ranged from 87.3 to 115.3% with relative standard deviations equal to or lower than 13.4 %. Limits of detection of the analytes were in the range of 0.4-19 pg/mL except for decabromodiphenyl ether. The developed method was successfully applied to routine analysis of human serum samples from occupational workers and the general population. Extremely high serum polybrominated diphenyl ethers levels up to 3.32 × 10 4 ng/g lipid weight were found in occupational workers. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. SW-846 Test Method 4025: Screening for Polychlorinated Dibenzodioxins and Polychlorinated Dibenzofurans (PCDD/PCDFs) by Immunoassay

    EPA Pesticide Factsheets

    a procedure for the analysis of (PCDDs/PCDFs) in soil at 500 ppt (pg/g) using a simple onestep liquid phase oxidative cleanup or, at mid to low ppt levels, using a two step coupled column cleanup (oxidation and activated carbon binding)

  7. Multi-Metallic Galvanic Corrosion

    DTIC Science & Technology

    1988-05-01

    Tate-Emery Company Calipers, Model #120, Starrett Company Extensometer, Model #P3M, Satec Incorporated Saw, Abrasimet Model, Buehler Limited PROCEDURE...few percent. Failure Analysis & Prevention, Metals Handbook Vol. 10, ASTM 1975, p. 182. 5 MPY 35-0 30-/ 25/ 20-0 15- 10- es -10Ŕ 6061-T6 COUPLED WITH

  8. Preprocessing and Analysis of LC-MS-Based Proteomic Data

    PubMed Central

    Tsai, Tsung-Heng; Wang, Minkun; Ressom, Habtom W.

    2016-01-01

    Liquid chromatography coupled with mass spectrometry (LC-MS) has been widely used for profiling protein expression levels. This chapter is focused on LC-MS data preprocessing, which is a crucial step in the analysis of LC-MS based proteomics. We provide a high-level overview, highlight associated challenges, and present a step-by-step example for analysis of data from LC-MS based untargeted proteomic study. Furthermore, key procedures and relevant issues with the subsequent analysis by multiple reaction monitoring (MRM) are discussed. PMID:26519169

  9. Test and analysis procedures for updating math models of Space Shuttle payloads

    NASA Technical Reports Server (NTRS)

    Craig, Roy R., Jr.

    1991-01-01

    Over the next decade or more, the Space Shuttle will continue to be the primary transportation system for delivering payloads to Earth orbit. Although a number of payloads have already been successfully carried by the Space Shuttle in the payload bay of the Orbiter vehicle, there continues to be a need for evaluation of the procedures used for verifying and updating the math models of the payloads. The verified payload math models is combined with an Orbiter math model for the coupled-loads analysis, which is required before any payload can fly. Several test procedures were employed for obtaining data for use in verifying payload math models and for carrying out the updating of the payload math models. Research was directed at the evaluation of test/update procedures for use in the verification of Space Shuttle payload math models. The following research tasks are summarized: (1) a study of free-interface test procedures; (2) a literature survey and evaluation of model update procedures; and (3) the design and construction of a laboratory payload simulator.

  10. Development of Multiobjective Optimization Techniques for Sonic Boom Minimization

    NASA Technical Reports Server (NTRS)

    Chattopadhyay, Aditi; Rajadas, John Narayan; Pagaldipti, Naryanan S.

    1996-01-01

    A discrete, semi-analytical sensitivity analysis procedure has been developed for calculating aerodynamic design sensitivities. The sensitivities of the flow variables and the grid coordinates are numerically calculated using direct differentiation of the respective discretized governing equations. The sensitivity analysis techniques are adapted within a parabolized Navier Stokes equations solver. Aerodynamic design sensitivities for high speed wing-body configurations are calculated using the semi-analytical sensitivity analysis procedures. Representative results obtained compare well with those obtained using the finite difference approach and establish the computational efficiency and accuracy of the semi-analytical procedures. Multidisciplinary design optimization procedures have been developed for aerospace applications namely, gas turbine blades and high speed wing-body configurations. In complex applications, the coupled optimization problems are decomposed into sublevels using multilevel decomposition techniques. In cases with multiple objective functions, formal multiobjective formulation such as the Kreisselmeier-Steinhauser function approach and the modified global criteria approach have been used. Nonlinear programming techniques for continuous design variables and a hybrid optimization technique, based on a simulated annealing algorithm, for discrete design variables have been used for solving the optimization problems. The optimization procedure for gas turbine blades improves the aerodynamic and heat transfer characteristics of the blades. The two-dimensional, blade-to-blade aerodynamic analysis is performed using a panel code. The blade heat transfer analysis is performed using an in-house developed finite element procedure. The optimization procedure yields blade shapes with significantly improved velocity and temperature distributions. The multidisciplinary design optimization procedures for high speed wing-body configurations simultaneously improve the aerodynamic, the sonic boom and the structural characteristics of the aircraft. The flow solution is obtained using a comprehensive parabolized Navier Stokes solver. Sonic boom analysis is performed using an extrapolation procedure. The aircraft wing load carrying member is modeled as either an isotropic or a composite box beam. The isotropic box beam is analyzed using thin wall theory. The composite box beam is analyzed using a finite element procedure. The developed optimization procedures yield significant improvements in all the performance criteria and provide interesting design trade-offs. The semi-analytical sensitivity analysis techniques offer significant computational savings and allow the use of comprehensive analysis procedures within design optimization studies.

  11. 37Cl/35Cl isotope ratio analysis in perchlorate by ion chromatography/multi collector -ICPMS: Analytical performance and implication for biodegradation studies.

    PubMed

    Zakon, Yevgeni; Ronen, Zeev; Halicz, Ludwik; Gelman, Faina

    2017-10-01

    In the present study we propose a new analytical method for 37 Cl/ 35 Cl analysis in perchlorate by Ion Chromatography(IC) coupled to Multicollector Inductively Coupled Plasma Mass Spectrometry (MC-ICPMS). The accuracy of the analytical method was validated by analysis of international perchlorate standard materials USGS-37 and USGS -38; analytical precision better than ±0.4‰ was achieved. 37 Cl/ 35 Cl isotope ratio analysis in perchlorate during laboratory biodegradation experiment with microbial cultures enriched from the contaminated soil in Israel resulted in isotope enrichment factor ε 37 Cl = -13.3 ± 1‰, which falls in the range reported previously for perchlorate biodegradation by pure microbial cultures. The proposed analytical method may significantly simplify the procedure for isotope analysis of perchlorate which is currently applied in environmental studies. Copyright © 2017. Published by Elsevier Ltd.

  12. Prediction of jump phenomena in rotationally-coupled maneuvers of aircraft, including nonlinear aerodynamic effects

    NASA Technical Reports Server (NTRS)

    Young, J. W.; Schy, A. A.; Johnson, K. G.

    1977-01-01

    An analytical method has been developed for predicting critical control inputs for which nonlinear rotational coupling may cause sudden jumps in aircraft response. The analysis includes the effect of aerodynamics which are nonlinear in angle of attack. The method involves the simultaneous solution of two polynomials in roll rate, whose coefficients are functions of angle of attack and the control inputs. Results obtained using this procedure are compared with calculated time histories to verify the validity of the method for predicting jump-like instabilities.

  13. Role strain in couples with and without a child with a chronic illness: associations with marital satisfaction, intimacy, and daily mood.

    PubMed

    Quittner, A L; Opipari, L C; Espelage, D L; Carter, B; Eid, N; Eigen, H

    1998-03-01

    This study examined marital role strain in 33 couples caring for a child with cystic fibrosis (CF) and 33 couples with a healthy child. The relationship between role strain, marital satisfaction, and psychological distress was tested. Couples completed a structured interview, questionnaires, a card sort procedure, and 4 daily diaries assessing activities and mood. Couples in the CF versus comparison group reported greater role strain on measures of role conflict, child-care tasks, and exchanges of affection. They also spent less time in recreational activities, but no reliable group differences were found in marital satisfaction or depression. Regression analyses indicated that role strain was related to marital satisfaction and depression and that recreation time accounted for additional variance. Path analysis suggested that recreation mediated the negative relationship between role strain and distress. The importance of using a contextual, process-oriented approach is discussed.

  14. High-Performance Parallel Analysis of Coupled Problems for Aircraft Propulsion

    NASA Technical Reports Server (NTRS)

    Felippa, C. A.; Farhat, C.; Park, K. C.; Gumaste, U.; Chen, P.-S.; Lesoinne, M.; Stern, P.

    1997-01-01

    Applications are described of high-performance computing methods to the numerical simulation of complete jet engines. The methodology focuses on the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion driven by structural displacements. The latter is treated by a ALE technique that models the fluid mesh motion as that of a fictitious mechanical network laid along the edges of near-field elements. New partitioned analysis procedures to treat this coupled three-component problem were developed. These procedures involved delayed corrections and subcycling, and have been successfully tested on several massively parallel computers, including the iPSC-860, Paragon XP/S and the IBM SP2. The NASA-sponsored ENG10 program was used for the global steady state analysis of the whole engine. This program uses a regular FV-multiblock-grid discretization in conjunction with circumferential averaging to include effects of blade forces, loss, combustor heat addition, blockage, bleeds and convective mixing. A load-balancing preprocessor for parallel versions of ENG10 was developed as well as the capability for the first full 3D aeroelastic simulation of a multirow engine stage. This capability was tested on the IBM SP2 parallel supercomputer at NASA Ames.

  15. Mediation in dyadic data at the level of the dyads: a Structural Equation Modeling approach.

    PubMed

    Ledermann, Thomas; Macho, Siegfried

    2009-10-01

    An extended version of the Common Fate Model (CFM) is presented to estimate and test mediation in dyadic data. The model can be used for distinguishable dyad members (e.g., heterosexual couples) or indistinguishable dyad members (e.g., homosexual couples) if (a) the variables measure characteristics of the dyadic relationship or shared external influences that affect both partners; if (b) the causal associations between the variables should be analyzed at the dyadic level; and if (c) the measured variables are reliable indicators of the latent variables. To assess mediation using Structural Equation Modeling, a general three-step procedure is suggested. The first is a selection of a good fitting model, the second a test of the direct effects, and the third a test of the mediating effect by means of bootstrapping. The application of the model along with the procedure for assessing mediation is illustrated using data from 184 couples on marital problems, communication, and marital quality. Differences with the Actor-Partner Interdependence Model and the analysis of longitudinal mediation by using the CFM are discussed.

  16. Determination of Aspartame and Caffeine in Carbonated Beverages Utilizing Electrospray Ionization-Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Bergen, H. Robert, III; Benson, Linda M.; Naylor, Stephen

    2000-10-01

    Mass spectrometry has undergone considerable changes in the past decade. The advent of "soft ionization" techniques such as electrospray ionization (ESI) affords the direct analysis of very polar molecules without need for the complex inefficient derivatization procedures often required in GC-MS. These ionization techniques make possible the direct mass spectral analysis of polar nonvolatile molecules such as DNA and proteins, which previously were difficult or impossible to analyze by MS. Compounds that readily take on a charge (acids and bases) lend themselves to ESI-MS analysis, whereas compounds that do not readily accept a charge (e.g. sugars) are often not seen or are seen only as inefficient adducts (e.g., M+Na+). To gain exposure to this state-of-the-art analytical procedure, high school students utilize ESI-MS in an analysis of aspartame and caffeine. They dilute a beverage sample and inject the diluted sample into the ESI-MS. The lab is procedurally simple and the results clearly demonstrate the potential and limitations of ESI-coupled mass spectrometry. Depending upon the instructional goals, the outlined procedures can be used to quantify the content of caffeine and aspartame in beverages or to understand the capabilities of electrospray ionization.

  17. The use of time-averaged 3JHH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: methodology and applications.

    PubMed

    Hendrickx, Pieter M S; Corzana, Francisco; Depraetere, Stefaan; Tourwé, Dirk A; Augustyns, Koen; Martins, José C

    2010-02-01

    Because of its presence in many molecules of biological relevance, the conformational analysis of five-membered rings using (3)J(HH) scalar coupling data from NMR is a topic of considerable interest. Typically, conformational analysis involves the use of a well-established mathematical procedure, originally developed by de Leeuw et al., that fits two rigid conformations to the available experimental data. This so-called pseudorotation analysis approach is not without problems, however, as chemically unrealistic conformations are sometimes generated from the data. Here, we present our investigations in the use of time-averaged restrained molecular dynamics simulations as a generic tool to determine the conformations that agree with experimental (3)J(HH) scalar coupling data. For this purpose, a set of six ribose-based molecules has been used as model compounds. The influence of several modeling parameters is assessed and optimized values are proposed. The results obtained with the tar-MD approach are compared to those obtained from the two conformer fitting procedure. Interpretation of the latter is facilitated by the introduction of a fitting error analysis that allows mapping the solution space of the fitting procedure. The relative merits of both methods and the advantages that result from the use of a force field and a time-averaged restraint potential for the experimental data are discussed. When combined, both techniques allow an enhanced understanding of the molecules' conformational behavior and prevent possible overinterpretation. In view of the very reasonable computational burden of a tar-MD simulation for the systems investigated here, the approach should be generally applicable. Copyright 2009 Wiley Periodicals, Inc.

  18. NHEXAS PHASE I ARIZONA STUDY--STANDARD OPERATING PROCEDURE--COMPENDIUM OF METHODS FOR ANALYSIS OF METALS, PESTICIDES, AND VOCS IN WATER (EPA-COMPENDIUM)

    EPA Science Inventory

    This compendium includes descriptions of methods for analyzing metals, pesticides and volatile organic compounds (VOCs) in water. The individual methods covered are these: (1) Method 200.8: determination of trace elements in waters and wastes by inductively coupled plasma-mass s...

  19. On the Relationship between Energy Density and Net Power (Intensity) in Coupled One-Dimensional Dynamic Systems

    DTIC Science & Technology

    1990-03-01

    equation of the statistical energy analysis (SEA) using the procedure indicated in equation (13) [8, 9]. Similarly, one may state the quantities (. (X-)) and...CONGRESS ON ACOUSTICS, July 24-31 1986, Toronto, Canada, Paper D6-1. 5. CUSCHIERI, J.M., Power flow as a compliment to statistical energy analysis and...34Random response of identical one-dimensional subsystems", Journal of Sound and Vibration, 1980, Vol. 70, p. 343-353. 8. LYON, R.H., Statistical Energy Analysis of

  20. Ligand-Free Suzuki-Miyaura Coupling Reactions Using an Inexpensive Aqueous Palladium Source: A Synthetic and Computational Exercise for the Undergraduate Organic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Hill, Nicholas J.; Bowman, Matthew D.; Esselman, Brian J.; Byron, Stephen D.; Kreitinger, Jordan; Leadbeater, Nicholas E.

    2014-01-01

    An inexpensive procedure for introducing the Suzuki-Miyaura coupling reaction into a high-enrollment undergraduate organic chemistry laboratory course is described. The procedure employs an aqueous palladium solution as the catalyst and a range of para-substituted aryl bromides and arylboronic acids as substrates. The coupling reactions proceed…

  1. A continuous spectrophotometric assay method for peptidylarginine deiminase type 4 activity.

    PubMed

    Liao, Ya-Fan; Hsieh, Hui-Chieh; Liu, Guang-Yaw; Hung, Hui-Chih

    2005-12-15

    A simple, continuous spectrophotometric assay for peptidylarginine deiminase (PAD) is described. Deimination of peptidylarginine results in the formation of peptidylcitrulline and ammonia. The ammonia released during peptidylarginine hydrolysis is coupled to the glutamate-dehydrogenase-catalyzed reductive amination of alpha-ketoglutarate to glutamate and reduced nicotinamide adenine dinucleotide (NADH) oxidation. The disappearance of absorbance at 340nm due to NADH oxidation is continuously measured. The specific activity obtained by this new protocol for highly purified human PAD is comparable to that obtained by a commonly used colorimetric procedure, which measures the ureido group of peptidylcitrulline by coupling with diacetyl monoxime. The present continuous spectrophotometric method is highly sensitive and accurate and is thus suitable for enzyme kinetic analysis of PAD. The Ca(2+) concentration for half-maximal activity of PAD obtained by this method is comparable to that previously obtained by the colorimetric procedure.

  2. NHEXAS PHASE I ARIZONA STUDY--STANDARD OPERATING PROCEDURE FOR EXTRACTION OF METALS FROM SOIL, DUST, AIR FILTER, AND SURFACE AND DERMAL SAMPLES FOR AA (GRAPHITE FURNACE OR FLAME) OR ICP-AES ANALYSIS (BCO-L-3.1)

    EPA Science Inventory

    The purpose of this SOP is to describe the acid digestion of soil, house dust, air filter, and surface or dermal wipe samples for analysis using inductively coupled plasma atomic emissions spectrometry (ICP-AES) and/or graphite furnace atomic absorption spectrometry (GFAAS) or fl...

  3. Multidisciplinary tailoring of hot composite structures

    NASA Technical Reports Server (NTRS)

    Singhal, Surendra N.; Chamis, Christos C.

    1993-01-01

    A computational simulation procedure is described for multidisciplinary analysis and tailoring of layered multi-material hot composite engine structural components subjected to simultaneous multiple discipline-specific thermal, structural, vibration, and acoustic loads. The effect of aggressive environments is also simulated. The simulation is based on a three-dimensional finite element analysis technique in conjunction with structural mechanics codes, thermal/acoustic analysis methods, and tailoring procedures. The integrated multidisciplinary simulation procedure is general-purpose including the coupled effects of nonlinearities in structure geometry, material, loading, and environmental complexities. The composite material behavior is assessed at all composite scales, i.e., laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization hygro-thermo-mechanical model. Sample tailoring cases exhibiting nonlinear material/loading/environmental behavior of aircraft engine fan blades, are presented. The various multidisciplinary loads lead to different tailored designs, even those competing with each other, as in the case of minimum material cost versus minimum structure weight and in the case of minimum vibration frequency versus minimum acoustic noise.

  4. Vibro-acoustic modeling and analysis of a coupled acoustic system comprising a partially opened cavity coupled with a flexible plate

    NASA Astrophysics Data System (ADS)

    Shi, Shuangxia; Su, Zhu; Jin, Guoyong; Liu, Zhigang

    2018-01-01

    This paper is concerned with the modeling and solution method of a three-dimensional (3D) coupled acoustic system comprising a partially opened cavity coupled with a flexible plate and an exterior field of semi-infinite size, which is ubiquitously encountered in architectural acoustics and is a reasonable representation of many engineering occasions. A general solution method is presented to predict the dynamic behaviors of the three-dimensional (3D) acoustic coupled system, in which the displacement of the plate and the sound pressure in the cavity are respectively constructed in the form of the two-dimensional and three-dimensional modified Fourier series with several auxiliary functions introduced to ensure the uniform convergence of the solution over the entire solution domain. The effect of the opening is taken into account via the work done by the sound pressure acting at the coupling aperture that is contributed from the vibration of particles on the acoustic coupling interface and on the structural-acoustic coupling interface. Both the acoustic coupling between finite cavity and exterior field and the structural-acoustic coupling between flexible plate and interior acoustic field are considered in the vibro-acoustic modeling of the three-dimensional acoustic coupled acoustic system. The dynamic responses of the coupled structural-acoustic system are obtained using the Rayleigh-Ritz procedure based on the energy expressions for the coupled system. The accuracy and effectiveness of the proposed method are validated through numerical examples and comparison with results obtained by the boundary element analysis. Furthermore, the influence of the opening and the cavity volume on the acoustic behaviors of opened cavity system is studied.

  5. System and methods for predicting transmembrane domains in membrane proteins and mining the genome for recognizing G-protein coupled receptors

    DOEpatents

    Trabanino, Rene J; Vaidehi, Nagarajan; Hall, Spencer E; Goddard, William A; Floriano, Wely

    2013-02-05

    The invention provides computer-implemented methods and apparatus implementing a hierarchical protocol using multiscale molecular dynamics and molecular modeling methods to predict the presence of transmembrane regions in proteins, such as G-Protein Coupled Receptors (GPCR), and protein structural models generated according to the protocol. The protocol features a coarse grain sampling method, such as hydrophobicity analysis, to provide a fast and accurate procedure for predicting transmembrane regions. Methods and apparatus of the invention are useful to screen protein or polynucleotide databases for encoded proteins with transmembrane regions, such as GPCRs.

  6. WaveNet: A Web-Based Metocean Data Access, Processing, and Analysis Tool. Part 3 - CDIP Database

    DTIC Science & Technology

    2014-06-01

    and Analysis Tool; Part 3 – CDIP Database by Zeki Demirbilek, Lihwa Lin, and Derek Wilson PURPOSE: This Coastal and Hydraulics Engineering...Technical Note (CHETN) describes coupling of the Coastal Data Information Program ( CDIP ) database to WaveNet, the first module of MetOcnDat (Meteorological...provides a step-by-step procedure to access, process, and analyze wave and wind data from the CDIP database. BACKGROUND: WaveNet addresses a basic

  7. U.S.-MEXICO BORDER PROGRAM ARIZONA BORDER STUDY--STANDARD OPERATING PROCEDURE FOR EXTRACTION OF METALS FROM SOIL, DUST, AIR FILTER, AND SURFACE AND DERMAL WIPE SAMPLES FOR AA (GRAPHITE FURNACE OR FLAME) OR ICP-AES ANALYSIS (BCO-L-3.1)

    EPA Science Inventory

    The purpose of this SOP is to describe the acid digestion of soil, house dust, air filter, and surface or dermal wipe samples for analysis using inductively coupled plasma atomic emissions spectrometry (ICP-AES) and/or graphite furnace atomic absorption spectrometry (GFAAS) or fl...

  8. Refinements of Stout’s Procedure for Assessing Latent Trait Unidimensionality

    DTIC Science & Technology

    1992-08-01

    in the presence of guessing when coupled with many high-discriminating items. A revision of DIMTEST is proposed to overcome this limitation. Also, an...used for factor analysis. When guessing is present in the responses to items, however, linear factor analysis of tetrachoric correlations can produce...significance when d=1 and maintaining good power when d=2, even when the correlation between the abilities is as high as .7. The present study provides a

  9. Novel scanning procedure enabling the vectorization of entire rhizotron-grown root systems

    PubMed Central

    2013-01-01

    This paper presents an original spit-and-combine imaging procedure that enables the complete vectorization of complex root systems grown in rhizotrons. The general principle of the method is to (1) separate the root system into a small number of large pieces to reduce root overlap, (2) scan these pieces one by one, (3) analyze separate images with a root tracing software and (4) combine all tracings into a single vectorized root system. This method generates a rich dataset containing morphological, topological and geometrical information of entire root systems grown in rhizotrons. The utility of the method is illustrated with a detailed architectural analysis of a 20-day old maize root system, coupled with a spatial analysis of water uptake patterns. PMID:23286457

  10. Novel scanning procedure enabling the vectorization of entire rhizotron-grown root systems.

    PubMed

    Lobet, Guillaume; Draye, Xavier

    2013-01-04

    : This paper presents an original spit-and-combine imaging procedure that enables the complete vectorization of complex root systems grown in rhizotrons. The general principle of the method is to (1) separate the root system into a small number of large pieces to reduce root overlap, (2) scan these pieces one by one, (3) analyze separate images with a root tracing software and (4) combine all tracings into a single vectorized root system. This method generates a rich dataset containing morphological, topological and geometrical information of entire root systems grown in rhizotrons. The utility of the method is illustrated with a detailed architectural analysis of a 20-day old maize root system, coupled with a spatial analysis of water uptake patterns.

  11. On a multigrid method for the coupled Stokes and porous media flow problem

    NASA Astrophysics Data System (ADS)

    Luo, P.; Rodrigo, C.; Gaspar, F. J.; Oosterlee, C. W.

    2017-07-01

    The multigrid solution of coupled porous media and Stokes flow problems is considered. The Darcy equation as the saturated porous medium model is coupled to the Stokes equations by means of appropriate interface conditions. We focus on an efficient multigrid solution technique for the coupled problem, which is discretized by finite volumes on staggered grids, giving rise to a saddle point linear system. Special treatment is required regarding the discretization at the interface. An Uzawa smoother is employed in multigrid, which is a decoupled procedure based on symmetric Gauss-Seidel smoothing for velocity components and a simple Richardson iteration for the pressure field. Since a relaxation parameter is part of a Richardson iteration, Local Fourier Analysis (LFA) is applied to determine the optimal parameters. Highly satisfactory multigrid convergence is reported, and, moreover, the algorithm performs well for small values of the hydraulic conductivity and fluid viscosity, that are relevant for applications.

  12. Reaction diffusion in the NiCrAl and CoCrAl systems

    NASA Technical Reports Server (NTRS)

    Levine, S. R.

    1978-01-01

    The paper assesses the effect of overlay coating and substrate composition on the kinetics of coating depletion by interdiffusion. This is accomplished by examining the constitution, kinetics and activation energies for a series of diffusion couples primarily of the NiCrAl/Ni-10Cr or CoCrAl/Ni-10Cr type annealed at temperatures in the range 1000-1205 C for times up to 500 hr. A general procedure is developed for analyzing diffusion in multicomponent multiphase systems. It is shown that by introducing the concept of beta-source strength, which can be determined from appropriate phase diagrams, the Wagner solution for consumption of a second phase in a semiinfinite couple is successfully applied to the analysis of MCrAl couples. Thus, correlation of beta-recession rate constants with couple composition, total and diffusional activation energies, and interdiffusion coefficients are determined.

  13. Development of a candidate reference measurement procedure for the analysis of cortisol in human serum samples by isotope dilution-gas chromatography-mass spectrometry.

    PubMed

    Kawaguchi, Migaku; Takatsu, Akiko

    2009-08-01

    A candidate reference measurement procedure involving isotope dilution coupled with gas chromatography-mass spectrometry (GC-MS) has been developed and critically evaluated. An isotopically labeled internal standard, cortisol-d(2), was added to a serum sample. After equilibration, solid-phase extractions (SPE) for sample preparation and derivatization with heptafluorobutyric anhydride (HFBA) were performed for GC-MS analysis. The limit of detection (LOD) and the limit of quantification (LOQ) were 5 and 20 ng g(-1), respectively. The recovery of the added cortisol ranged from 99.8 to 101.0%. Excellent precision was obtained with a within-day variation (RSD) of 0.7% for GC-MS analysis. The accuracy of the measurement was evaluated by comparing of results of this reference measurement procedure on lyophilized human serum reference materials for cortisol (European Reference Materials (ERM)-DA 192) as Certified Reference Materials (CRMs). The results of this method for total cortisol agreed with the certified values within some uncertainty. This method, which demonstrates simply, easy, good accuracy, high precision, and is free from interferences from structural analogues, qualifies as a reference measurement procedure.

  14. A correction procedure for thermally two-way coupled point-particles

    NASA Astrophysics Data System (ADS)

    Horwitz, Jeremy; Ganguli, Swetava; Mani, Ali; Lele, Sanjiva

    2017-11-01

    Development of a robust procedure for the simulation of two-way coupled particle-laden flows remains a challenge. Such systems are characterized by O(1) or greater mass of particles relative to the fluid. The coupling of fluid and particle motion via a drag model means the undisturbed fluid velocity evaluated at the particle location (which is needed in the drag model) is no longer equal to the interpolated fluid velocity at the particle location. The same issue arises in problems of dispersed flows in the presence of heat transfer. The heat transfer rate to each particle depends on the difference between the particle's temperature and the undisturbed fluid temperature. We borrow ideas from the correction scheme we have developed for particle-fluid momentum coupling by developing a procedure to estimate the undisturbed fluid temperature given the disturbed temperature field created by a point-particle. The procedure is verified for the case of a particle settling under gravity and subject to radiation. The procedure is developed in the low Peclet, low Boussinesq number limit, but we will discuss the applicability of the same correction procedure outside of this regime when augmented by appropriate drag and heat exchange correlations. Supported by DOE, J. H. Supported by NSF GRF

  15. Efficient vibration mode analysis of aircraft with multiple external store configurations

    NASA Technical Reports Server (NTRS)

    Karpel, M.

    1988-01-01

    A coupling method for efficient vibration mode analysis of aircraft with multiple external store configurations is presented. A set of low-frequency vibration modes, including rigid-body modes, represent the aircraft. Each external store is represented by its vibration modes with clamped boundary conditions, and by its rigid-body inertial properties. The aircraft modes are obtained from a finite-element model loaded by dummy rigid external stores with fictitious masses. The coupling procedure unloads the dummy stores and loads the actual stores instead. The analytical development is presented, the effects of the fictitious mass magnitudes are discussed, and a numerical example is given for a combat aircraft with external wing stores. Comparison with vibration modes obtained by a direct (full-size) eigensolution shows very accurate coupling results. Once the aircraft and stores data bases are constructed, the computer time for analyzing any external store configuration is two to three orders of magnitude less than that of a direct solution.

  16. Determination of the rare-earth elements in geological materials by inductively coupled plasma mass spectrometry

    USGS Publications Warehouse

    Lichte, F.E.; Meier, A.L.; Crock, J.G.

    1987-01-01

    A method of analysis of geological materials for the determination of the rare-earth elements using the Inductively coupled plasma mass spectrometric technique (ICP-MS) has been developed. Instrumental parameters and factors affecting analytical results have been first studied and then optimized. Samples are analyzed directly following an acid digestion, without the need for separation or preconcentration with limits of detection of 2-11 ng/g, precision of ?? 2.5% relative standard deviation, and accuracy comparable to inductively coupled plasma emission spectrometry and instrumental neutron activation analysis. A commercially available ICP-MS instrument is used with modifications to the sample introduction system, torch, and sampler orifice to reduce the effects of high salt content of sample solutions prepared from geologic materials. Corrections for isobaric interferences from oxide ions and other diatomic and triatomic ions are made mathematically. Special internal standard procedures are used to compensate for drift in metahmetal oxide ratios and sensitivity. Reference standard values are used to verify the accuracy and utility of the method.

  17. Comparison of a portable micro-X-ray fluorescence spectrometry with inductively coupled plasma atomic emission spectrometry for the ancient ceramics analysis

    NASA Astrophysics Data System (ADS)

    Papadopoulou, D. N.; Zachariadis, G. A.; Anthemidis, A. N.; Tsirliganis, N. C.; Stratis, J. A.

    2004-12-01

    Two multielement instrumental methods of analysis, micro X-ray fluorescence spectrometry (micro-XRF) and inductively coupled plasma atomic emission spectrometry (ICP-AES) were applied for the analysis of 7th and 5th century B.C. ancient ceramic sherds in order to evaluate the above two methods and to assess the potential to use the current compact and portable micro-XRF instrument for the in situ analysis of ancient ceramics. The distinguishing factor of interest is that micro-XRF spectrometry offers the possibility of a nondestructive analysis, an aspect of primary importance in the compositional analysis of cultural objects. Micro-XRF measurements were performed firstly directly on the ceramic sherds with no special pretreatment apart from surface cleaning (micro-XRF on sherds) and secondly on pressed pellet disks which were prepared for each ceramic sherd (micro-XRF on pellet). For the ICP-AES determination of elements, test solutions were prepared by the application of a microwave-assisted decomposition procedure in closed high-pressure PFA vessels. Also, the standard reference material SARM 69 was used for the efficiency calibration of the micro-XRF instrument and was analysed by both methods. In order to verify the calibration, the standard reference materials NCS DC 73332 and SRM620 as well as the reference materials AWI-1 and PRI-1 were analysed by micro-XRF. Elemental concentrations determined by the three analytical procedures (ICP-AES, micro-XRF on sherds and micro-XRF on pellets) were statistically treated by correlation analysis and Student's t-test (at the 95% confidence level).

  18. Fully-coupled analysis of jet mixing problems. Part 1. Shock-capturing model, SCIPVIS

    NASA Technical Reports Server (NTRS)

    Dash, S. M.; Wolf, D. E.

    1984-01-01

    A computational model, SCIPVIS, is described which predicts the multiple cell shock structure in imperfectly expanded, turbulent, axisymmetric jets. The model spatially integrates the parabolized Navier-Stokes jet mixing equations using a shock-capturing approach in supersonic flow regions and a pressure-split approximation in subsonic flow regions. The regions are coupled using a viscous-characteristic procedure. Turbulence processes are represented via the solution of compressibility-corrected two-equation turbulence models. The formation of Mach discs in the jet and the interactive analysis of the wake-like mixing process occurring behind Mach discs is handled in a rigorous manner. Calculations are presented exhibiting the fundamental interactive processes occurring in supersonic jets and the model is assessed via comparisons with detailed laboratory data for a variety of under- and overexpanded jets.

  19. High-performance parallel analysis of coupled problems for aircraft propulsion

    NASA Technical Reports Server (NTRS)

    Felippa, C. A.; Farhat, C.; Chen, P.-S.; Gumaste, U.; Leoinne, M.; Stern, P.

    1995-01-01

    This research program deals with the application of high-performance computing methods to the numerical simulation of complete jet engines. The program was initiated in 1993 by applying two-dimensional parallel aeroelastic codes to the interior gas flow problem of a by-pass jet engine. The fluid mesh generation, domain decomposition and solution capabilities were successfully tested. Attention was then focused on methodology for the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion driven by these structural displacements. The latter is treated by an ALE technique that models the fluid mesh motion as that of a fictitious mechanical network laid along the edges of near-field fluid elements. New partitioned analysis procedures to treat this coupled 3-component problem were developed in 1994. These procedures involved delayed corrections and subcycling, and have been successfully tested on several massively parallel computers. For the global steady-state axisymmetric analysis of a complete engine we have decided to use the NASA-sponsored ENG10 program, which uses a regular FV-multiblock-grid discretization in conjunction with circumferential averaging to include effects of blade forces, loss, combustor heat addition, blockage, bleeds and convective mixing. A load-balancing preprocessor for parallel versions of ENG10 has been developed. It is planned to use the steady-state global solution provided by ENG10 as input to a localized three-dimensional FSI analysis for engine regions where aeroelastic effects may be important.

  20. Application of reflectance spectroscopies (FTIR-ATR & FT-NIR) coupled with multivariate methods for robust in vivo detection of begomovirus infection in papaya leaves

    NASA Astrophysics Data System (ADS)

    Haq, Quazi M. I.; Mabood, Fazal; Naureen, Zakira; Al-Harrasi, Ahmed; Gilani, Sayed A.; Hussain, Javid; Jabeen, Farah; Khan, Ajmal; Al-Sabari, Ruqaya S. M.; Al-khanbashi, Fatema H. S.; Al-Fahdi, Amira A. M.; Al-Zaabi, Ahoud K. A.; Al-Shuraiqi, Fatma A. M.; Al-Bahaisi, Iman M.

    2018-06-01

    Nucleic acid & serology based methods have revolutionized plant disease detection, however, they are not very reliable at asymptomatic stage, especially in case of pathogen with systemic infection, in addition, they need at least 1-2 days for sample harvesting, processing, and analysis. In this study, two reflectance spectroscopies i.e. Near Infrared reflectance spectroscopy (NIR) and Fourier-Transform-Infrared spectroscopy with Attenuated Total Reflection (FT-IR, ATR) coupled with multivariate exploratory methods like Principle Component Analysis (PCA) and Partial least square discriminant analysis (PLS-DA) have been deployed to detect begomovirus infection in papaya leaves. The application of those techniques demonstrates that they are very useful for robust in vivo detection of plant begomovirus infection. These methods are simple, sensitive, reproducible, precise, and do not require any lengthy samples preparation procedures.

  1. Enhanced Multiobjective Optimization Technique for Comprehensive Aerospace Design. Part A

    NASA Technical Reports Server (NTRS)

    Chattopadhyay, Aditi; Rajadas, John N.

    1997-01-01

    A multidisciplinary design optimization procedure which couples formal multiobjectives based techniques and complex analysis procedures (such as computational fluid dynamics (CFD) codes) developed. The procedure has been demonstrated on a specific high speed flow application involving aerodynamics and acoustics (sonic boom minimization). In order to account for multiple design objectives arising from complex performance requirements, multiobjective formulation techniques are used to formulate the optimization problem. Techniques to enhance the existing Kreisselmeier-Steinhauser (K-S) function multiobjective formulation approach have been developed. The K-S function procedure used in the proposed work transforms a constrained multiple objective functions problem into an unconstrained problem which then is solved using the Broyden-Fletcher-Goldfarb-Shanno (BFGS) algorithm. Weight factors are introduced during the transformation process to each objective function. This enhanced procedure will provide the designer the capability to emphasize specific design objectives during the optimization process. The demonstration of the procedure utilizes a computational Fluid dynamics (CFD) code which solves the three-dimensional parabolized Navier-Stokes (PNS) equations for the flow field along with an appropriate sonic boom evaluation procedure thus introducing both aerodynamic performance as well as sonic boom as the design objectives to be optimized simultaneously. Sensitivity analysis is performed using a discrete differentiation approach. An approximation technique has been used within the optimizer to improve the overall computational efficiency of the procedure in order to make it suitable for design applications in an industrial setting.

  2. Analysis of fusaric acid in maize using molecularly imprinted solid phase extraction (MISPE) clean-up and ion-pair LC with diode array UV detection

    USDA-ARS?s Scientific Manuscript database

    Fusaric acid is a phytotoxin and mycotoxin occasionally found in maize contaminated with Fusarium fungi. A selective sample clean-up procedure was developed to detect fusaric acid in maize using molecularly imprinted solid phase extraction (MISPE) clean-up coupled with ion-pair liquid chromatography...

  3. A coupled chemo-thermo-hygro-mechanical model of concrete at high temperature and failure analysis

    NASA Astrophysics Data System (ADS)

    Li, Xikui; Li, Rongtao; Schrefler, B. A.

    2006-06-01

    A hierarchical mathematical model for analyses of coupled chemo-thermo-hygro-mechanical behaviour in concretes at high temperature is presented. The concretes are modelled as unsaturated deforming reactive porous media filled with two immiscible pore fluids, i.e. the gas mixture and the liquid mixture, in immiscible-miscible levels. The thermo-induced desalination process is particularly integrated into the model. The chemical effects of both the desalination and the dehydration processes on the material damage and the degradation of the material strength are taken into account. The mathematical model consists of a set of coupled, partial differential equations governing the mass balance of the dry air, the mass balance of the water species, the mass balance of the matrix components dissolved in the liquid phases, the enthalpy (energy) balance and momentum balance of the whole medium mixture. The governing equations, the state equations for the model and the constitutive laws used in the model are given. A mixed weak form for the finite element solution procedure is formulated for the numerical simulation of chemo-thermo-hygro-mechanical behaviours. Special considerations are given to spatial discretization of hyperbolic equation with non-self-adjoint operator nature. Numerical results demonstrate the performance and the effectiveness of the proposed model and its numerical procedure in reproducing coupled chemo-thermo-hygro-mechanical behaviour in concretes subjected to fire and thermal radiation.

  4. The Decision for Male versus Female Sterilization.

    ERIC Educational Resources Information Center

    Clark, Margaret Pruitt; And Others

    1979-01-01

    The increasing popularity of sterilization underscores the need for knowledge about couples choosing male and female procedures. This research delineates four sets of variables that may be important for the decision and examines their relationship with the choice of male or female procedure among a sample of married couples. (Author)

  5. Modeling and Analysis of Composite Wing Sections for Improved Aeroelastic and Vibration Characteristics Using Smart Materials

    NASA Technical Reports Server (NTRS)

    Chattopadhyay, Aditi

    1996-01-01

    The objective of this research is to develop analysis procedures to investigate the coupling of composite and smart materials to improve aeroelastic and vibratory response of aerospace structures. The structural modeling must account for arbitrarily thick geometries, embedded and surface bonded sensors and actuators and imperfections, such as delamination. Changes in the dynamic response due to the presence of smart materials and delaminations is investigated. Experiments are to be performed to validate the proposed mathematical model.

  6. Methods of analysis by the U.S. Geological Survey National Water Quality Laboratory; preparation procedure for aquatic biological material determined for trace metals

    USGS Publications Warehouse

    Hoffman, Gerald L.

    1996-01-01

    A method for the chemical preparation of tissue samples that are subsequently analyzed for 22 trace metals is described. The tissue-preparation procedure was tested with three National Institute of Standards and Technology biological standard reference materials and two National Water Quality Laboratory homogenized biological materials. A low-temperature (85 degrees Celsius) nitric acid digestion followed by the careful addition of hydrogen peroxide (30-percent solution) is used to decompose the biological material. The solutions are evaporated to incipient dryness, reconstituted with 5 percent nitric acid, and filtered. After filtration the solutions were diluted to a known volume and analyzed by inductively coupled plasma-mass spectrometry (ICP-MS), inductively coupled plasma-atomic emission spectrometry (ICP-AES), and cold vapor-atomic absorption spectrophotometry (CV-AAS). Many of the metals were determined by both ICP-MS and ICP-AES. This report does not provide a detailed description of the instrumental procedures and conditions used with the three types of instrumentation for the quantitation of trace metals determined in this study. Statistical data regarding recovery, accuracy, and precision for individual trace metals determined in the biological material tested are summarized.

  7. Three-phase hollow-fiber liquid-phase microextraction combined with HPLC-UV for the determination of isothiazolinone biocides in adhesives used for food packaging materials.

    PubMed

    Rosero-Moreano, Milton; Canellas, Elena; Nerín, Cristina

    2014-02-01

    The present study deals with the development of a liquid microextraction procedure for enhancing the sensitivity of the determination of 2-methyl-4-isothiazolin-3-one and 5-chloro-2-methyl-4-isothiazolin-3-one in adhesives. The procedure involves a three-phase hollow-fiber liquid-phase microextraction using a semipermeable polypropylene membrane, which contained 1-octanol as the organic phase in the pores of the membrane. The donor and acceptor phases are aqueous acidic and alkaline media, respectively, and the final liquid phase (acceptor) is analyzed by HPLC coupled with diode array detection. The most appropriate conditions were extraction time 20 min, stirring speed 1400 rpm, extraction temperature 50°C. The quantification limits of the method were 0.123 and 0.490 μg/g for 2-methyl-4-isothiazolin-3-one and 5-chloro-2-methyl-4-isothiazolin-3-one, respectively. Three different adhesive samples were successfully analyzed. The procedure was compared to direct analysis using ultra high pressure liquid chromatography coupled with TOF-MS, where the identification of the compounds and the quantification values were confirmed. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Quantitative 3D Analysis of Nuclear Morphology and Heterochromatin Organization from Whole-Mount Plant Tissue Using NucleusJ.

    PubMed

    Desset, Sophie; Poulet, Axel; Tatout, Christophe

    2018-01-01

    Image analysis is a classical way to study nuclear organization. While nuclear organization used to be investigated by colorimetric or fluorescent labeling of DNA or specific nuclear compartments, new methods in microscopy imaging now enable qualitative and quantitative analyses of chromatin pattern, and nuclear size and shape. Several procedures have been developed to prepare samples in order to collect 3D images for the analysis of spatial chromatin organization, but only few preserve the positional information of the cell within its tissue context. Here, we describe a whole mount tissue preparation procedure coupled to DNA staining using the PicoGreen ® intercalating agent suitable for image analysis of the nucleus in living and fixed tissues. 3D Image analysis is then performed using NucleusJ, an open source ImageJ plugin, which allows for quantifying variations in nuclear morphology such as nuclear volume, sphericity, elongation, and flatness as well as in heterochromatin content and position in respect to the nuclear periphery.

  9. Non invasive evaluation of cardiomechanics in patients undergoing MitrClip procedure

    PubMed Central

    2013-01-01

    Background In the last recent years a new percutaneous procedure, the MitraClip, has been validated for the treatment of mitral regurgitation. MitraClip procedure is a promising alternative for patients unsuitable for surgery as it reduces the risk of death related to surgery ensuring a similar result. Few data are present in literature about the variation of hemodynamic parameters and ventricular coupling after Mitraclip implantation. Methods Hemodynamic data of 18 patients enrolled for MitraClip procedure were retrospectively reviewed and analyzed. Echocardiographic measurements were obtained the day before the procedure (T0) and 21 ± 3 days after the procedure (T1), including evaluation of Ejection Fraction, mitral valve regurgitation severity and mechanism, forward Stroke Volume, left atrial volume, estimated systolic pulmonary pressure, non invasive echocardiographic estimation of single beat ventricular elastance (Es(sb)), arterial elastance (Ea) measured as systolic pressure • 0.9/ Stroke Volume, ventricular arterial coupling (Ea/Es(sb) ratio). Data were expressed as median and interquartile range. Measures obtained before and after the procedure were compared using Wilcoxon non parametric test for paired samples. Results Mitraclip procedure was effective in reducing regurgitation. We observed an amelioration of echocardiographic parameters with a reduction of estimated systolic pulmonary pressure (45 to 37,5 p = 0,0002) and left atrial volume (110 to 93 p = 0,0001). Despite a few cases decreasing in ejection fraction (37 to 35 p = 0,035), the maintained ventricular arterial coupling after the procedure (P = 0,67) was associated with an increasing in forward stroke volume (60,3 to 78 p = 0,05). Conclusion MitraClip is effective in reducing mitral valve regurgitation and determines an amelioration of hemodynamic parameters with preservation of ventricular arterial coupling. PMID:23642140

  10. On an integro-differential equation model for the study of the response of an acoustically coupled panel

    NASA Technical Reports Server (NTRS)

    Yen, D. H. Y.; Maestrello, L.; Padula, S.

    1975-01-01

    The response of a clamped panel to supersonically convected turbulence is considered. A theoretical model in the form of an integro-differential equation is employed that takes into account the coupling between the panel motion and the surrounding acoustic medium. The kernels of the integrals, which represent induced pressures due to the panel motion, are Green's functions for sound radiations under various moving and stationary sources. An approximate analysis is made by following a finite-element Ritz-Galerkin procedure. Preliminary numerical results, in agreement with experimental findings, indicate that the acoustic damping is the controlling mechanism of the response.

  11. A solid-phase extraction procedure coupled to 1H NMR, with chemometric analysis, to seek reliable markers of the botanical origin of honey.

    PubMed

    Beretta, Giangiacomo; Caneva, Enrico; Regazzoni, Luca; Bakhtyari, Nazanin Golbamaki; Maffei Facino, Roberto

    2008-07-14

    The aim of this work was to establish an analytical method for identifying the botanical origin of honey, as an alternative to conventional melissopalynological, organoleptic and instrumental methods (gas-chromatography coupled to mass spectrometry (GC-MS), high-performance liquid chromatography HPLC). The procedure is based on the (1)H nuclear magnetic resonance (NMR) profile coupled, when necessary, with electrospray ionisation-mass spectrometry (ESI-MS) and two-dimensional NMR analyses of solid-phase extraction (SPE)-purified honey samples, followed by chemometric analyses. Extracts of 44 commercial Italian honeys from 20 different botanical sources were analyzed. Honeydew, chestnut and linden honeys showed constant, specific, well-resolved resonances, suitable for use as markers of origin. Honeydew honey contained the typical resonances of an aliphatic component, very likely deriving from the plant phloem sap or excreted into it by sap-sucking aphids. Chestnut honey contained the typical signals of kynurenic acid and some structurally related metabolite. In linden honey the (1)H NMR profile gave strong signals attributable to the mono-terpene derivative cyclohexa-1,3-diene-1-carboxylic acid (CDCA) and to its 1-O-beta-gentiobiosyl ester (CDCA-GBE). These markers were not detectable in the other honeys, except for the less common nectar honey from rosa mosqueta. We compared and analyzed the data by multivariate techniques. Principal component analysis found different clusters of honeys based on the presence of these specific markers. The results, although obviously only preliminary, suggest that the (1)H NMR profile (with HPLC-MS analysis when necessary) can be used as a reference framework for identifying the botanical origin of honey.

  12. Micellar modified spectrophotometric determination of nitrobenzenes based upon reduction with tin(II), diazotisation and coupling with the Bratton-Marshall reagent.

    PubMed

    Escrig-Tena, I; Alvarez Rodríguez, L; Esteve-Romero, J; García-Alvarez-Coque, M C

    1998-09-01

    Nitrobenzenes, such as the antibiotic chloramphenicol, the vasodilator nicardipine, and the herbicides dinitramin, dinobuton, fenitrothion, methylparathion, oxyfluorfen, parathion, pendimethalin, quintozene, and trifluralin, were determined by using a spectrophotometric method in the visible region (540 nm). The method was based on the reduction of the nitrobenzenes to arylamines with tin(II) chloride, diazotisation of the arylamines and coupling of the diazonium ions with the Bratton-Marshall reagent. The two latter reactions were performed in a micellar medium of sodium dodecyl sulphate. The linear calibration range was 2x10(-6) to 7x10(-5) M (r>0.999), with limits of detection in the 10(-7) M level, which is 2-6 fold lower with respect to the corresponding spectrophotometric procedure in non-micellar medium. The procedure was applied to the analysis of the compounds in commercial preparations (pharmaceuticals and herbicide formulations) and in water samples, with good recoveries.

  13. Chip-based nanoflow high performance liquid chromatography coupled to mass spectrometry for profiling of soybean flavonoids.

    PubMed

    Chang, Yuwei; Zhao, Chunxia; Wu, Zeming; Zhou, Jia; Zhao, Sumin; Lu, Xin; Xu, Guowang

    2012-08-01

    In this work a chip-based nano HPLC coupled MS (HPLC-chip/MS) method with a simple sample preparation procedure was developed for the flavonoid profiling of soybean. The analytical properties of the method including the linearity (R(2) , 0.992-0.995), reproducibility (RSD, 1.50-7.66%), intraday precision (RSD, 1.41-5.14%) and interday precision (RSD, 2.76-16.90%) were satisfactory. Compared with the conventional HPLC/MS method, a fast extraction and analysis procedure was applied and more flavonoids were detected in a single run. Additionally, 13 flavonoids in soybean seed were identified for the first time. The method was then applied to the profiling of six varieties of soybean sowed at the same place. A clear discrimination was observed among different cultivars, three isoflavones, accounting for nearly 80% of total flavonoid contents, were found increased in the spring soybeans compared with the summer cultivars. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Determination of 17 kinds of banned organochlorine pesticides in water by activated carbon fiber-solid phase microextraction coupled with GC-MS.

    PubMed

    Sun, Tonghua; Jia, Jinping; Zhong, Dengjie; Wang, Yalin

    2006-02-01

    Activated carbon fiber (ACF) as extraction fiber for solid-phase microextraction (SPME) and its application for the analysis of banned organochlorine pesticides (OCPs) were investigated. Firstly, ACF was activated by different concentration of zinc chloride, which indicated that ACF activated by 60% zinc chloride had a reasonable specific surface area, pore volume and pore distribution. Secondly, the parameters for the ACF-SPME procedure, the adsorption and desorption conditions, were also optimized when coupled with gas chromatography-mass spectrometry (GC-MS). Thirdly, the ACF-SPME was used to analyze 17 kinds of OCPs in water. The linearity of most pesticides was found to be between 0.2 and 50 microg/l with GC-MS under the selected ion monitoring (SIM) acquisition mode. The limits of detection (LOD) at the sub microg/l were obtained. The work demonstrated here shows that ACF is a promising alternative for the SPME procedure.

  15. Estimation of synthetic flood design hydrographs using a distributed rainfall-runoff model coupled with a copula-based single storm rainfall generator

    NASA Astrophysics Data System (ADS)

    Candela, A.; Brigandì, G.; Aronica, G. T.

    2014-07-01

    In this paper a procedure to derive synthetic flood design hydrographs (SFDH) using a bivariate representation of rainfall forcing (rainfall duration and intensity) via copulas, which describes and models the correlation between two variables independently of the marginal laws involved, coupled with a distributed rainfall-runoff model, is presented. Rainfall-runoff modelling (R-R modelling) for estimating the hydrological response at the outlet of a catchment was performed by using a conceptual fully distributed procedure based on the Soil Conservation Service - Curve Number method as an excess rainfall model and on a distributed unit hydrograph with climatic dependencies for the flow routing. Travel time computation, based on the distributed unit hydrograph definition, was performed by implementing a procedure based on flow paths, determined from a digital elevation model (DEM) and roughness parameters obtained from distributed geographical information. In order to estimate the primary return period of the SFDH, which provides the probability of occurrence of a hydrograph flood, peaks and flow volumes obtained through R-R modelling were treated statistically using copulas. Finally, the shapes of hydrographs have been generated on the basis of historically significant flood events, via cluster analysis. An application of the procedure described above has been carried out and results presented for the case study of the Imera catchment in Sicily, Italy.

  16. Comparative measurements of mineral elements in milk powders with laser-induced breakdown spectroscopy and inductively coupled plasma atomic emission spectroscopy.

    PubMed

    Lei, W Q; El Haddad, J; Motto-Ros, V; Gilon-Delepine, N; Stankova, A; Ma, Q L; Bai, X S; Zheng, L J; Zeng, H P; Yu, J

    2011-07-01

    Mineral elements contained in commercially available milk powders, including seven infant formulae and one adult milk, were analyzed with inductively coupled plasma atomic emission spectrometry (ICP-AES) and laser-induced breakdown spectroscopy (LIBS). The purpose of this work was, through a direct comparison of the analytical results, to provide an assessment of the performance of LIBS, and especially of the procedure of calibration-free LIBS (CF-LIBS), to deal with organic compounds such as milk powders. In our experiments, the matrix effect was clearly observed affecting the analytical results each time laser ablation was employed for sampling. Such effect was in addition directly observed by determining the physical parameters of the plasmas induced on the different samples. The CF-LIBS procedure was implemented to deduce the concentrations of Mg and K with Ca as the internal reference element. Quantitative analytical results with CF-LIBS were validated with ICP-AES measurements and nominal concentrations specified for commercial milks. The obtained good results with the CF-LIBS procedure demonstrate its capacity to take into account the difference in physical parameters of the plasma in the calculation of the concentrations of mineral elements, which allows a significant reduction of the matrix effect related to laser ablation. We finally discuss the way to optimize the implementation of the CF-LIBS procedure for the analysis of mineral elements in organic materials.

  17. Initialization and Predictability of a Coupled ENSO Forecast Model

    NASA Technical Reports Server (NTRS)

    Chen, Dake; Zebiak, Stephen E.; Cane, Mark A.; Busalacchi, Antonio J.

    1997-01-01

    The skill of a coupled ocean-atmosphere model in predicting ENSO has recently been improved using a new initialization procedure in which initial conditions are obtained from the coupled model, nudged toward observations of wind stress. The previous procedure involved direct insertion of wind stress observations, ignoring model feedback from ocean to atmosphere. The success of the new scheme is attributed to its explicit consideration of ocean-atmosphere coupling and the associated reduction of "initialization shock" and random noise. The so-called spring predictability barrier is eliminated, suggesting that such a barrier is not intrinsic to the real climate system. Initial attempts to generalize the nudging procedure to include SST were not successful; possible explanations are offered. In all experiments forecast skill is found to be much higher for the 1980s than for the 1970s and 1990s, suggesting decadal variations in predictability.

  18. A variationally coupled FE-BE method for elasticity and fracture mechanics

    NASA Technical Reports Server (NTRS)

    Lu, Y. Y.; Belytschko, T.; Liu, W. K.

    1991-01-01

    A new method for coupling finite element and boundary element subdomains in elasticity and fracture mechanics problems is described. The essential feature of this new method is that a single variational statement is obtained for the entire domain, and in this process the terms associated with tractions on the interfaces between the subdomains are eliminated. This provides the additional advantage that the ambiguities associated with the matching of discontinuous tractions are circumvented. The method leads to a direct procedure for obtaining the discrete equations for the coupled problem without any intermediate steps. In order to evaluate this method and compare it with previous methods, a patch test for coupled procedures has been devised. Evaluation of this variationally coupled method and other methods, such as stiffness coupling and constraint traction matching coupling, shows that this method is substantially superior. Solutions for a series of fracture mechanics problems are also reported to illustrate the effectiveness of this method.

  19. Preparation and Certification of Two New Bulk Welding Fume Reference Materials for Use in Laboratories Undertaking Analysis of Occupational Hygiene Samples

    PubMed Central

    Butler, Owen; Musgrove, Darren; Stacey, Peter

    2014-01-01

    Workers can be exposed to fume, arising from welding activities, which contain toxic metals and metalloids. Occupational hygienists need to assess and ultimately minimize such exposure risks. The monitoring of the concentration of particles in workplace air is one assessment approach whereby fume, from representative welding activities, is sampled onto a filter and returned to a laboratory for analysis. Inductively coupled plasma-atomic emission spectrometry and inductively coupled plasma-mass spectrometry are generally employed as instrumental techniques of choice for the analysis of such filter samples. An inherent difficulty, however, with inductively coupled plasma-based analytical techniques is that they typically require a sample to be presented for analysis in the form of a solution. The efficiency of the required dissolution step relies heavily upon the skill and experience of the analyst involved. A useful tool in assessing the efficacy of this dissolution step would be the availability and subsequent analysis of welding fume reference materials with stated elemental concentrations and matrices that match as closely as possible the matrix composition of welding fume samples submitted to laboratories for analysis. This article describes work undertaken at the Health and Safety Laboratory to prepare and certify two new bulk welding fume reference materials that can be routinely used by analysts to assess the performance of the digestion procedures they employ in their laboratories. PMID:24499055

  20. Preparation and certification of two new bulk welding fume reference materials for use in laboratories undertaking analysis of occupational hygiene samples.

    PubMed

    Butler, Owen; Musgrove, Darren; Stacey, Peter

    2014-01-01

    Workers can be exposed to fume, arising from welding activities, which contain toxic metals and metalloids. Occupational hygienists need to assess and ultimately minimize such exposure risks. The monitoring of the concentration of particles in workplace air is one assessment approach whereby fume, from representative welding activities, is sampled onto a filter and returned to a laboratory for analysis. Inductively coupled plasma-atomic emission spectrometry and inductively coupled plasma-mass spectrometry are generally employed as instrumental techniques of choice for the analysis of such filter samples. An inherent difficulty, however, with inductively coupled plasma-based analytical techniques is that they typically require a sample to be presented for analysis in the form of a solution. The efficiency of the required dissolution step relies heavily upon the skill and experience of the analyst involved. A useful tool in assessing the efficacy of this dissolution step would be the availability and subsequent analysis of welding fume reference materials with stated elemental concentrations and matrices that match as closely as possible the matrix composition of welding fume samples submitted to laboratories for analysis. This article describes work undertaken at the Health and Safety Laboratory to prepare and certify two new bulk welding fume reference materials that can be routinely used by analysts to assess the performance of the digestion procedures they employ in their laboratories.

  1. Evaluative methodology for comprehensive water quality management planning

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

    Dyer, H. L.

    Computer-based evaluative methodologies have been developed to provide for the analysis of coupled phenomena associated with natural resource comprehensive planning requirements. Provisions for planner/computer interaction have been included. Each of the simulation models developed is described in terms of its coded procedures. An application of the models for water quality management planning is presented; and the data requirements for each of the models are noted.

  2. Implementation of DSC model and application for analysis of field pile tests under cyclic loading

    NASA Astrophysics Data System (ADS)

    Shao, Changming; Desai, Chandra S.

    2000-05-01

    The disturbed state concept (DSC) model, and a new and simplified procedure for unloading and reloading behavior are implemented in a nonlinear finite element procedure for dynamic analysis for coupled response of saturated porous materials. The DSC model is used to characterize the cyclic behavior of saturated clays and clay-steel interfaces. In the DSC, the relative intact (RI) behavior is characterized by using the hierarchical single surface (HISS) plasticity model; and the fully adjusted (FA) behavior is modeled by using the critical state concept. The DSC model is validated with respect to laboratory triaxial tests for clay and shear tests for clay-steel interfaces. The computer procedure is used to predict field behavior of an instrumented pile subjected to cyclic loading. The predictions provide very good correlation with the field data. They also yield improved results compared to those from a HISS model with anisotropic hardening, partly because the DSC model allows for degradation or softening and interface response.

  3. Expression, Purification, and Analysis of G-Protein-Coupled Receptor Kinases

    PubMed Central

    Sterne-Marr, Rachel; Baillargeon, Alison I.; Michalski, Kevin R.; Tesmer, John J.G.

    2015-01-01

    G-protein-coupled receptor (GPCR) kinases (GRKs) were first identified based on their ability to specifically phosphorylate activated GPCRs. Although many soluble substrates have since been identified, the chief physiological role of GRKs still remains the uncoupling of GPCRs from heterotrimeric G-proteins by promoting β-arrestin binding through the phosphorylation of the receptor. It is expected that GRKs recognize activated GPCRs through a docking site that not only recognizes the active conformation of the transmembrane domain of the receptor but also stabilizes a more catalytically competent state of the kinase domain. Many of the recent gains in understanding GRK-receptor interactions have been gleaned through biochemical and structural analysis of recombinantly expressed GRKs. Described herein are current techniques and procedures being used to express, purify, and assay GRKs in both in vitro and living cells. PMID:23351749

  4. Progress in integrated-circuit horn antennas for receiver applications. Part 1: Antenna design

    NASA Technical Reports Server (NTRS)

    Eleftheriades, George V.; Ali-Ahmad, Walid Y.; Rebeiz, Gabriel M.

    1992-01-01

    The purpose of this work is to present a systematic method for the design of multimode quasi-integrated horn antennas. The design methodology is based on the Gaussian beam approach and the structures are optimized for achieving maximum fundamental Gaussian coupling efficiency. For this purpose, a hybrid technique is employed in which the integrated part of the antennas is treated using full-wave analysis, whereas the machined part is treated using an approximate method. This results in a simple and efficient design process. The developed design procedure has been applied for the design of a 20, a 23, and a 25 dB quasi-integrated horn antennas, all with a Gaussian coupling efficiency exceeding 97 percent. The designed antennas have been tested and characterized using both full-wave analysis and 90 GHz/370 GHz measurements.

  5. Stability of iterative procedures with errors for approximating common fixed points of a couple of q-contractive-like mappings in Banach spaces

    NASA Astrophysics Data System (ADS)

    Zeng, Lu-Chuan; Yao, Jen-Chih

    2006-09-01

    Recently, Agarwal, Cho, Li and Huang [R.P. Agarwal, Y.J. Cho, J. Li, N.J. Huang, Stability of iterative procedures with errors approximating common fixed points for a couple of quasi-contractive mappings in q-uniformly smooth Banach spaces, J. Math. Anal. Appl. 272 (2002) 435-447] introduced the new iterative procedures with errors for approximating the common fixed point of a couple of quasi-contractive mappings and showed the stability of these iterative procedures with errors in Banach spaces. In this paper, we introduce a new concept of a couple of q-contractive-like mappings (q>1) in a Banach space and apply these iterative procedures with errors for approximating the common fixed point of the couple of q-contractive-like mappings. The results established in this paper improve, extend and unify the corresponding ones of Agarwal, Cho, Li and Huang [R.P. Agarwal, Y.J. Cho, J. Li, N.J. Huang, Stability of iterative procedures with errors approximating common fixed points for a couple of quasi-contractive mappings in q-uniformly smooth Banach spaces, J. Math. Anal. Appl. 272 (2002) 435-447], Chidume [C.E. Chidume, Approximation of fixed points of quasi-contractive mappings in Lp spaces, Indian J. Pure Appl. Math. 22 (1991) 273-386], Chidume and Osilike [C.E. Chidume, M.O. Osilike, Fixed points iterations for quasi-contractive maps in uniformly smooth Banach spaces, Bull. Korean Math. Soc. 30 (1993) 201-212], Liu [Q.H. Liu, On Naimpally and Singh's open questions, J. Math. Anal. Appl. 124 (1987) 157-164; Q.H. Liu, A convergence theorem of the sequence of Ishikawa iterates for quasi-contractive mappings, J. Math. Anal. Appl. 146 (1990) 301-305], Osilike [M.O. Osilike, A stable iteration procedure for quasi-contractive maps, Indian J. Pure Appl. Math. 27 (1996) 25-34; M.O. Osilike, Stability of the Ishikawa iteration method for quasi-contractive maps, Indian J. Pure Appl. Math. 28 (1997) 1251-1265] and many others in the literature.

  6. Crew procedures for microwave landing system operations

    NASA Technical Reports Server (NTRS)

    Summers, Leland G.

    1987-01-01

    The objective of this study was to identify crew procedures involved in Microwave Landing System (MLS) operations and to obtain a preliminary assessment of crew workload. The crew procedures were identified for three different complements of airborne equipment coupled to an autopilot. Using these three equipment complements, crew tasks were identified for MLS approaches and precision departures and compared to an ILS approach and a normal departure. Workload comparisons between the approaches and departures were made by using a task-timeline analysis program that obtained workload indexes, i.e., the radio of time required to complete the tasks to the time available. The results showed an increase in workload for the MLS scenario for one of the equipment complements. However, even this workload was within the capacity of two crew members.

  7. Organic cattle products: Authenticating production origin by analysis of serum mineral content.

    PubMed

    Rodríguez-Bermúdez, Ruth; Herrero-Latorre, Carlos; López-Alonso, Marta; Losada, David E; Iglesias, Roberto; Miranda, Marta

    2018-10-30

    An authentication procedure for differentiating between organic and non-organic cattle production on the basis of analysis of serum samples has been developed. For this purpose, the concentrations of fourteen mineral elements (As, Cd, Co, Cr, Cu, Fe, Hg, I, Mn, Mo, Ni, Pb, Se and Zn) in 522 serum samples from cows (341 from organic farms and 181 from non-organic farms), determined by inductively coupled plasma spectrometry, were used. The chemical information provided by serum analysis was employed to construct different pattern recognition classification models that predict the origin of each sample: organic or non-organic class. Among all classification procedures considered, the best results were obtained with the decision tree C5.0, Random Forest and AdaBoost neural networks, with hit levels close to 90% for both production types. The proposed method, involving analysis of serum samples, provided rapid, accurate in vivo classification of cattle according to organic and non-organic production type. Copyright © 2018 Elsevier Ltd. All rights reserved.

  8. Investigation of a Parabolic Iterative Solver for Three-dimensional Configurations

    NASA Technical Reports Server (NTRS)

    Nark, Douglas M.; Watson, Willie R.; Mani, Ramani

    2007-01-01

    A parabolic iterative solution procedure is investigated that seeks to extend the parabolic approximation used within the internal propagation module of the duct noise propagation and radiation code CDUCT-LaRC. The governing convected Helmholtz equation is split into a set of coupled equations governing propagation in the positive and negative directions. The proposed method utilizes an iterative procedure to solve the coupled equations in an attempt to account for possible reflections from internal bifurcations, impedance discontinuities, and duct terminations. A geometry consistent with the NASA Langley Curved Duct Test Rig is considered and the effects of acoustic treatment and non-anechoic termination are included. Two numerical implementations are studied and preliminary results indicate that improved accuracy in predicted amplitude and phase can be obtained for modes at a cut-off ratio of 1.7. Further predictions for modes at a cut-off ratio of 1.1 show improvement in predicted phase at the expense of increased amplitude error. Possible methods of improvement are suggested based on analytic and numerical analysis. It is hoped that coupling the parabolic iterative approach with less efficient, high fidelity finite element approaches will ultimately provide the capability to perform efficient, higher fidelity acoustic calculations within complex 3-D geometries for impedance eduction and noise propagation and radiation predictions.

  9. Design optimization of natural laminar flow bodies in compressible flow

    NASA Technical Reports Server (NTRS)

    Dodbele, Simha S.

    1992-01-01

    An optimization method has been developed to design axisymmetric body shapes such as fuselages, nacelles, and external fuel tanks with increased transition Reynolds numbers in subsonic compressible flow. The new design method involves a constraint minimization procedure coupled with analysis of the inviscid and viscous flow regions and linear stability analysis of the compressible boundary-layer. In order to reduce the computer time, Granville's transition criterion is used to predict boundary-layer transition and to calculate the gradients of the objective function, and linear stability theory coupled with the e(exp n)-method is used to calculate the objective function at the end of each design iteration. Use of a method to design an axisymmetric body with extensive natural laminar flow is illustrated through the design of a tiptank of a business jet. For the original tiptank, boundary layer transition is predicted to occur at a transition Reynolds number of 6.04 x 10(exp 6). For the designed body shape, a transition Reynolds number of 7.22 x 10(exp 6) is predicted using compressible linear stability theory coupled with the e(exp n)-method.

  10. Brain-to-brain coupling during handholding is associated with pain reduction.

    PubMed

    Goldstein, Pavel; Weissman-Fogel, Irit; Dumas, Guillaume; Shamay-Tsoory, Simone G

    2018-03-13

    The mechanisms underlying analgesia related to social touch are not clear. While recent research highlights the role of the empathy of the observer to pain relief in the target, the contribution of social interaction to analgesia is unknown. The current study examines brain-to-brain coupling during pain with interpersonal touch and tests the involvement of interbrain synchrony in pain alleviation. Romantic partners were assigned the roles of target (pain receiver) and observer (pain observer) under pain-no-pain and touch-no-touch conditions concurrent with EEG recording. Brain-to-brain coupling in alpha-mu band (8-12 Hz) was estimated by a three-step multilevel analysis procedure based on running window circular correlation coefficient and post hoc power of the findings was calculated using simulations. Our findings indicate that hand-holding during pain administration increases brain-to-brain coupling in a network that mainly involves the central regions of the pain target and the right hemisphere of the pain observer. Moreover, brain-to-brain coupling in this network was found to correlate with analgesia magnitude and observer's empathic accuracy. These findings indicate that brain-to-brain coupling may be involved in touch-related analgesia.

  11. Determination of stoichiometry and concentration of trace elements in thin BaxSr1-xTiO3 perovskite layers.

    PubMed

    Becker, J S; Boulyga, S F

    2001-07-01

    This paper describes an analytical procedure for determining the stoichiometry of BaxSr1-xTiO3 perovskite layers using inductively coupled plasma mass spectrometry (ICP-MS). The analytical results of mass spectrometry measurements are compared to those of X-ray fluorescence analysis (XRF). The performance and the limits of solid-state mass spectrometry analytical methods for the surface analysis of thin BaxSr1-xTiO3 perovskite layers sputtered neutral mass spectrometry (SNMS)--are investigated and discussed.

  12. Estimating acreage by double sampling using LANDSAT data

    NASA Technical Reports Server (NTRS)

    Pont, F.; Horwitz, H.; Kauth, R. (Principal Investigator)

    1982-01-01

    Double sampling techniques employing LANDSAT data for estimating the acreage of corn and soybeans was investigated and evaluated. The evaluation was based on estimated costs and correlations between two existing procedures having differing cost/variance characteristics, and included consideration of their individual merits when coupled with a fictional 'perfect' procedure of zero bias and variance. Two features of the analysis are: (1) the simultaneous estimation of two or more crops; and (2) the imposition of linear cost constraints among two or more types of resource. A reasonably realistic operational scenario was postulated. The costs were estimated from current experience with the measurement procedures involved, and the correlations were estimated from a set of 39 LACIE-type sample segments located in the U.S. Corn Belt. For a fixed variance of the estimate, double sampling with the two existing LANDSAT measurement procedures can result in a 25% or 50% cost reduction. Double sampling which included the fictional perfect procedure results in a more cost effective combination when it is used with the lower cost/higher variance representative of the existing procedures.

  13. Purification and Concentration of Nanoparticles Using Diafiltration: Scientific Operating Procedure Series: SOP-P-1

    DTIC Science & Technology

    2015-07-01

    Coupled Plasma Mass Spectroscopy (ICP-MS) analysis If the nanoparticle of choice is a metal such as gold or silver , an aliquot can be measured using USEPA...ER D C/ EL S R- 15 -4 Environmental Consequences of Nanotechnologies Purification and Concentration of Nanoparticles Using...Environmental Consequences of Nanotechnologies ERDC/EL SR-15-4 July 2015 Purification and Concentration of Nanoparticles Using Diafiltration

  14. In-Situ Analysis System for Correlated Electron Heterostructures

    DTIC Science & Technology

    2014-11-20

    semiconductor materials and elemental metals. Specifically, films must be pristine and ideally remain intact during analytical procedure [1]. In addition...involves a rather complex engineering design described below. A laser heater ! (a) ! (b) ! 1 Figure 1. (a) An empty Neocera’s sample holder rack...the center of the analytical chamber. (fiber-coupled, high-power 808 nm diode laser JOLD -100-CPXF-2P, Jenoptik), is free of such limitations because

  15. Electromagnetic pulse coupling through an aperture into a two-parallel-plate region

    NASA Technical Reports Server (NTRS)

    Rahmat-Samii, Y.

    1978-01-01

    Analysis of electromagnetic-pulse (EMP) penetration via apertures into cavities is an important study in designing hardened systems. In this paper, an integral equation procedure is developed for determining the frequency and consequently the time behavior of the field inside a two-parallel-plate region excited through an aperture by an EMP. Some discussion of the numerical results is also included in the paper for completeness.

  16. Mathematical model with autoregressive process for electrocardiogram signals

    NASA Astrophysics Data System (ADS)

    Evaristo, Ronaldo M.; Batista, Antonio M.; Viana, Ricardo L.; Iarosz, Kelly C.; Szezech, José D., Jr.; Godoy, Moacir F. de

    2018-04-01

    The cardiovascular system is composed of the heart, blood and blood vessels. Regarding the heart, cardiac conditions are determined by the electrocardiogram, that is a noninvasive medical procedure. In this work, we propose autoregressive process in a mathematical model based on coupled differential equations in order to obtain the tachograms and the electrocardiogram signals of young adults with normal heartbeats. Our results are compared with experimental tachogram by means of Poincaré plot and dentrended fluctuation analysis. We verify that the results from the model with autoregressive process show good agreement with experimental measures from tachogram generated by electrical activity of the heartbeat. With the tachogram we build the electrocardiogram by means of coupled differential equations.

  17. Determination of elemental content off rocks by laser ablation inductively coupled plasma mass spectrometry

    USGS Publications Warehouse

    Lichte, F.E.

    1995-01-01

    A new method of analysis for rocks and soils is presented using laser ablation inductively coupled plasma mass spectrometry. It is based on a lithium borate fusion and the free-running mode of a Nd/YAG laser. An Ar/N2 sample gas improves sensitivity 7 ?? for most elements. Sixty-three elements are characterized for the fusion, and 49 elements can be quantified. Internal standards and isotopic spikes ensure accurate results. Limits of detection are 0.01 ??g/g for many trace elements. Accuracy approaches 5% for all elements. A new quality assurance procedure is presented that uses fundamental parameters to test relative response factors for the calibration.

  18. Gravity quantized: Loop quantum gravity with a scalar field

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

    Domagala, Marcin; Kaminski, Wojciech; Giesel, Kristina

    2010-11-15

    ...''but we do not have quantum gravity.'' This phrase is often used when analysis of a physical problem enters the regime in which quantum gravity effects should be taken into account. In fact, there are several models of the gravitational field coupled to (scalar) fields for which the quantization procedure can be completed using loop quantum gravity techniques. The model we present in this paper consists of the gravitational field coupled to a scalar field. The result has similar structure to the loop quantum cosmology models, except that it involves all the local degrees of freedom of the gravitational fieldmore » because no symmetry reduction has been performed at the classical level.« less

  19. Convergent close coupling versus the generalized Sturmian function approach: Wave-function analysis

    NASA Astrophysics Data System (ADS)

    Ambrosio, M.; Mitnik, D. M.; Gasaneo, G.; Randazzo, J. M.; Kadyrov, A. S.; Fursa, D. V.; Bray, I.

    2015-11-01

    We compare the physical information contained in the Temkin-Poet (TP) scattering wave function representing electron-impact ionization of hydrogen, calculated by the convergent close-coupling (CCC) and generalized Sturmian function (GSF) methodologies. The idea is to show that the ionization cross section can be extracted from the wave functions themselves. Using two different procedures based on hyperspherical Sturmian functions we show that the transition amplitudes contained in both GSF and CCC scattering functions lead to similar single-differential cross sections. The single-continuum channels were also a subject of the present studies, and we show that the elastic and excitation amplitudes are essentially the same as well.

  20. A high-throughput solid-phase extraction microchip combined with inductively coupled plasma-mass spectrometry for rapid determination of trace heavy metals in natural water.

    PubMed

    Shih, Tsung-Ting; Hsieh, Cheng-Chuan; Luo, Yu-Ting; Su, Yi-An; Chen, Ping-Hung; Chuang, Yu-Chen; Sun, Yuh-Chang

    2016-04-15

    Herein, a hyphenated system combining a high-throughput solid-phase extraction (htSPE) microchip with inductively coupled plasma-mass spectrometry (ICP-MS) for rapid determination of trace heavy metals was developed. Rather than performing multiple analyses in parallel for the enhancement of analytical throughput, we improved the processing speed for individual samples by increasing the operation flow rate during SPE procedures. To this end, an innovative device combining a micromixer and a multi-channeled extraction unit was designed. Furthermore, a programmable valve manifold was used to interface the developed microchip and ICP-MS instrumentation in order to fully automate the system, leading to a dramatic reduction in operation time and human error. Under the optimized operation conditions for the established system, detection limits of 1.64-42.54 ng L(-1) for the analyte ions were achieved. Validation procedures demonstrated that the developed method could be satisfactorily applied to the determination of trace heavy metals in natural water. Each analysis could be readily accomplished within just 186 s using the established system. This represents, to the best of our knowledge, an unprecedented speed for the analysis of trace heavy metal ions. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. 30 CFR 57.14215 - Coupling or uncoupling cars.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Coupling or uncoupling cars. 57.14215 Section... and Equipment Safety Practices and Operational Procedures § 57.14215 Coupling or uncoupling cars. Prior to coupling or uncoupling cars manually, trains shall be brought to a complete stop, and then...

  2. 30 CFR 57.14215 - Coupling or uncoupling cars.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Coupling or uncoupling cars. 57.14215 Section... and Equipment Safety Practices and Operational Procedures § 57.14215 Coupling or uncoupling cars. Prior to coupling or uncoupling cars manually, trains shall be brought to a complete stop, and then...

  3. 30 CFR 56.14215 - Coupling or uncoupling cars.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Coupling or uncoupling cars. 56.14215 Section... Equipment Safety Practices and Operational Procedures § 56.14215 Coupling or uncoupling cars. Prior to coupling or uncoupling cars manually, trains shall be brought to a complete stop, and then moved at minimum...

  4. 30 CFR 56.14215 - Coupling or uncoupling cars.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Coupling or uncoupling cars. 56.14215 Section... Equipment Safety Practices and Operational Procedures § 56.14215 Coupling or uncoupling cars. Prior to coupling or uncoupling cars manually, trains shall be brought to a complete stop, and then moved at minimum...

  5. 30 CFR 56.14215 - Coupling or uncoupling cars.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Coupling or uncoupling cars. 56.14215 Section... Equipment Safety Practices and Operational Procedures § 56.14215 Coupling or uncoupling cars. Prior to coupling or uncoupling cars manually, trains shall be brought to a complete stop, and then moved at minimum...

  6. 30 CFR 56.14215 - Coupling or uncoupling cars.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Coupling or uncoupling cars. 56.14215 Section... Equipment Safety Practices and Operational Procedures § 56.14215 Coupling or uncoupling cars. Prior to coupling or uncoupling cars manually, trains shall be brought to a complete stop, and then moved at minimum...

  7. 30 CFR 57.14215 - Coupling or uncoupling cars.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Coupling or uncoupling cars. 57.14215 Section... and Equipment Safety Practices and Operational Procedures § 57.14215 Coupling or uncoupling cars. Prior to coupling or uncoupling cars manually, trains shall be brought to a complete stop, and then...

  8. 30 CFR 57.14215 - Coupling or uncoupling cars.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Coupling or uncoupling cars. 57.14215 Section... and Equipment Safety Practices and Operational Procedures § 57.14215 Coupling or uncoupling cars. Prior to coupling or uncoupling cars manually, trains shall be brought to a complete stop, and then...

  9. 30 CFR 57.14215 - Coupling or uncoupling cars.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Coupling or uncoupling cars. 57.14215 Section... and Equipment Safety Practices and Operational Procedures § 57.14215 Coupling or uncoupling cars. Prior to coupling or uncoupling cars manually, trains shall be brought to a complete stop, and then...

  10. 30 CFR 56.14215 - Coupling or uncoupling cars.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Coupling or uncoupling cars. 56.14215 Section... Equipment Safety Practices and Operational Procedures § 56.14215 Coupling or uncoupling cars. Prior to coupling or uncoupling cars manually, trains shall be brought to a complete stop, and then moved at minimum...

  11. Coupled Thermo-Electro-Magneto-Elastic Response of Smart Stiffened Panels

    NASA Technical Reports Server (NTRS)

    Bednarcyk, Brett A.; Yarrington, Phillip W.

    2009-01-01

    This report documents the procedures developed for incorporating smart laminate and panel analysis capabilities within the HyperSizer aerospace structural sizing software package. HyperSizer analyzes stiffened panels composed of arbitrary composite laminates through stiffener homogenization, or "smearing " techniques. The result is an effective constitutive equation for the stiffened panel that is suitable for use in a full vehicle-scale finite element analysis via MSC/NASTRAN. The existing thermo-elastic capabilities of HyperSizer have herein been extended to include coupled thermo-electro-magneto-elastic analysis capabilities. This represents a significant step toward realization of design tools capable of guiding the development of the next generation of smart aerospace structures. Verification results are presented that compare the developed smart HyperSizer capability with an ABAQUS piezoelectric finite element solution for a facesheet-flange combination. These results show good agreement between HyperSizer and ABAQUS, but highlight a limitation of the HyperSizer formulation in that constant electric field components are assumed.

  12. Pregnancy Outcome of Home Intravaginal Insemination in Couples with Unconsummated Marriage

    PubMed Central

    Banerjee, Kaberi; Singla, Bhavana

    2017-01-01

    Unconsummated marriage are mainly due to vaginismus or erectile dysfunction. They contribute to about 5% of couples in an infertility clinic. Their incidence is increasing in the metropolitan cities because of stressful lifestyles. Many of couples are advised intrauterine insemination as fertility treatment. However, home insemination is a simple, inexpensive and effective way of achieving pregnancy in such couples. We present the first study to document pregnancy rates of artificial home intravaginal insemination in couples with unconsummated marriage. Aim: To assess the pregnancy rates (PR) with intravaginal insemination (IVI) by couples with nonconsummation of marriage. Setting: Infertility outpatient clinic, New Delhi. Design: Retrospective analysis. Material and Methods: 55 couples of unconsummated marriage were evaluated in a period of two years. Group 1 contains 29 patients aged between 20 to 33 years; group 2 includes 14 patients aged between 33 to 36 years and group 3 includes 12 patients aged more than 36 years. Result(s): Unconsummated marriage was caused by vaginismus in 67% of the cases, erectile dysfunction in 22% and premature ejaculation in 11%. Clinical pregnancy rate was 69% in group 1; 43% in group 2 and 25% in group 3 after 6 cycles of AI. Conclusion(s): Intravaginal insemination is a simple, short, economical, effective and painless procedure for conception in nonconsummation of marriage. PMID:29430157

  13. Content of trace elements and chromium speciation in Neem powder and tea infusions.

    PubMed

    Novotnik, Breda; Zuliani, Tea; Ščančar, Janez; Milačič, Radmila

    2015-01-01

    Total concentrations of selected trace elements in Neem powder and in Neem tea were determined by inductively coupled plasma mass spectrometry (ICP-MS). The data revealed that despite high total concentrations of the potentially toxic elements Al and Ni in Neem powder, their amounts dissolved in Neem tea were low. Total concentrations of the other toxic elements Pb, As and Cd were also very low and do not represent a health hazard. In contrast, total concentrations of the essential elements Fe, Cu, Zn, Se Mo and Cr in Neem powder were high and also considerable in Neem tea. Consuming one cup of Neem tea (2g per 200 mL of water) covers the recommended daily intakes for Cr and Se and represents an important source of Mo and Cu. Speciation analysis of Cr by high performance liquid chromatography (HPLC) coupled to ICP-MS with the use of enriched Cr isotopic tracers to follow species interconversions during the analytical procedure demonstrated that toxic Cr(VI) was not present either in Neem powder or in Neem tea. Its concentrations were below the limits of detection of the HPLC-ICP-MS procedure applied. The speciation analysis data confirmed that even Cr(VI) was added, it was rapidly reduced by the presence of antioxidants in Neem leaves. By the use of enriched Cr isotopic spike solutions it was also demonstrated that for obtaining reliable analytical data it is essential to apply the extraction procedures which prevent Cr species interconversions, or to correct for species transformation. Copyright © 2015 Elsevier GmbH. All rights reserved.

  14. Solid-phase microextraction coupled with high-performance liquid chromatography for the determination of phenylurea herbicides in aqueous samples.

    PubMed

    Lin, Hsin-Hang; Sung, Yu-Hsiang; Huang, Shang-Da

    2003-09-12

    Solid-phase microextraction coupled with high-performance liquid chromatography was successfully applied to the analysis of nine phenylurea herbicides (metoxuron, monuron, chlorotoluron, isoproturon, monolinuron, metobromuron, buturon, linuron, and chlorbromuron). Polydimethylsiloxane-divinylbenzene (PDMS-DVB, 60 microm) and Carbowax-templated resin (CW-TPR, 50 microm) fibers were selected from four commercial fibers for further study because of their better extraction efficiencies. The parameters of the desorption procedure were studied and optimized. The effects of the properties of analytes and fiber coatings, carryover, duration and temperature of absorption, pH, organic solvent and ionic strength of samples were also investigated. External calibration with an aqueous standard can be used for the analysis of environmental samples (lake water) using either PDMS-DVB or CW-TPR fibers. Good precisions (1.0-5.9%) are achieved for this method, and the detection limits are at the level of 0.5-5.1 ng/ml.

  15. Analysis of trace metals in water by inductively coupled plasma emission spectrometry using sodium dibenzyldithiocarbamate for preconcentration

    USGS Publications Warehouse

    Smith, C.L.; Motooka, J.M.; Willson, W.R.

    1984-01-01

    Since concentrations of trace elements in most natural waters seldom exceed the ??g/L level, analysis of trace elements in natural waters by inductively coupled plasma emission spectrometry (ICP) requires a preconcentration procedure. The elements Ag, Bi, Cd, Co, Cu, Fe, Mo, Ni, Pb, Sn, V, W, and Zn were separated and concentrated from 500 mL of water by coprecipitating them with sodium dibenzyldithiocarbamate (NaDBDTC) using nickel or silver as a carrier. The precipitated trace elements were collected on a membrane filter, redissolved from the filter with hot nitric and hydrochloric acids, and analyzed using ICP. Recoveries for all the trace elements except tungsten exceeded 80%. Coprecipitation of trace elements with NaDBDTC eliminated the use of difficult-to-inject organic solvents, and NaDBDTC coprecipitated a wider array of trace elements than ammoniumpyrrolidinedithiocarbamate (APDC), another commonly used coprecipitate.

  16. Rapid screening of pharmaceutical drugs using thermal desorption - SALDI mass spectrometry

    NASA Astrophysics Data System (ADS)

    Grechnikov, A. A.; Kubasov, A. E.; Georgieva, V. B.; Borodkov, A. S.; Nikiforov, S. M.; Simanovsky, Ya O.; Alimpiev, S. S.

    2012-12-01

    A novel approach to the rapid screening of pharmaceutical drugs by surface assisted laser desorption-ionization (SALDI) mass spectrometry with the rotating ball interface coupled with temperature programmed thermal desorption has been developed. Analytes were thermally desorbed and deposited onto the surface of amorphous silicon substrate attached to the rotating ball. The ball was rotated and the deposited analytes were analyzed using SALDI. The effectiveness of coupling SALDI mass spectrometry with thermal desorption was evaluated by the direct and rapid analysis of tablets containing lidocaine, diphenhydramine and propranolol without any sample pretreatment. The overall duration of the screening procedure was 30÷40 sec. Real urine samples were studied for drug analysis. It is shown that with simple preparation steps, urine samples can be quantitatively analyzed using the proposed technique with the detection limits in the range of 0.2÷0.5 ng/ml.

  17. Computational fluid-structure interaction: methods and application to a total cavopulmonary connection

    NASA Astrophysics Data System (ADS)

    Bazilevs, Yuri; Hsu, M.-C.; Benson, D. J.; Sankaran, S.; Marsden, A. L.

    2009-12-01

    The Fontan procedure is a surgery that is performed on single-ventricle heart patients, and, due to the wide range of anatomies and variations among patients, lends itself nicely to study by advanced numerical methods. We focus on a patient-specific Fontan configuration, and perform a fully coupled fluid-structure interaction (FSI) analysis of hemodynamics and vessel wall motion. To enable physiologically realistic simulations, a simple approach to constructing a variable-thickness blood vessel wall description is proposed. Rest and exercise conditions are simulated and rigid versus flexible vessel wall simulation results are compared. We conclude that flexible wall modeling plays an important role in predicting quantities of hemodynamic interest in the Fontan connection. To the best of our knowledge, this paper presents the first three-dimensional patient-specific fully coupled FSI analysis of a total cavopulmonary connection that also includes large portions of the pulmonary circulation.

  18. Quantitative validation of an air-coupled ultrasonic probe model by Interferometric laser tomography

    NASA Astrophysics Data System (ADS)

    Revel, G. M.; Pandarese, G.; Cavuto, A.

    2012-06-01

    The present paper describes the quantitative validation of a finite element (FE) model of the ultrasound beam generated by an air coupled non-contact ultrasound transducer. The model boundary conditions are given by vibration velocities measured by laser vibrometry on the probe membrane. The proposed validation method is based on the comparison between the simulated 3D pressure field and the pressure data measured with interferometric laser tomography technique. The model details and the experimental techniques are described in paper. The analysis of results shows the effectiveness of the proposed approach and the possibility to quantitatively assess and predict the generated acoustic pressure field, with maximum discrepancies in the order of 20% due to uncertainty effects. This step is important for determining in complex problems the real applicability of air-coupled probes and for the simulation of the whole inspection procedure, also when the component is designed, so as to virtually verify its inspectability.

  19. Gender differences in coping with infertility: a meta-analysis.

    PubMed

    Jordan, C; Revenson, T A

    1999-08-01

    Infertility is a stressor that affects both husbands and wives. The literature suggests that infertility is more stressful for women, although most studies have not included men/husbands. If the experience of infertility is different for women and men, the next question is whether women and men cope differently. Meta-analytic procedures were used to review the empirical evidence (1966-1995) on gender differences in coping with infertility among heterosexual married couples; all studies used a standardized coping measure [The Ways of Coping Checklist-Revised (Folkman et al., 1986)]. Significant gender differences were found for half the strategies studied: Women used the strategies of Seeking Social Support, Escape-Avoidance, Planful Problem-Solving, and Positive Reappraisal to a greater degree than their partners. The findings suggest that coping at both the individual and the couple level be considered in the treatment of infertile couples and that gender be considered before planning an intervention.

  20. Metrological approach to quantitative analysis of clinical samples by LA-ICP-MS: A critical review of recent studies.

    PubMed

    Sajnóg, Adam; Hanć, Anetta; Barałkiewicz, Danuta

    2018-05-15

    Analysis of clinical specimens by imaging techniques allows to determine the content and distribution of trace elements on the surface of the examined sample. In order to obtain reliable results, the developed procedure should be based not only on the properly prepared sample and performed calibration. It is also necessary to carry out all phases of the procedure in accordance with the principles of chemical metrology whose main pillars are the use of validated analytical methods, establishing the traceability of the measurement results and the estimation of the uncertainty. This review paper discusses aspects related to sampling, preparation and analysis of clinical samples by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) with emphasis on metrological aspects, i.e. selected validation parameters of the analytical method, the traceability of the measurement result and the uncertainty of the result. This work promotes the introduction of metrology principles for chemical measurement with emphasis to the LA-ICP-MS which is the comparative method that requires studious approach to the development of the analytical procedure in order to acquire reliable quantitative results. Copyright © 2018 Elsevier B.V. All rights reserved.

  1. Assessing the extent, stability, purity and properties of silanised detonation nanodiamond

    NASA Astrophysics Data System (ADS)

    Duffy, Emer; Mitev, Dimitar P.; Thickett, Stuart C.; Townsend, Ashley T.; Paull, Brett; Nesterenko, Pavel N.

    2015-12-01

    The functionalisation of nanodiamond is a key step in furthering its application in areas such as surface coatings, drug delivery, bio imaging and other biomedical avenues. Accordingly, analytical methods for the detailed characterisation of functionalised nano-material are of great importance. This work presents an alternative approach for the elemental analysis of zero-dimensional nanocarbons, specifically detonation nanodiamond (DND) following purification and functionalisation procedures. There is a particular emphasis on the presence of silicon, both for the purified DND and after its functionalisation with silanes. Five different silylation procedures for purified DND were explored and assessed quantitatively using inductively coupled plasma-mass spectrometry (ICP-MS) for analysis of dilute suspensions. A maximum Si loading of 29,300 μg g-1 on the DND was achieved through a combination of silylating reagents. The presence of 28 other elements in the DND materials was also quantified by ICP-MS. The characterisation of Si-bond formation was supported by FTIR and XPS evaluation of relevant functional groups. The thermal stability of the silylated DND was examined by thermogravimetric analysis. Improved particle size distribution and dispersion stability resulted from the silylation procedure, as confirmed by dynamic light scattering and capillary zone electrophoresis.

  2. Simulated E-Bomb Effects on Electronically Equipped Targets

    DTIC Science & Technology

    2009-09-01

    coupling model program (CEMPAT), pursuing a feasible geometry of attack, practical antennas, best coupling approximations of ground conductivity and...procedure to determine these possible effects is to estimate the electromagnetic coupling from first principles and simulations using a coupling model ...Applications .................................... 16 B. SYSTEM OF INTEREST MODEL AS A TARGET ............................. 16 1. Shielding Methods, as

  3. NHEXAS PHASE I ARIZONA STUDY--STANDARD OPERATING PROCEDURE FOR OPERATION, CALIBRATION AND MAINTENANCE OF THE JOBIN-YVON MODEL 70 INDUCTIVELY COUPLED PLASMA ATOMIC ABSORPTION SPECTROMETER (BCO-L-7.1)

    EPA Science Inventory

    The purpose of this SOP is to detail the operation and maintenance of an Instruments, SA Inc., Jobin-Yvon Model 70 (JY-70) inductively coupled plasma atomic emissions spectrometry (ICP-AES). This procedure was followed to ensure consistent data retrieval during the Arizona NHEXA...

  4. Determination of the purity of valine by isocratic liquid chromatography coupled with charged aerosol detection (CAD).

    PubMed

    Lodi, A; Angus, M; Nap, C J; Skellern, G; Nicolas, A

    2015-01-01

    A liquid chromatography coupled with charged aerosol detection (LC-CAD) procedure; capable of separating and quantifying the most common impurities of valine at levels as low as 0.05 per cent (m/m), has been developed. The procedure is simple (isocratic), rapid, linear, sensitive and repeatable. It employs a widely available and inexpensive stationary phase (C18).

  5. The Linear Parameters and the Decoupling Matrix for Linearly Coupled Motion in 6 Dimensional Phase Space

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

    Parzen, George

    It will be shown that starting from a coordinate system where the 6 phase space coordinates are linearly coupled, one can go to a new coordinate system, where the motion is uncoupled, by means of a linear transformation. The original coupled coordinates and the new uncoupled coordinates are related by a 6 x 6 matrix, R. R will be called the decoupling matrix. It will be shown that of the 36 elements of the 6 x 6 decoupling matrix R, only 12 elements are independent. This may be contrasted with the results for motion in 4- dimensional phase space, wheremore » R has 4 independent elements. A set of equations is given from which the 12 elements of R can be computed from the one period transfer matrix. This set of equations also allows the linear parameters, the β i,α i, i = 1, 3, for the uncoupled coordinates, to be computed from the one period transfer matrix. An alternative procedure for computing the linear parameters,β i,α i, i = 1, 3, and the 12 independent elements of the decoupling matrix R is also given which depends on computing the eigenvectors of the one period transfer matrix. These results can be used in a tracking program, where the one period transfer matrix can be computed by multiplying the transfer matrices of all the elements in a period, to compute the linear parameters α i and β i, i = 1, 3, and the elements of the decoupling matrix R. The procedure presented here for studying coupled motion in 6-dimensional phase space can also be applied to coupled motion in 4-dimensional phase space, where it may be a useful alternative procedure to the procedure presented by Edwards and Teng. In particular, it gives a simpler programing procedure for computing the beta functions and the emittances for coupled motion in 4-dimensional phase space.« less

  6. The linear parameters and the decoupling matrix for linearly coupled motion in 6 dimensional phase space. Informal report

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

    Parzen, G.

    It will be shown that starting from a coordinate system where the 6 phase space coordinates are linearly coupled, one can go to a new coordinate system, where the motion is uncoupled, by means of a linear transformation. The original coupled coordinates and the new uncoupled coordinates are related by a 6 {times} 6 matrix, R. R will be called the decoupling matrix. It will be shown that of the 36 elements of the 6 {times} 6 decoupling matrix R, only 12 elements are independent. This may be contrasted with the results for motion in 4-dimensional phase space, where Rmore » has 4 independent elements. A set of equations is given from which the 12 elements of R can be computed from the one period transfer matrix. This set of equations also allows the linear parameters, {beta}{sub i}, {alpha}{sub i} = 1, 3, for the uncoupled coordinates, to be computed from the one period transfer matrix. An alternative procedure for computing the linear parameters, the {beta}{sub i}, {alpha}{sub i} i = 1, 3, and the 12 independent elements of the decoupling matrix R is also given which depends on computing the eigenvectors of the one period transfer matrix. These results can be used in a tracking program, where the one period transfer matrix can be computed by multiplying the transfer matrices of all the elements in a period, to compute the linear parameters {alpha}{sub i} and {beta}{sub i}, i = 1, 3, and the elements of the decoupling matrix R. The procedure presented here for studying coupled motion in 6-dimensional phase space can also be applied to coupled motion in 4-dimensional phase space, where it may be a useful alternative procedure to the procedure presented by Edwards and Teng. In particular, it gives a simpler programming procedure for computing the beta functions and the emittances for coupled motion in 4-dimensional phase space.« less

  7. Application of an enhanced discrete element method to oil and gas drilling processes

    NASA Astrophysics Data System (ADS)

    Ubach, Pere Andreu; Arrufat, Ferran; Ring, Lev; Gandikota, Raju; Zárate, Francisco; Oñate, Eugenio

    2016-03-01

    The authors present results on the use of the discrete element method (DEM) for the simulation of drilling processes typical in the oil and gas exploration industry. The numerical method uses advanced DEM techniques using a local definition of the DEM parameters and combined FEM-DEM procedures. This paper presents a step-by-step procedure to build a DEM model for analysis of the soil region coupled to a FEM model for discretizing the drilling tool that reproduces the drilling mechanics of a particular drill bit. A parametric study has been performed to determine the model parameters in order to maintain accurate solutions with reduced computational cost.

  8. Terahertz multistatic reflection imaging.

    PubMed

    Dorney, Timothy D; Symes, William W; Baraniuk, Richard G; Mittleman, Daniel M

    2002-07-01

    We describe a new imaging method using single-cycle pulses of terahertz (THz) radiation. This technique emulates the data collection and image processing procedures developed for geophysical prospecting and is made possible by the availability of fiber-coupled THz receiver antennas. We use a migration procedure to solve the inverse problem; this permits us to reconstruct the location, the shape, and the refractive index of targets. We show examples for both metallic and dielectric model targets, and we perform velocity analysis on dielectric targets to estimate the refractive indices of imaged components. These results broaden the capabilities of THz imaging systems and also demonstrate the viability of the THz system as a test bed for the exploration of new seismic processing methods.

  9. Capillary Electrophoresis of Mono- and Oligosaccharides.

    PubMed

    Toppazzini, Mila; Coslovi, Anna; Rossi, Marco; Flamigni, Anna; Baiutti, Edi; Campa, Cristiana

    2016-01-01

    This chapter reports an overview of the recent advances in the analysis of mono- and oligosaccharides by capillary electrophoresis (CE); furthermore, relevant reviews and research articles recently published in the field are tabulated. Additionally, pretreatments and procedures applied to uncharged and acidic carbohydrates (i.e., monosaccharides and lower oligosaccharides carrying carboxylate, sulfate, or phosphate groups) are described.Representative examples of such procedures are reported in detail, upon describing robust methodologies for the study of (1) neutral oligosaccharides derivatized by reductive amination and by formation of glycosylamines; (2) sialic acid derivatized with 2-aminoacridone, released from human serum immunoglobulin G; (3) anomeric couples of neutral glycosides separated using borate-based buffers; (4) unsaturated, underivatized oligosaccharides from lyase-treated alginate.

  10. Coupled Thermo-Mechanical Analyses of Dynamically Loaded Rubber Cylinders

    NASA Technical Reports Server (NTRS)

    Johnson, Arthur R.; Chen, Tzi-Kang

    2000-01-01

    A procedure that models coupled thermo-mechanical deformations of viscoelastic rubber cylinders by employing the ABAQUS finite element code is described. Computational simulations of hysteretic heating are presented for several tall and short rubber cylinders both with and without a steel disk at their centers. The cylinders are compressed axially and are then cyclically loaded about the compressed state. The non-uniform hysteretic heating of the rubber cylinders containing a steel disk is presented. The analyses performed suggest that the coupling procedure should be considered for further development as a design tool for rubber degradation studies.

  11. A study on thermal characteristics analysis model of high frequency switching transformer

    NASA Astrophysics Data System (ADS)

    Yoo, Jin-Hyung; Jung, Tae-Uk

    2015-05-01

    Recently, interest has been shown in research on the module-integrated converter (MIC) in small-scale photovoltaic (PV) generation. In an MIC, the voltage boosting high frequency transformer should be designed to be compact in size and have high efficiency. In response to the need to satisfy these requirements, this paper presents a coupled electromagnetic analysis model of a transformer connected with a high frequency switching DC-DC converter circuit while considering thermal characteristics due to the copper and core losses. A design optimization procedure for high efficiency is also presented using this design analysis method, and it is verified by the experimental result.

  12. Determination of major elements by wavelength-dispersive X-ray fluorescence spectrometry and trace elements by inductively coupled plasma mass spectrometry in igneous rocks from the same fused sample (110 mg)

    NASA Astrophysics Data System (ADS)

    Amosova, Alena A.; Panteeva, Svetlana V.; Chubarov, Victor M.; Finkelshtein, Alexandr L.

    2016-08-01

    The fusion technique is proposed for simultaneous determination of 35 elements from the same sample. Only 110 mg of rock sample was used to obtain fused glasses for quantitative determination of 10 major elements by wavelength dispersive X-ray fluorescence analysis, 16 rare earth elements and some other trace elements by inductively coupled plasma mass spectrometry analysis. Fusion was performed with 1.1 g of lithium metaborate and LiBr solution as the releasing agent in platinum crucible in electric furnace at 1100 °C. The certified reference materials of ultramafic, mafic, intermediate and felsic igneous rocks have been applied to obtain the calibration curves for rock-forming oxides (Na2O, MgO, Al2O3, SiO2, P2O5, K2O, CaO, TiO2, MnO, Fe2O3) and some trace elements (Ba, Sr, Zr) determination by X-ray fluorescence analysis. The repeatability does not exceed the allowable standard deviation for a wide range of concentrations. In the most cases the relative standard deviation was less than 5%. Obtained glasses were utilized for the further determination of rare earth (La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) and some other (Ba, Sr, Zr, Rb, Cs, Y, Nb, Hf, Ta, Th and U) trace elements by inductively coupled plasma mass spectrometry analysis with the same certified reference materials employed. The results could mostly be accepted as satisfactory. The proposed procedure essentially reduces the expenses in comparison with separate sample preparation for inductively coupled plasma mass spectrometry and X-ray fluorescence analysis.

  13. An automated method for the analysis of phenolic acids in plasma based on ion-pairing micro-extraction coupled on-line to gas chromatography/mass spectrometry with in-liner derivatisation.

    PubMed

    Peters, Sonja; Kaal, Erwin; Horsting, Iwan; Janssen, Hans-Gerd

    2012-02-24

    A new method is presented for the analysis of phenolic acids in plasma based on ion-pairing 'Micro-extraction in packed sorbent' (MEPS) coupled on-line to in-liner derivatisation-gas chromatography-mass spectrometry (GC-MS). The ion-pairing reagent served a dual purpose. It was used both to improve extraction yields of the more polar analytes and as the methyl donor in the automated in-liner derivatisation method. In this way, a fully automated procedure for the extraction, derivatisation and injection of a wide range of phenolic acids in plasma samples has been obtained. An extensive optimisation of the extraction and derivatisation procedure has been performed. The entire method showed excellent repeatabilities of under 10% and linearities of 0.99 or better for all phenolic acids. The limits of detection of the optimised method for the majority of phenolic acids were 10ng/mL or lower with three phenolic acids having less-favourable detection limits of around 100 ng/mL. Finally, the newly developed method has been applied in a human intervention trial in which the bioavailability of polyphenols from wine and tea was studied. Forty plasma samples could be analysed within 24h in a fully automated method including sample extraction, derivatisation and gas chromatographic analysis. Copyright © 2011 Elsevier B.V. All rights reserved.

  14. Characterization of edible seaweed harvested on the Galician coast (northwestern Spain) using pattern recognition techniques and major and trace element data.

    PubMed

    Romarís-Hortas, Vanessa; García-Sartal, Cristina; Barciela-Alonso, María Carmen; Moreda-Piñeiro, Antonio; Bermejo-Barrera, Pilar

    2010-02-10

    Major and trace elements in North Atlantic seaweed originating from Galicia (northwestern Spain) were determined by using inductively coupled plasma-optical emission spectrometry (ICP-OES) (Ba, Ca, Cu, K, Mg, Mn, Na, Sr, and Zn), inductively coupled plasma-mass spectrometry (ICP-MS) (Br and I) and hydride generation-atomic fluorescence spectrometry (HG-AFS) (As). Pattern recognition techniques were then used to classify the edible seaweed according to their type (red, brown, and green seaweed) and also their variety (Wakame, Fucus, Sea Spaghetti, Kombu, Dulse, Nori, and Sea Lettuce). Principal component analysis (PCA) and cluster analysis (CA) were used as exploratory techniques, and linear discriminant analysis (LDA) and soft independent modeling of class analogy (SIMCA) were used as classification procedures. In total, t12 elements were determined in a range of 35 edible seaweed samples (20 brown seaweed, 10 red seaweed, 4 green seaweed, and 1 canned seaweed). Natural groupings of the samples (brown, red, and green types) were observed using PCA and CA (squared Euclidean distance between objects and Ward method as clustering procedure). The application of LDA gave correct assignation percentages of 100% for brown, red, and green types at a significance level of 5%. However, a satisfactory classification (recognition and prediction) using SIMCA was obtained only for red seaweed (100% of cases correctly classified), whereas percentages of 89 and 80% were obtained for brown seaweed for recognition (training set) and prediction (testing set), respectively.

  15. On the dual equivalence of the self-dual and topologically massive /B∧F models coupled to dynamical fermionic matter

    NASA Astrophysics Data System (ADS)

    Menezes, R.; Nascimento, J. R. S.; Ribeiro, R. F.; Wotzasek, C.

    2002-06-01

    We study the equivalence between the /B∧F self-dual (SDB∧F) and the /B∧F topologically massive (TMB∧F) models including the coupling to dynamical, U(1) charged fermionic matter. This is done through an iterative procedure of gauge embedding that produces the dual mapping. In the interactive cases, the minimal coupling adopted for both vector and tensor fields in the self-dual representation is transformed into a non-minimal magnetic like coupling in the topologically massive representation but with the currents swapped. It is known that to establish this equivalence a current-current interaction term is needed to render the matter sector unchanged. We show that both terms arise naturally from the embedding procedure.

  16. Quality-assurance results for routine water analyses in U.S. Geological Survey laboratories, water year 1998

    USGS Publications Warehouse

    Ludtke, Amy S.; Woodworth, Mark T.; Marsh, Philip S.

    2000-01-01

    The U.S. Geological Survey operates a quality-assurance program based on the analyses of reference samples for two laboratories: the National Water Quality Laboratory and the Quality of Water Service Unit. Reference samples that contain selected inorganic, nutrient, and low-level constituents are prepared and submitted to the laboratory as disguised routine samples. The program goal is to estimate precision and bias for as many analytical methods offered by the participating laboratories as possible. Blind reference samples typically are submitted at a rate of 2 to 5 percent of the annual environmental-sample load for each constituent. The samples are distributed to the laboratories throughout the year. The reference samples are subject to the identical laboratory handling, processing, and analytical procedures as those applied to environmental samples and, therefore, have been used as an independent source to verify bias and precision of laboratory analytical methods and ambient water-quality measurements. The results are stored permanently in the National Water Information System and the Blind Sample Project's data base. During water year 1998, 95 analytical procedures were evaluated at the National Water Quality Laboratory and 63 analytical procedures were evaluated at the Quality of Water Service Unit. An overall evaluation of the inorganic and low-level constituent data for water year 1998 indicated 77 of 78 analytical procedures at the National Water Quality Laboratory met the criteria for precision. Silver (dissolved, inductively coupled plasma-mass spectrometry) was determined to be imprecise. Five of 78 analytical procedures showed bias throughout the range of reference samples: chromium (dissolved, inductively coupled plasma-atomic emission spectrometry), dissolved solids (dissolved, gravimetric), lithium (dissolved, inductively coupled plasma-atomic emission spectrometry), silver (dissolved, inductively coupled plasma-mass spectrometry), and zinc (dissolved, inductively coupled plasma-mass spectrometry). At the National Water Quality Laboratory during water year 1998, lack of precision was indicated for 2 of 17 nutrient procedures: ammonia as nitrogen (dissolved, colorimetric) and orthophosphate as phosphorus (dissolved, colorimetric). Bias was indicated throughout the reference sample range for ammonia as nitrogen (dissolved, colorimetric, low level) and nitrate plus nitrite as nitrogen (dissolved, colorimetric, low level). All analytical procedures tested at the Quality of Water Service Unit during water year 1998 met the criteria for precision. One of the 63 analytical procedures indicated a bias throughout the range of reference samples: aluminum (whole-water recoverable, inductively coupled plasma-atomic emission spectrometry, trace).

  17. Heuristic decomposition for non-hierarchic systems

    NASA Technical Reports Server (NTRS)

    Bloebaum, Christina L.; Hajela, P.

    1991-01-01

    Design and optimization is substantially more complex in multidisciplinary and large-scale engineering applications due to the existing inherently coupled interactions. The paper introduces a quasi-procedural methodology for multidisciplinary optimization that is applicable for nonhierarchic systems. The necessary decision-making support for the design process is provided by means of an embedded expert systems capability. The method employs a decomposition approach whose modularity allows for implementation of specialized methods for analysis and optimization within disciplines.

  18. A simple and sensitive determination of histamine and N tau-methylhistamine in biological fluids by high-performance liquid chromatography with electrochemical detection.

    PubMed

    Houdi, A A; Crooks, P A; Van Loon, G R; Schubert, C A

    1987-05-01

    The determination of picomolar levels of histamine and its major metabolite, N tau-methylhistamine, in biological fluids was achieved using reversed-phase liquid chromatography coupled with electrochemical detection. A simple sample purification procedure for blood and urine samples was carried out prior to analysis using an Amberlite CG-50 cation-exchange resin, which afforded an excellent recovery of both compounds.

  19. Navier-Stokes simulation of plume/Vertical Launching System interaction flowfields

    NASA Astrophysics Data System (ADS)

    York, B. J.; Sinha, N.; Dash, S. M.; Anderson, L.; Gominho, L.

    1992-01-01

    The application of Navier-Stokes methodology to the analysis of Vertical Launching System/missile exhaust plume interactions is discussed. The complex 3D flowfields related to the Vertical Launching System are computed utilizing the PARCH/RNP Navier-Stokes code. PARCH/RNP solves the fully-coupled system of fluid, two-equation turbulence (k-epsilon) and chemical species equations via the implicit, approximately factored, Beam-Warming algorithm utilizing a block-tridiagonal inversion procedure.

  20. Rapid and automated analysis of aflatoxin M1 in milk and dairy products by online solid phase extraction coupled to ultra-high-pressure-liquid-chromatography tandem mass spectrometry.

    PubMed

    Campone, Luca; Piccinelli, Anna Lisa; Celano, Rita; Pagano, Imma; Russo, Mariateresa; Rastrelli, Luca

    2016-01-08

    This study reports a fast and automated analytical procedure for the analysis of aflatoxin M1 (AFM1) in milk and dairy products. The method is based on the simultaneous protein precipitation and AFM1 extraction, by salt-induced liquid-liquid extraction (SI-LLE), followed by an online solid-phase extraction (online SPE) coupled to ultra-high-pressure-liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) analysis to the automatic pre-concentration, clean up and sensitive and selective determination of AFM1. The main parameters affecting the extraction efficiency and accuracy of the analytical method were studied in detail. In the optimal conditions, acetonitrile and NaCl were used as extraction/denaturant solvent and salting-out agent in SI-LLE, respectively. After centrifugation, the organic phase (acetonitrile) was diluted with water (1:9 v/v) and purified (1mL) by online C18 cartridge coupled with an UHPLC column. Finally, selected reaction monitoring (SRM) acquisition mode was applied to the detection of AFM1. Validation studies were carried out on different dairy products (whole and skimmed cow milk, yogurt, goat milk, and powder infant formula), providing method quantification limits about 25 times lower than AFM1 maximum levels permitted by EU regulation 1881/2006 in milk and dairy products for direct human consumption. Recoveries (86-102%) and repeatability (RSD<3, n=6) meet the performance criteria required by EU regulation N. 401/2006 for the determination of the levels of mycotoxins in foodstuffs. Moreover, no matrix effects were observed in the different milk and dairy products studied. The proposed method improves the performance of AFM1 analysis in milk samples as AFM1 determination is performed with a degree of accuracy higher than the conventional methods. Other advantages are the reduction of sample preparation procedure, time and cost of the analysis, enabling high sample throughput that meet the current concerns of food safety and the public health protection. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Aptamer-conjugated nanobubbles for targeted ultrasound molecular imaging.

    PubMed

    Wang, Chung-Hsin; Huang, Yu-Fen; Yeh, Chih-Kuang

    2011-06-07

    Targeted ultrasound contrast agents can be prepared by some specific bioconjugation techniques. The biotin-avidin complex is an extremely useful noncovalent binding system, but the system might induce immunogenic side effects in human bodies. Previous proposed covalently conjugated systems suffered from low conjugation efficiency and complex procedures. In this study, we propose a covalently conjugated nanobubble coupling with nucleic acid ligands, aptamers, for providing a higher specific affinity for ultrasound targeting studies. The sgc8c aptamer was linked with nanobubbles through thiol-maleimide coupling chemistry for specific targeting to CCRF-CEM cells. Further improvements to reduce the required time and avoid the degradation of nanobubbles during conjugation procedures were also made. Several investigations were used to discuss the performance and consistency of the prepared nanobubbles, such as size distribution, conjugation efficiency analysis, and flow cytometry assay. Further, we applied our conjugated nanobubbles to ex vivo ultrasound targeted imaging and compared the resulting images with optical images. The results indicated the availability of aptamer-conjugated nanobubbles in targeted ultrasound imaging and the practicability of using a highly sensitive ultrasound system in noninvasive biological research.

  2. The determination of trace elements in crude oil and its heavy fractions by atomic spectrometry

    NASA Astrophysics Data System (ADS)

    Duyck, Christiane; Miekeley, Norbert; Porto da Silveira, Carmem L.; Aucélio, Ricardo Q.; Campos, Reinaldo C.; Grinberg, Patrícia; Brandão, Geisamanda P.

    2007-09-01

    A literature review on the determination of trace elements in crude oil and heavy molecular mass fractions (saturates, aromatics, resins and asphaltenes) by ICP-MS, ICP OES and AAS is presented. Metal occurrences, forms and distributions are examined as well as their implications in terms of reservoir geochemistry, oil refining and environment. The particular analytical challenges for the determination of metals in these complex matrices by spectrochemical techniques are discussed. Sample preparation based on ashing, microwave-assisted digestion and combustion decomposition procedures is noted as robust and long used. However, the introduction of non-aqueous solvents and micro-emulsions into inductively coupled plasmas is cited as a new trend for achieving rapid and accurate analysis. Separation procedures for operationally defined fractions in crude oil are more systematically applied for the observation of metal distributions and their implications. Chemical speciation is of growing interest, achieved by the coupling of high efficiency separation techniques (e.g., HPLC and GC) to ICP-MS instrumentation, which allows the simultaneous determination of multiple organometallic species of geochemical and environmental importance.

  3. Analytical approximations to the dynamics of an array of coupled DC SQUIDs

    NASA Astrophysics Data System (ADS)

    Berggren, Susan; Palacios, Antonio

    2014-04-01

    Coupled dynamical systems that operate near the onset of a bifurcation can lead, under certain conditions, to strong signal amplification effects. Over the past years we have studied this generic feature on a wide range of systems, including: magnetic and electric fields sensors, gyroscopic devices, and arrays of loops of superconducting quantum interference devices, also known as SQUIDs. In this work, we consider an array of SQUID loops connected in series as a case study to derive asymptotic analytical approximations to the exact solutions through perturbation analysis. Two approaches are considered. First, a straightforward expansion in which the non-linear parameter related to the inductance of the DC SQUID is treated as the small perturbation parameter. Second, a more accurate procedure that considers the SQUID phase dynamics as non-uniform motion on a circle. This second procedure is readily extended to the series array and it could serve as a mathematical framework to find approximate solutions to related complex systems with high-dimensionality. To the best of our knowledge, an approximate analytical solutions to an array of SQUIDs has not been reported yet in the literature.

  4. In-line electrochemical reagent generation coupled to a flow injection biamperometric system for the determination of sulfite in beverage samples.

    PubMed

    de Paula, Nattany T G; Barbosa, Elaine M O; da Silva, Paulo A B; de Souza, Gustavo C S; Nascimento, Valberes B; Lavorante, André F

    2016-07-15

    This work reports an in-line electrochemical reagent generation coupled to a flow injection biamperometric procedure for the determination of SO3(2-). The method was based on a redox reaction between the I3(-) and SO3(2-) ions, after the diffusion of SO2 through a gas diffusion chamber. Under optimum experimental conditions, a linear response ranging from 1.0 to 12.0 mg L(-1) (R=0.9999 and n=7), a detection and quantification limit estimated at 0.26 and 0.86 mg L(-1), respectively, a standard deviation relative of 0.4% (n=10) for a reference solution of 4.0 mg L(-1) SO3(2-) and sampling throughput for 40 determinations per hour were achieved. Addition and recovery tests with juice and wine samples were performed resulting in a range between 92% and 110%. There were no significant differences at a 95% confidence level in the analysis of eight samples when comparing the new method with a reference procedure. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Comprehensive gas chromatography coupled to mass spectrometry for the separation of pesticides in a very complex matrix.

    PubMed

    Mondello, Luigi; Casilli, Alessandro; Tranchida, Peter Quinto; Lo Presti, Maria; Dugo, Paola; Dugo, Giovanni

    2007-11-01

    The present research is focused on the development of a comprehensive two-dimensional gas chromatography-rapid scanning quadrupole mass spectrometric (GC x GC-qMS) methodology for the analysis of trace-amount pesticides contained in a complex real-world sample. Reliable peak assignment was carried out by using a recently developed, dedicated pesticide MS library (for comprehensive GC analysis), characterized by a twin-filter search procedure, the first based on a minimum degree of spectral similarity and the second on the interactive use of linear retention indices (LRI). The library was constructed by subjecting mixtures of commonly used pesticides to GC x GC-qMS analysis and then deriving their pure mass spectra and LRI values. In order to verify the effectiveness of the approach, a pesticide-contaminated red grapefruit extract was analysed. The certainty of peak assignment was attained by exploiting both the enhanced separation power of dual-oven GC x GC and the highly effective search procedure.

  6. Simplified multi-element analysis of ground and instant coffees by ICP-OES and FAAS.

    PubMed

    Szymczycha-Madeja, Anna; Welna, Maja; Pohl, Pawel

    2015-01-01

    A simplified alternative to the wet digestion sample preparation procedure for roasted ground and instant coffees has been developed and validated for the determination of different elements by inductively coupled plasma optical emission spectrometry (ICP-OES) (Al, Ba, Cd, Co, Cr, Cu, Mn, Ni, Pb, Sr, Zn) and flame atomic absorption spectrometry (FAAS) (Ca, Fe, K, Mg, Na). The proposed procedure, i.e. the ultrasound-assisted solubilisation in aqua regia, is quite fast and simple, requires minimal use of reagents, and demonstrated good analytical performance, i.e. accuracy from -4.7% to 1.9%, precision within 0.5-8.6% and recovery in the range 93.5-103%. Detection limits of elements were from 0.086 ng ml(-1) (Sr) to 40 ng ml(-1) (Fe). A preliminary classification of 18 samples of ground and instant coffees was successfully made based on concentrations of selected elements and using principal component analysis and hierarchic cluster analysis.

  7. Static headspace analysis using polyurethane phases--application to roasted coffee volatiles characterization.

    PubMed

    Rodrigues, C; Portugal, F C M; Nogueira, J M F

    2012-01-30

    Static headspace sorptive extraction using polyurethane foams (HSSE(PU)) followed by gas chromatography coupled to mass spectrometry is proposed for volatile analysis. The application of this novel analytical approach to characterize the volatiles profile from roasted coffee samples, selected as model system, revealed remarkable advantages under convenient experimental conditions. The comparison of HSSE(PU) with other well-established procedures, such as headspace sorptive extraction using polydimethylsiloxane (HSSE(PDMS)) and headspace solid phase microextraction using carboxen/polydimethylsiloxane fibers (HS-SPME(CAR/PDMS)), showed that the former presented much higher capacity, sensitivity and even selectivity, where larger abundance and number of roasted coffee volatile compounds (e.g. furans, pyrazines, ketones, acids and pyrroles) could be achieved, under similar experimental conditions. The data presented herein proved, for the first time, that PU foams present great performance for static headspace sorption-based procedures, showing to be an alternative polymeric phase for volatile analysis. Copyright © 2011 Elsevier B.V. All rights reserved.

  8. Optimization of multi-element airfoils for maximum lift

    NASA Technical Reports Server (NTRS)

    Olsen, L. E.

    1979-01-01

    Two theoretical methods are presented for optimizing multi-element airfoils to obtain maximum lift. The analyses assume that the shapes of the various high lift elements are fixed. The objective of the design procedures is then to determine the optimum location and/or deflection of the leading and trailing edge devices. The first analysis determines the optimum horizontal and vertical location and the deflection of a leading edge slat. The structure of the flow field is calculated by iteratively coupling potential flow and boundary layer analysis. This design procedure does not require that flow separation effects be modeled. The second analysis determines the slat and flap deflection required to maximize the lift of a three element airfoil. This approach requires that the effects of flow separation from one or more of the airfoil elements be taken into account. The theoretical results are in good agreement with results of a wind tunnel test used to corroborate the predicted optimum slat and flap positions.

  9. Corneal coupling of astigmatism applied to incisional and ablative surgery.

    PubMed

    Alpins, Noel; Ong, James K Y; Stamatelatos, George

    2014-11-01

    To redefine measures of corneal coupling for use with incisional and ablation procedures for astigmatism. Private clinics, Melbourne, Victoria, Australia. Retrospective nonrandomized study. The measures known as the coupling ratio (CR) and coupling constant (CC) were redefined to ensure validity in most cases of incisional procedures and laser vision correction procedures. In addition, a new measure--the coupling adjustment (CAdj)--was developed to quantify the amount of spherical adjustment that must be applied to compensate for coupling that occurs as a result of astigmatism treatment. These quantitative measures of coupling were applied to retrospective data to show their applicability. Pure myopic, compound myopic, and compound hyperopic astigmatism excimer laser treatments showed a CR close to zero, a CC close to 0.5, and a CAdj close to zero. Incision LRIs showed a CR close to 1.0 and a CC close to zero. In all cases, the coupling measures were consistent for treatments with a larger astigmatic component (>1.0 diopter) but variable when the astigmatic component of the treatment was smaller. The revised definitions of CR and CC can be used with incisional and ablative surgery. Incorporating the CAdj into the planning of spherocylindrical treatments allows one to factor in the effect of the astigmatic treatment on the spherical component and thus to more accurately target the desired spherical equivalent. Dr. Alpins and Mr. Stamatelatos have a financial interest in the Assort software program. Dr. Ong is an employee of Assort. Copyright © 2014 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

  10. Lessons from a pilot project in cognitive task analysis: the potential role of intermediates in preclinical teaching in dental education.

    PubMed

    Walker, Judith; von Bergmann, HsingChi

    2015-03-01

    The purpose of this study was to explore the use of cognitive task analysis to inform the teaching of psychomotor skills and cognitive strategies in clinical tasks in dental education. Methods used were observing and videotaping an expert at one dental school thinking aloud while performing a specific preclinical task (in a simulated environment), interviewing the expert to probe deeper into his thinking processes, and applying the same procedures to analyze the performance of three second-year dental students who had recently learned the analyzed task and who represented a spectrum of their cohort's ability to undertake the procedure. The investigators sought to understand how experts (clinical educators) and intermediates (trained students) overlapped and differed at points in the procedure that represented the highest cognitive load, known as "critical incidents." Findings from this study and previous research identified possible limitations of current clinical teaching as a result of expert blind spots. These findings coupled with the growing evidence of the effectiveness of peer teaching suggest the potential role of intermediates in helping novices learn preclinical dentistry tasks.

  11. Drop shape visualization and contact angle measurement on curved surfaces.

    PubMed

    Guilizzoni, Manfredo

    2011-12-01

    The shape and contact angles of drops on curved surfaces is experimentally investigated. Image processing, spline fitting and numerical integration are used to extract the drop contour in a number of cross-sections. The three-dimensional surfaces which describe the surface-air and drop-air interfaces can be visualized and a simple procedure to determine the equilibrium contact angle starting from measurements on curved surfaces is proposed. Contact angles on flat surfaces serve as a reference term and a procedure to measure them is proposed. Such procedure is not as accurate as the axisymmetric drop shape analysis algorithms, but it has the advantage of requiring only a side view of the drop-surface couple and no further information. It can therefore be used also for fluids with unknown surface tension and there is no need to measure the drop volume. Examples of application of the proposed techniques for distilled water drops on gemstones confirm that they can be useful for drop shape analysis and contact angle measurement on three-dimensional sculptured surfaces. Copyright © 2011 Elsevier Inc. All rights reserved.

  12. U.S.-MEXICO BORDER PROGRAM ARIZONA BORDER STUDY--STANDARD OPERATING PROCEDURE FOR OPERATION, CALIBRATION, AND MAINTENANCE OF THE JOBIN-YVON MODEL 70 INDUCTIVELY COUPLED PLASMA ATOMIC EMISSION SPECTROMETER (BCO-L-7.1)

    EPA Science Inventory

    The purpose of this SOP is to detail the operation and maintenance of an Instruments, SA Inc., Jobin-Yvon Model 70 (JY-70) inductively coupled plasma atomic emissions spectrometry (ICP-AES). This procedure was followed to ensure consistent data retrieval during the Arizona NHEXA...

  13. Global dynamic modeling of a transmission system

    NASA Technical Reports Server (NTRS)

    Choy, F. K.; Qian, W.

    1993-01-01

    The work performed on global dynamic simulation and noise correlation of gear transmission systems at the University of Akron is outlined. The objective is to develop a comprehensive procedure to simulate the dynamics of the gear transmission system coupled with the effects of gear box vibrations. The developed numerical model is benchmarked with results from experimental tests at NASA Lewis Research Center. The modal synthesis approach is used to develop the global transient vibration analysis procedure used in the model. Modal dynamic characteristics of the rotor-gear-bearing system are calculated by the matrix transfer method while those of the gear box are evaluated by the finite element method (NASTRAN). A three-dimensional, axial-lateral coupled bearing model is used to couple the rotor vibrations with the gear box motion. The vibrations between the individual rotor systems are coupled through the nonlinear gear mesh interactions. The global equations of motion are solved in modal coordinates and the transient vibration of the system is evaluated by a variable time-stepping integration scheme. The relationship between housing vibration and resulting noise of the gear transmission system is generated by linear transfer functions using experimental data. A nonlinear relationship of the noise components to the fundamental mesh frequency is developed using the hypercoherence function. The numerically simulated vibrations and predicted noise of the gear transmission system are compared with the experimental results from the gear noise test rig at NASA Lewis Research Center. Results of the comparison indicate that the global dynamic model developed can accurately simulate the dynamics of a gear transmission system.

  14. An Aeroelastic Analysis of a Thin Flexible Membrane

    NASA Technical Reports Server (NTRS)

    Scott, Robert C.; Bartels, Robert E.; Kandil, Osama A.

    2007-01-01

    Studies have shown that significant vehicle mass and cost savings are possible with the use of ballutes for aero-capture. Through NASA's In-Space Propulsion program, a preliminary examination of ballute sensitivity to geometry and Reynolds number was conducted, and a single-pass coupling between an aero code and a finite element solver was used to assess the static aeroelastic effects. There remain, however, a variety of open questions regarding the dynamic aeroelastic stability of membrane structures for aero-capture, with the primary challenge being the prediction of the membrane flutter onset. The purpose of this paper is to describe and begin addressing these issues. The paper includes a review of the literature associated with the structural analysis of membranes and membrane utter. Flow/structure analysis coupling and hypersonic flow solver options are also discussed. An approach is proposed for tackling this problem that starts with a relatively simple geometry and develops and evaluates analysis methods and procedures. This preliminary study considers a computationally manageable 2-dimensional problem. The membrane structural models used in the paper include a nonlinear finite-difference model for static and dynamic analysis and a NASTRAN finite element membrane model for nonlinear static and linear normal modes analysis. Both structural models are coupled with a structured compressible flow solver for static aeroelastic analysis. For dynamic aeroelastic analyses, the NASTRAN normal modes are used in the structured compressible flow solver and 3rd order piston theories were used with the finite difference membrane model to simulate utter onset. Results from the various static and dynamic aeroelastic analyses are compared.

  15. On scalar and vector fields coupled to the energy-momentum tensor

    NASA Astrophysics Data System (ADS)

    Jiménez, Jose Beltrán; Cembranos, Jose A. R.; Sánchez Velázquez, Jose M.

    2018-05-01

    We consider theories for scalar and vector fields coupled to the energy-momentum tensor. Since these fields also carry a non-trivial energy-momentum tensor, the coupling prescription generates self-interactions. In analogy with gravity theories, we build the action by means of an iterative process that leads to an infinite series, which can be resumed as the solution of a set of differential equations. We show that, in some particular cases, the equations become algebraic and that is also possible to find solutions in the form of polynomials. We briefly review the case of the scalar field that has already been studied in the literature and extend the analysis to the case of derivative (disformal) couplings. We then explore theories with vector fields, distinguishing between gauge-and non-gauge-invariant couplings. Interactions with matter are also considered, taking a scalar field as a proxy for the matter sector. We also discuss the ambiguity introduced by superpotential (boundary) terms in the definition of the energy-momentum tensor and use them to show that it is also possible to generate Galileon-like interactions with this procedure. We finally use collider and astrophysical observations to set constraints on the dimensionful coupling which characterises the phenomenology of these models.

  16. CFD Methods and Tools for Multi-Element Airfoil Analysis

    NASA Technical Reports Server (NTRS)

    Rogers, Stuart E.; George, Michael W. (Technical Monitor)

    1995-01-01

    This lecture will discuss the computational tools currently available for high-lift multi-element airfoil analysis. It will present an overview of a number of different numerical approaches, their current capabilities, short-comings, and computational costs. The lecture will be limited to viscous methods, including inviscid/boundary layer coupling methods, and incompressible and compressible Reynolds-averaged Navier-Stokes methods. Both structured and unstructured grid generation approaches will be presented. Two different structured grid procedures are outlined, one which uses multi-block patched grids, the other uses overset chimera grids. Turbulence and transition modeling will be discussed.

  17. Solid cation exchange phase to remove interfering anthocyanins in the analysis of other bioactive phenols in red wine.

    PubMed

    da Silva, Letícia Flores; Guerra, Celito Crivellaro; Klein, Diandra; Bergold, Ana Maria

    2017-07-15

    Bioactive phenols (BPs) are often targets in red wine analysis. However, other compounds interfere in the liquid chromatography methods used for this analysis. Here, purification procedures were tested to eliminate anthocyanin interference during the determination of 19 red-wine BPs. Liquid chromatography, coupled to a diode array detector (HPLC-DAD) and a mass spectrometer (UPLC-MS), was used to compare the direct injection of the samples with solid-phase extractions: reversed-phase (C18) and strong cation-exchange (SCX). The HPLC-DAD method revealed that, out of 13BPs, only six are selectively analyzed with or without C18 treatment, whereas SCX enabled the detection of all BPs. The recovery with SCX was above 86.6% for eight BPs. Moreover, UPLC-MS demonstrated the potential of SCX sample preparation for the determination of 19BPs. The developed procedure may be extended to the analysis of other red wine molecules or to other analytical methods where anthocyanins may interfere. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Crack cause analysis of a graphite nozzle throat insert

    NASA Astrophysics Data System (ADS)

    Sun, Lin; Bao, Futing; Zhao, Yu; Hou, Lian; Hui, Weihua; Zhang, Ning; Shi, Wei

    2017-08-01

    With an objective to determine the failure cause of a throughout crack at an angle of 45° and a breach during a firing test, a simplified analysis procedure with consideration of the structure gap was established to simulate the thermo-structural response of a nozzle. By neglecting erosion and pyrolysis of the insulating materials and establishing temperature-dependent or anisotropic material models, ANSYS Parameter Design Language codes were written to perform the fully coupled thermal-structural simulation. A Quasi-1D flow was calculated for supplying boundary conditions. Study on mesh independence and time step independence was also conducted to evaluate simulated results. It was found that shortly after ignition, compressive stress in the x direction and tensile stress in the y direction contributed to anomalies. And through contact status analysis, inappropriate gap design was regarded as the origin of the too large stress, which was the primary cause of these anomalies during firing test. Simulation results were in good agreement with firing test results. In addition, the simplified analysis procedure was proven effective. Gap size should be seriously dealt with in the future design.

  19. Aerodynamic design optimization using sensitivity analysis and computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Baysal, Oktay; Eleshaky, Mohamed E.

    1991-01-01

    A new and efficient method is presented for aerodynamic design optimization, which is based on a computational fluid dynamics (CFD)-sensitivity analysis algorithm. The method is applied to design a scramjet-afterbody configuration for an optimized axial thrust. The Euler equations are solved for the inviscid analysis of the flow, which in turn provides the objective function and the constraints. The CFD analysis is then coupled with the optimization procedure that uses a constrained minimization method. The sensitivity coefficients, i.e. gradients of the objective function and the constraints, needed for the optimization are obtained using a quasi-analytical method rather than the traditional brute force method of finite difference approximations. During the one-dimensional search of the optimization procedure, an approximate flow analysis (predicted flow) based on a first-order Taylor series expansion is used to reduce the computational cost. Finally, the sensitivity of the optimum objective function to various design parameters, which are kept constant during the optimization, is computed to predict new optimum solutions. The flow analysis of the demonstrative example are compared with the experimental data. It is shown that the method is more efficient than the traditional methods.

  20. Current induced magnetization switching in Co/Cu/Ni-Fe nanopillar with orange peel coupling

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

    Aravinthan, D.; Daniel, M.; Sabareesan, P.

    The impact of orange peel coupling on spin current induced magnetization switching in a Co/Cu/Ni-Fe nanopillar device is investigated by solving the switching dynamics of magnetization of the free layer governed by the Landau-Lifshitz-Gilbert-Slonczewski (LLGS) equation. The value of the critical current required to initiate the magnetization switching is calculated analytically by solving the LLGS equation and verified the same through numerical analysis. Results of numerical simulation of the LLGS equation using Runge-Kutta fourth order procedure shows that the presence of orange peel coupling between the spacer and the ferromagnetic layers reduces the switching time of the nanopillar device frommore » 67 ps to 48 ps for an applied current density of 4 × 10{sup 12}Am{sup −2}. Also, the presence of orange peel coupling reduces the critical current required to initiate switching, and in this case, from 1.65 × 10{sup 12}Am{sup −2} to 1.39 × 10{sup 12}Am{sup −2}.« less

  1. Phenomenological model for coupled multi-axial piezoelectricity

    NASA Astrophysics Data System (ADS)

    Wei, Yuchen; Pellegrino, Sergio

    2018-03-01

    A quantitative calibration of an existing phenomenological model for polycrystalline ferroelectric ceramics is presented. The model relies on remnant strain and polarization as independent variables. Innovative experimental and numerical model identification procedures are developed for the characterization of the coupled electro-mechanical, multi-axial nonlinear constitutive law. Experiments were conducted on thin PZT-5A4E plates subjected to cross-thickness electric field. Unimorph structures with different thickness ratios between PZT-5A4E plate and substrate were tested, to subject the piezo plates to coupled electro-mechanical fields. Material state histories in electric field-strain-polarization space and stress-strain-polarization space were recorded. An optimization procedure is employed for the determination of the model parameters, and the calibrated constitutive law predicts both the uncoupled and coupled experimental observations accurately.

  2. An efficient matrix-matrix multiplication based antisymmetric tensor contraction engine for general order coupled cluster.

    PubMed

    Hanrath, Michael; Engels-Putzka, Anna

    2010-08-14

    In this paper, we present an efficient implementation of general tensor contractions, which is part of a new coupled-cluster program. The tensor contractions, used to evaluate the residuals in each coupled-cluster iteration are particularly important for the performance of the program. We developed a generic procedure, which carries out contractions of two tensors irrespective of their explicit structure. It can handle coupled-cluster-type expressions of arbitrary excitation level. To make the contraction efficient without loosing flexibility, we use a three-step procedure. First, the data contained in the tensors are rearranged into matrices, then a matrix-matrix multiplication is performed, and finally the result is backtransformed to a tensor. The current implementation is significantly more efficient than previous ones capable of treating arbitrary high excitations.

  3. Preliminary laboratory testing on the sound absorption of coupled cavity sonic crystal

    NASA Astrophysics Data System (ADS)

    Kristiani, R.; Yahya, I.; Harjana; Suparmi

    2016-11-01

    This paper focuses on the sound absorption performance of coupled cavity sonic crystal. It constructed by a pair of a cylindrical tube with different values in diameters. A laboratory test procedure after ASTM E1050 has been conducted to measure the sound absorption of the sonic crystal elements. The test procedures were implemented to a single coupled scatterer and also to a pair of similar structure. The results showed that using the paired structure bring a better possibility for increase the sound absorption to a wider absorption range. It also bring a practical advantage for setting the local Helmholtz resonant frequency to certain intended frequency.

  4. An Eulerian/Lagrangian coupling procedure for three-dimensional vortical flows

    NASA Technical Reports Server (NTRS)

    Felici, Helene M.; Drela, Mark

    1993-01-01

    A coupled Eulerian/Lagrangian method is presented for the reduction of numerical diffusion observed in solutions of 3D vortical flows using standard Eulerian finite-volume time-marching procedures. A Lagrangian particle tracking method, added to the Eulerian time-marching procedure, provides a correction of the Eulerian solution. In turn, the Eulerian solution is used to integrate the Lagrangian state-vector along the particles trajectories. While the Eulerian solution ensures the conservation of mass and sets the pressure field, the particle markers describe accurately the convection properties and enhance the vorticity and entropy capturing capabilities of the Eulerian solver. The Eulerian/Lagrangian coupling strategies are discussed and the combined scheme is tested on a constant stagnation pressure flow in a 90 deg bend and on a swirling pipe flow. As the numerical diffusion is reduced when using the Lagrangian correction, a vorticity gradient augmentation is identified as a basic problem of this inviscid calculation.

  5. Estimating Convection Parameters in the GFDL CM2.1 Model Using Ensemble Data Assimilation

    NASA Astrophysics Data System (ADS)

    Li, Shan; Zhang, Shaoqing; Liu, Zhengyu; Lu, Lv; Zhu, Jiang; Zhang, Xuefeng; Wu, Xinrong; Zhao, Ming; Vecchi, Gabriel A.; Zhang, Rong-Hua; Lin, Xiaopei

    2018-04-01

    Parametric uncertainty in convection parameterization is one major source of model errors that cause model climate drift. Convection parameter tuning has been widely studied in atmospheric models to help mitigate the problem. However, in a fully coupled general circulation model (CGCM), convection parameters which impact the ocean as well as the climate simulation may have different optimal values. This study explores the possibility of estimating convection parameters with an ensemble coupled data assimilation method in a CGCM. Impacts of the convection parameter estimation on climate analysis and forecast are analyzed. In a twin experiment framework, five convection parameters in the GFDL coupled model CM2.1 are estimated individually and simultaneously under both perfect and imperfect model regimes. Results show that the ensemble data assimilation method can help reduce the bias in convection parameters. With estimated convection parameters, the analyses and forecasts for both the atmosphere and the ocean are generally improved. It is also found that information in low latitudes is relatively more important for estimating convection parameters. This study further suggests that when important parameters in appropriate physical parameterizations are identified, incorporating their estimation into traditional ensemble data assimilation procedure could improve the final analysis and climate prediction.

  6. Rapid determination of glyphosate in cereal samples by means of pre-column derivatisation with 9-fluorenylmethyl chloroformate and coupled-column liquid chromatography with fluorescence detection.

    PubMed

    Hogendoorn, E A; Ossendrijver, F M; Dijkman, E; Baumann, R A

    1999-02-12

    A rapid procedure for the determination of glyphosate in cereals has been developed. Convenient sample pretreatment is carried out by (i) a overnight standing extraction of 1.0 g homogenized sample with 20 ml of water, (ii) centrifugation of the samples, (iii) a passing of 2.5 ml of the clear layer through a 100 mg C18 solid-phase extraction cartridge and (iv) collection of the last 1.5 ml of the eluent into a calibrated tube. For the instrumental analysis, the efficient approach developed earlier for environmental water samples [J.V. Sancho, F. Hernández, F.J. LUpez, E.A. Hogendoorn, E. Dijkman, P. van Zoonen, J. Chromatogr. A, 737 (1996) 75] was successfully adopted for the determination of glyphosate in the obtained cereal extracts. The procedure includes a 15 min derivatisation step of the analyte with 9-fluorenylmethyl chloroformate and a 16 times dilution step prior to instrumental analysis employing coupled-column LC with fluorescence detection. The developed procedure has a sample throughput of more than 25 samples per day and a limit of quantification of 0.5 mg/kg. The method was validated by analyzing freshly spiked cereal samples and samples with aged residues at levels between 1.0 and 10 mg/kg. The overall recovery of the freshly spiked samples was 86% (n = 10) with a repeatability of 6.5% and a reproducibility of 9.5%. For samples with aged residues recoveries performed at different time intervals (range 80-150 days) did not differ significantly; the overall recovery (n = 10) was 74% with a repeatability and reproducibility of 14 and 20%, respectively.

  7. Determination of endocrine-disrupting compounds in water samples by magnetic nanoparticle-assisted dispersive liquid-liquid microextraction combined with gas chromatography-tandem mass spectrometry.

    PubMed

    Pérez, Rosa Ana; Albero, Beatriz; Tadeo, José Luis; Sánchez-Brunete, Consuelo

    2016-11-01

    A rapid extraction procedure is presented for the determination of five endocrine-disrupting compounds, estrone, ethinylestradiol, bisphenol A, triclosan, and 2-ethylhexylsalicylate, in water samples. The analysis involves a two-step extraction procedure that combines dispersive liquid-liquid microextraction (DLLME) with dispersive micro-solid phase extraction (D-μ-SPE), using magnetic nanoparticles, followed by in situ derivatization in the injection port of a gas chromatograph coupled to triple quadrupole mass spectrometry. The use of uncoated or oleate-coated Fe 3 O 4 nanoparticles as sorbent in the extraction process was evaluated and compared. The main parameters involved in the extraction process were optimized applying experimental designs. Uncoated Fe 3 O 4 nanoparticles were selected in order to simplify and make more cost-effective the procedure. DLLME was carried out at pH 3, during 2 min, followed by the addition of the nanoparticles for D-μ-SPE employing 1 min in the extraction. Analysis of spiked water samples of different sources gave satisfactory recovery results for all the compounds with detection limits ranging from 7 to 180 ng l -1 . Finally, the procedure was applied in tap, well, and river water. Graphical abstract Diagram of the extraction method using magnetic nanoparticles (MNPs).

  8. On the coupling of hyperbolic and parabolic systems: Analytical and numerical approach

    NASA Technical Reports Server (NTRS)

    Gastaldi, Fabio; Quarteroni, Alfio

    1988-01-01

    The coupling of hyperbolic and parabolic systems is discussed in a domain Omega divided into two distinct subdomains omega(+) and omega(-). The main concern is to find the proper interface conditions to be fulfilled at the surface separating the two domains. Next, they are used in the numerical approximation of the problem. The justification of the interface conditions is based on a singular perturbation analysis, i.e., the hyperbolic system is rendered parabolic by adding a small artifical viscosity. As this goes to zero, the coupled parabolic-parabolic problem degenerates into the original one, yielding some conditions at the interface. These are taken as interface conditions for the hyperbolic-parabolic problem. Actually, two alternative sets of interface conditions are discussed according to whether the regularization procedure is variational or nonvariational. It is shown how these conditions can be used in the frame of a numerical approximation to the given problem. Furthermore, a method of resolution is discussed which alternates the resolution of the hyperbolic problem within omega(-) and of the parabolic one within omega(+). The spectral collocation method is proposed, as an example of space discretization (different methods could be used as well); both explicit and implicit time-advancing schemes are considered. The present study is a preliminary step toward the analysis of the coupling between Euler and Navier-Stokes equations for compressible flows.

  9. Coupled rotor/fuselage dynamic analysis of the AH-1G helicopter and correlation with flight vibrations data

    NASA Technical Reports Server (NTRS)

    Corrigan, J. C.; Cronkhite, J. D.; Dompka, R. V.; Perry, K. S.; Rogers, J. P.; Sadler, S. G.

    1989-01-01

    Under a research program designated Design Analysis Methods for VIBrationS (DAMVIBS), existing analytical methods are used for calculating coupled rotor-fuselage vibrations of the AH-1G helicopter for correlation with flight test data from an AH-1G Operational Load Survey (OLS) test program. The analytical representation of the fuselage structure is based on a NASTRAN finite element model (FEM), which has been developed, extensively documented, and correlated with ground vibration test. One procedure that was used for predicting coupled rotor-fuselage vibrations using the advanced Rotorcraft Flight Simulation Program C81 and NASTRAN is summarized. Detailed descriptions of the analytical formulation of rotor dynamics equations, fuselage dynamic equations, coupling between the rotor and fuselage, and solutions to the total system of equations in C81 are included. Analytical predictions of hub shears for main rotor harmonics 2p, 4p, and 6p generated by C81 are used in conjunction with 2p OLS measured control loads and a 2p lateral tail rotor gearbox force, representing downwash impingement on the vertical fin, to excite the NASTRAN model. NASTRAN is then used to correlate with measured OLS flight test vibrations. Blade load comparisons predicted by C81 showed good agreement. In general, the fuselage vibration correlations show good agreement between anslysis and test in vibration response through 15 to 20 Hz.

  10. Sequential photocatalyst-assisted digestion and vapor generation device coupled with anion exchange chromatography and inductively coupled plasma mass spectrometry for speciation analysis of selenium species in biological samples.

    PubMed

    Tsai, Yun-ni; Lin, Cheng-hsing; Hsu, I-hsiang; Sun, Yuh-chang

    2014-01-02

    We have developed an on-line sequential photocatalyst-assisted digestion and vaporization device (SPADVD), which operates through the nano-TiO2-catalyzed photo-oxidation and reduction of selenium (Se) species, for coupling between anion exchange chromatography (LC) and inductively coupled plasma mass spectrometry (ICP-MS) systems to provide a simple and sensitive hyphenated method for the speciation analysis of Se species without the need for conventional chemical digestion and vaporization techniques. Because our proposed on-line SPADVD allows both organic and inorganic Se species in the column effluent to be converted on-line into volatile Se products, which are then measured directly through ICP-MS, the complexity of the procedure and the probability of contamination arising from the use of additional chemicals are both low. Under the optimized conditions for SPADVD - using 1g of nano-TiO2 per liter, at pH 3, and illuminating for 80 s - we found that Se(IV), Se(VI), and selenomethionine (SeMet) were all converted quantitatively into volatile Se products. In addition, because the digestion and vaporization efficiencies of all the tested selenicals were improved when using our proposed on-line LC/SPADVD/ICP-MS system, the detection limits for Se(IV), Se(VI), and SeMet were all in the nanogram-per-liter range (based on 3σ). A series of validation experiments - analysis of neat and spiked extracted samples - indicated that our proposed methods could be applied satisfactorily to the speciation analysis of organic and inorganic Se species in the extracts of Se-enriched supplements. Copyright © 2013. Published by Elsevier B.V.

  11. Maintenance of biological activity of pertussis toxin radioiodinated while bound to fetuin-agarose

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

    Armstrong, G.D.; Peppler, M.S.

    1987-05-01

    We developed a method to produce radioiodinated pertussis toxin (PT) which was active in the goose erythrocyte agglutination and CHO cell assay systems. The procedure used fetuin coupled to agarose to prevent inactivation of the toxin during the iodination reaction. Analysis of the labeled PT by affinity chromatography on fetuin-agarose and wheat germ agglutinin-agarose and by sodium dodecyl sulfate-polyacrylamide gel electrophoresis indicated that there were minimal amounts of labeled fetuin or other contaminants in the labeled PT preparations. All five of the subunits of the toxin appeared to be labeled by the procedure. The labeling method will facilitate further investigationsmore » into the nature of the interaction and activity of PT in host tissues.« less

  12. An Automated High-Throughput System to Fractionate Plant Natural Products for Drug Discovery

    PubMed Central

    Tu, Ying; Jeffries, Cynthia; Ruan, Hong; Nelson, Cynthia; Smithson, David; Shelat, Anang A.; Brown, Kristin M.; Li, Xing-Cong; Hester, John P.; Smillie, Troy; Khan, Ikhlas A.; Walker, Larry; Guy, Kip; Yan, Bing

    2010-01-01

    The development of an automated, high-throughput fractionation procedure to prepare and analyze natural product libraries for drug discovery screening is described. Natural products obtained from plant materials worldwide were extracted and first prefractionated on polyamide solid-phase extraction cartridges to remove polyphenols, followed by high-throughput automated fractionation, drying, weighing, and reformatting for screening and storage. The analysis of fractions with UPLC coupled with MS, PDA and ELSD detectors provides information that facilitates characterization of compounds in active fractions. Screening of a portion of fractions yielded multiple assay-specific hits in several high-throughput cellular screening assays. This procedure modernizes the traditional natural product fractionation paradigm by seamlessly integrating automation, informatics, and multimodal analytical interrogation capabilities. PMID:20232897

  13. A Standard Platform for Testing and Comparison of MDAO Architectures

    NASA Technical Reports Server (NTRS)

    Gray, Justin S.; Moore, Kenneth T.; Hearn, Tristan A.; Naylor, Bret A.

    2012-01-01

    The Multidisciplinary Design Analysis and Optimization (MDAO) community has developed a multitude of algorithms and techniques, called architectures, for performing optimizations on complex engineering systems which involve coupling between multiple discipline analyses. These architectures seek to efficiently handle optimizations with computationally expensive analyses including multiple disciplines. We propose a new testing procedure that can provide a quantitative and qualitative means of comparison among architectures. The proposed test procedure is implemented within the open source framework, OpenMDAO, and comparative results are presented for five well-known architectures: MDF, IDF, CO, BLISS, and BLISS-2000. We also demonstrate how using open source soft- ware development methods can allow the MDAO community to submit new problems and architectures to keep the test suite relevant.

  14. High-Performance Parallel Analysis of Coupled Problems for Aircraft Propulsion

    NASA Technical Reports Server (NTRS)

    Felippa, C. A.; Farhat, C.; Park, K. C.; Gumaste, U.; Chen, P.-S.; Lesoinne, M.; Stern, P.

    1996-01-01

    This research program dealt with the application of high-performance computing methods to the numerical simulation of complete jet engines. The program was initiated in January 1993 by applying two-dimensional parallel aeroelastic codes to the interior gas flow problem of a bypass jet engine. The fluid mesh generation, domain decomposition and solution capabilities were successfully tested. Attention was then focused on methodology for the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion driven by these structural displacements. The latter is treated by a ALE technique that models the fluid mesh motion as that of a fictitious mechanical network laid along the edges of near-field fluid elements. New partitioned analysis procedures to treat this coupled three-component problem were developed during 1994 and 1995. These procedures involved delayed corrections and subcycling, and have been successfully tested on several massively parallel computers, including the iPSC-860, Paragon XP/S and the IBM SP2. For the global steady-state axisymmetric analysis of a complete engine we have decided to use the NASA-sponsored ENG10 program, which uses a regular FV-multiblock-grid discretization in conjunction with circumferential averaging to include effects of blade forces, loss, combustor heat addition, blockage, bleeds and convective mixing. A load-balancing preprocessor tor parallel versions of ENG10 was developed. During 1995 and 1996 we developed the capability tor the first full 3D aeroelastic simulation of a multirow engine stage. This capability was tested on the IBM SP2 parallel supercomputer at NASA Ames. Benchmark results were presented at the 1196 Computational Aeroscience meeting.

  15. Study of the use of axial viewed inductively coupled plasma atomic emission spectrometry with ultrasonic nebulization for the determination of select elemental impurities in oral drug products.

    PubMed

    Menoutis, James; Parisi, Angela; Verma, Natasha

    2018-04-15

    In efforts to control the potential presence of heavy metals in pharmaceuticals, the United States Pharmacopeia (USP) and International Conference on Harmonization (ICH) have put forth new requirements and guidelines for their control. The new requirements and guidelines establish specific daily exposures (PDE) for 24 heavy metals/elemental impurities (EI) based upon their toxicological properties. USP General Chapter 〈233〉 provides a general reference procedure for preparing pharmaceutical samples for analysis employing microwave assisted digestion (MWAD). It also provides two Compendial Procedures, Procedure 1 employing ICP-AES, and Procedure 2 employing ICP-MS. Given the extremely low detection limits afforded by ICP-MS, much work has been done in developing and evaluating analytical methods to support the analysis of elemental impurities in finished pharmaceutical products, active pharmaceutical ingredients, and excipients by this analytical technique. In this study, we have evaluated the use of axial ICP-AES. This employs ultrasonic nebulization (UN) for the determination of Class 1 and 2 EI, instead of traditional pneumatic nebulization. The study also employed closed vessel MWAD to prepare samples for analysis. Limits of quantitation were element specific and significantly lower than the PDEs for oral drugs. Spike recoveries for the elements studied ranged between 89.3% and 109.25%, except for Os, which was subject to OsO4 formation during MWAD. The use of axial ICP-AES UN provides an alternative to ICP-MS in the analysis of EI requiring low detection limits. Copyright © 2018 Elsevier B.V. All rights reserved.

  16. Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

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

    Soudackov, Alexander V.; Hammes-Schiffer, Sharon

    2015-11-21

    Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency proton donor-acceptor vibrational modes. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term in the framework of the cumulant expansion framework may significantly impact the rate constants at highmore » temperatures for proton transfer interfaces with soft proton donor-acceptor modes that are associated with small force constants and weak hydrogen bonds. The effects of the quadratic term may also become significant in these regimes when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant. In this case, however, the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances sampled. The effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances. Additionally, the rigorous relation between the cumulant expansion and thermal averaging approaches is clarified. In particular, the cumulant expansion rate constant includes effects from dynamical interference between the proton donor-acceptor and solvent motions and becomes equivalent to the thermally averaged rate constant when these dynamical effects are neglected. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton transfer and proton-coupled electron transfer in chemical and biological processes.« less

  17. Triacylglycerol stereospecific analysis and linear discriminant analysis for milk speciation.

    PubMed

    Blasi, Francesca; Lombardi, Germana; Damiani, Pietro; Simonetti, Maria Stella; Giua, Laura; Cossignani, Lina

    2013-05-01

    Product authenticity is an important topic in dairy sector. Dairy products sold for public consumption must be accurately labelled in accordance with the contained milk species. Linear discriminant analysis (LDA), a common chemometric procedure, has been applied to fatty acid% composition to classify pure milk samples (cow, ewe, buffalo, donkey, goat). All original grouped cases were correctly classified, while 90% of cross-validated grouped cases were correctly classified. Another objective of this research was the characterisation of cow-ewe milk mixtures in order to reveal a common fraud in dairy field, that is the addition of cow to ewe milk. Stereospecific analysis of triacylglycerols (TAG), a method based on chemical-enzymatic procedures coupled with chromatographic techniques, has been carried out to detect fraudulent milk additions, in particular 1, 3, 5% cow milk added to ewe milk. When only TAG composition data were used for the elaboration, 75% of original grouped cases were correctly classified, while totally correct classified samples were obtained when both total and intrapositional TAG data were used. Also the results of cross validation were better when TAG stereospecific analysis data were considered as LDA variables. In particular, 100% of cross-validated grouped cases were obtained when 5% cow milk mixtures were considered.

  18. Design and implementation of software for automated quality control and data analysis for a complex LC/MS/MS assay for urine opiates and metabolites.

    PubMed

    Dickerson, Jane A; Schmeling, Michael; Hoofnagle, Andrew N; Hoffman, Noah G

    2013-01-16

    Mass spectrometry provides a powerful platform for performing quantitative, multiplexed assays in the clinical laboratory, but at the cost of increased complexity of analysis and quality assurance calculations compared to other methodologies. Here we describe the design and implementation of a software application that performs quality control calculations for a complex, multiplexed, mass spectrometric analysis of opioids and opioid metabolites. The development and implementation of this application improved our data analysis and quality assurance processes in several ways. First, use of the software significantly improved the procedural consistency for performing quality control calculations. Second, it reduced the amount of time technologists spent preparing and reviewing the data, saving on average over four hours per run, and in some cases improving turnaround time by a day. Third, it provides a mechanism for coupling procedural and software changes with the results of each analysis. We describe several key details of the implementation including the use of version control software and automated unit tests. These generally useful software engineering principles should be considered for any software development project in the clinical lab. Copyright © 2012 Elsevier B.V. All rights reserved.

  19. Field Telemetry of Blade-rotor Coupled Torsional Vibration at Matuura Power Station Number 1 Unit

    NASA Technical Reports Server (NTRS)

    Isii, Kuniyoshi; Murakami, Hideaki; Otawara, Yasuhiko; Okabe, Akira

    1991-01-01

    The quasi-modal reduction technique and finite element model (FEM) were used to construct an analytical model for the blade-rotor coupled torsional vibration of a steam turbine generator of the Matuura Power Station. A single rotor test was executed in order to evaluate umbrella vibration characteristics. Based on the single rotor test results and the quasi-modal procedure, the total rotor system was analyzed to predict coupled torsional frequencies. Finally, field measurement of the vibration of the last stage buckets was made, which confirmed that the double synchronous resonance was 124.2 Hz, meaning that the machine can be safely operated. The measured eigen values are very close to the predicted value. The single rotor test and this analytical procedure thus proved to be a valid technique to estimate coupled torsional vibration.

  20. Coupling of metal-organic frameworks-containing monolithic capillary-based selective enrichment with matrix-assisted laser desorption ionization-time-of-flight mass spectrometry for efficient analysis of protein phosphorylation.

    PubMed

    Li, Daojin; Yin, Danyang; Chen, Yang; Liu, Zhen

    2017-05-19

    Protein phosphorylation is a major post-translational modification, which plays a vital role in cellular signaling of numerous biological processes. Mass spectrometry (MS) has been an essential tool for the analysis of protein phosphorylation, for which it is a key step to selectively enrich phosphopeptides from complex biological samples. In this study, metal-organic frameworks (MOFs)-based monolithic capillary has been successfully prepared as an effective sorbent for the selective enrichment of phosphopeptides and has been off-line coupled with matrix-assisted laser desorption ionization-time-of-flight mass spectrometry (MALDI-TOF MS) for efficient analysis of phosphopeptides. Using š-casein as a representative phosphoprotein, efficient phosphorylation analysis by this off-line platform was verified. Phosphorylation analysis of a nonfat milk sample was also demonstrated. Through introducing large surface areas and highly ordered pores of MOFs into monolithic column, the MOFs-based monolithic capillary exhibited several significant advantages, such as excellent selectivity toward phosphopeptides, superb tolerance to interference and simple operation procedure. Because of these highly desirable properties, the MOFs-based monolithic capillary could be a useful tool for protein phosphorylation analysis. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Improved Helicopter Rotor Performance Prediction through Loose and Tight CFD/CSD Coupling

    NASA Astrophysics Data System (ADS)

    Ickes, Jacob C.

    Helicopters and other Vertical Take-Off or Landing (VTOL) vehicles exhibit an interesting combination of structural dynamic and aerodynamic phenomena which together drive the rotor performance. The combination of factors involved make simulating the rotor a challenging and multidisciplinary effort, and one which is still an active area of interest in the industry because of the money and time it could save during design. Modern tools allow the prediction of rotorcraft physics from first principles. Analysis of the rotor system with this level of accuracy provides the understanding necessary to improve its performance. There has historically been a divide between the comprehensive codes which perform aeroelastic rotor simulations using simplified aerodynamic models, and the very computationally intensive Navier-Stokes Computational Fluid Dynamics (CFD) solvers. As computer resources become more available, efforts have been made to replace the simplified aerodynamics of the comprehensive codes with the more accurate results from a CFD code. The objective of this work is to perform aeroelastic rotorcraft analysis using first-principles simulations for both fluids and structural predictions using tools available at the University of Toledo. Two separate codes are coupled together in both loose coupling (data exchange on a periodic interval) and tight coupling (data exchange each time step) schemes. To allow the coupling to be carried out in a reliable and efficient way, a Fluid-Structure Interaction code was developed which automatically performs primary functions of loose and tight coupling procedures. Flow phenomena such as transonics, dynamic stall, locally reversed flow on a blade, and Blade-Vortex Interaction (BVI) were simulated in this work. Results of the analysis show aerodynamic load improvement due to the inclusion of the CFD-based airloads in the structural dynamics analysis of the Computational Structural Dynamics (CSD) code. Improvements came in the form of improved peak/trough magnitude prediction, better phase prediction of these locations, and a predicted signal with a frequency content more like the flight test data than the CSD code acting alone. Additionally, a tight coupling analysis was performed as a demonstration of the capability and unique aspects of such an analysis. This work shows that away from the center of the flight envelope, the aerodynamic modeling of the CSD code can be replaced with a more accurate set of predictions from a CFD code with an improvement in the aerodynamic results. The better predictions come at substantially increased computational costs between 1,000 and 10,000 processor-hours.

  2. 40 CFR 201.26 - Procedures for the measurement on receiving property of retarder and car coupling noise.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... receiving property of retarder and car coupling noise. 201.26 Section 201.26 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) NOISE ABATEMENT PROGRAMS NOISE EMISSION STANDARDS FOR TRANSPORTATION... receiving property of retarder and car coupling noise. (a) Retarders—(1) Microphone. The microphone must be...

  3. Z-Selective iridium-catalyzed cross-coupling of allylic carbonates and α-diazo esters† †Electronic supplementary information (ESI) available: Full procedures, computational details and characterization data. See DOI: 10.1039/c7sc04283c

    PubMed Central

    Thomas, Bryce N.; Moon, Patrick J.; Yin, Shengkang; Brown, Alex

    2017-01-01

    A well-defined Ir–allyl complex catalyzes the Z-selective cross-coupling of allyl carbonates with α-aryl diazo esters. The process overrides the large thermodynamic preference for E-products typically observed in metal-mediated coupling reactions to enable the synthesis of Z,E-dieneoates in good yield with selectivities consistently approaching or greater than 90 : 10. This transformation represents the first productive merger of Ir–carbene and Ir–allyl species, which are commonly encountered intermediates in allylation and cyclopropanation/E–H insertion catalysis. Potentially reactive functional groups (aryl halides, ketones, nitriles, olefins, amines) are tolerated owing to the mildness of reaction conditions. Kinetic analysis of the reaction suggests oxidative addition of the allyl carbonate to an Ir-species is rate-determining. Mechanistic studies uncovered a pathway for catalyst activation mediated by NEt3. PMID:29629093

  4. An investigation of angular stiffness and damping coefficients of an axial spline coupling in high-speed rotating machinery

    NASA Technical Reports Server (NTRS)

    Ku, C.-P. Roger; Walton, James F., Jr.; Lund, Jorgen W.

    1994-01-01

    This paper provided an opportunity to quantify the angular stiffness and equivalent viscous damping coefficients of an axial spline coupling used in high-speed turbomachinery. A unique test methodology and data reduction procedures were developed. The bending moments and angular deflections transmitted across an axial spline coupling were measured while a nonrotating shaft was excited by an external shaker. A rotor dynamics computer program was used to simulate the test conditions and to correlate the angular stiffness and damping coefficients. In addition, sensitivity analyses were performed to show that the accuracy of the dynamic coefficients do not rely on the accuracy of the data reduction procedures.

  5. Determination of hydroxyaromatic compounds in water by solid-phase microextraction coupled to high-performance liquid chromatography.

    PubMed

    Wu, Y C; Huang, S D

    1999-03-12

    Solid-phase microextraction (SPME) coupled with high-performance liquid chromatography (HPLC) for the analysis of hydroxyaromatic compounds is described. Three kinds of fibers [50 microns carbowax-templated resin (CW-TPR), 60 microns polydimethylsiloxane-divinylbenzene (PDMS-DVB) and 85 microns polyacrylate (PA) fibers] were evaluated. CW-TPR and PDMS-DVB were selected for further study. The parameters of the desorption procedure (such as desorption mode, the composition of the solvent for desorption and the duration of fiber soaking) were studied and optimized. The effect of the structure and physical properties of analytes, carryover, duration of absorption, temperature of absorption, pH and ionic strength of samples were also investigated. The method was applied to environmental samples (lake water) using a simple calibration curve.

  6. Determination of biomass burning tracers in air samples by GC/MS

    NASA Astrophysics Data System (ADS)

    Janoszka, Katarzyna

    2018-01-01

    Levoglucosan (LG) as a main cellulose burning product at 300°C is a biomass burning tracer. LG characterize by relatively high molar mass and it is sorbed by particulate matter. In the study of air pollution monitoring LG is mainly analyzed in particulate matter, PM1 and PM2,5. The tracer create relatively high O-H…O bond and weaker C-H…O bond. Due to the hydrogen bond, LG dissolves very well in water. Analytical procedure of LG determination include: extraction, derivatization and analysis by gas chromatography coupled with mass spectrometry detector. In water samples levoglucosan is determined by liquid chromatography. The paper presents a methodology for particulate matter samples determination their analysis by gas chromatography coupled with a mass spectrometry detector. Determination of LG content in particulate matter was performed according to an analytical method based on simultaneous pyridine extraction and derivatization using N,O-bis (trimethylsilyl) trifluoroacetamide and trimethylchlorosilane mixture (BSTFA: TMCS, 99: 1).

  7. Evaluation of coupling terms between intra- and intermolecular vibrations in coarse-grained normal-mode analysis: does a stronger acid make a stiffer hydrogen bond?

    PubMed

    Houjou, Hirohiko

    2011-10-21

    Using theory of harmonic normal-mode vibration analysis, we developed a procedure for evaluating the anisotropic stiffness of intermolecular forces. Our scheme for coarse-graining of molecular motions is modified so as to account for intramolecular vibrations in addition to relative translational/rotational displacement. We applied this new analytical scheme to four carboxylic acid dimers, for which coupling between intra- and intermolecular vibrations is crucial for determining the apparent stiffness of the intermolecular double hydrogen bond. The apparent stiffness constant was analyzed on the basis of a conjunct spring model, which defines contributions from true intermolecular stiffness and molecular internal stiffness. Consequently, the true intermolecular stiffness was in the range of 43-48 N m(-1) for all carboxylic acids studied, regardless of the molecules' acidity. We concluded that the difference in the apparent stiffness can be attributed to differences in the internal stiffness of the respective molecules. © 2011 American Institute of Physics

  8. Evaluation of coupling terms between intra- and intermolecular vibrations in coarse-grained normal-mode analysis: Does a stronger acid make a stiffer hydrogen bond?

    NASA Astrophysics Data System (ADS)

    Houjou, Hirohiko

    2011-10-01

    Using theory of harmonic normal-mode vibration analysis, we developed a procedure for evaluating the anisotropic stiffness of intermolecular forces. Our scheme for coarse-graining of molecular motions is modified so as to account for intramolecular vibrations in addition to relative translational/rotational displacement. We applied this new analytical scheme to four carboxylic acid dimers, for which coupling between intra- and intermolecular vibrations is crucial for determining the apparent stiffness of the intermolecular double hydrogen bond. The apparent stiffness constant was analyzed on the basis of a conjunct spring model, which defines contributions from true intermolecular stiffness and molecular internal stiffness. Consequently, the true intermolecular stiffness was in the range of 43-48 N m-1 for all carboxylic acids studied, regardless of the molecules' acidity. We concluded that the difference in the apparent stiffness can be attributed to differences in the internal stiffness of the respective molecules.

  9. Comprehensive analysis of helicopters with bearingless rotors

    NASA Technical Reports Server (NTRS)

    Murthy, V. R.

    1988-01-01

    A modified Galerkin method is developed to analyze the dynamic problems of multiple-load-path bearingless rotor blades. The development and selection of functions are quite parallel to CAMRAD procedures, greatly facilitating the implementation of the method into the CAMRAD program. A software is developed implementing the modified Galerkin method to determine free vibration characteristics of multiple-load-path rotor blades undergoing coupled flapwise bending, chordwise bending, twisting, and extensional motions. Results are in the process of being obtained by debugging the software.

  10. Nonlinear mechanical behavior of thermoplastic matrix materials for advanced composites

    NASA Technical Reports Server (NTRS)

    Arenz, R. J.; Landel, R. F.

    1989-01-01

    Two recent theories of nonlinear mechanical response are quantitatively compared and related to experimental data. Computer techniques are formulated to handle the numerical integration and iterative procedures needed to solve the associated sets of coupled nonlinear differential equations. Problems encountered during these formulations are discussed and some open questions described. Bearing in mind these cautions, the consequences of changing parameters that appear in the formulations on the resulting engineering properties are discussed. Hence, engineering approaches to the analysis of thermoplastic matrix material can be suggested.

  11. Ground coupled solar heat pumps: analysis of four options

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

    Andrews, J.W.

    Heat pump systems which utilize both solar energy and energy withdrawn from the ground are analyzed using a simplified procedure which optimizes the solar storage temperature on a monthly basis. Four ways of introducing collected solar energy to the system are optimized and compared. These include use of actively collected thermal input to the heat pump; use of collected solar energy to heat the load directly (two different ways); and use of a passive option to reduce the effective heating load.

  12. Evaporation Rates of Chemical Warfare Agents Using 5-CM Wind Tunnels I. CASARM Sulfur Mustard (HD) from Glass

    DTIC Science & Technology

    2008-10-01

    Blank CONTENTS 1. INTRODUCTION 9 2. EXPERIMENTAL PROCEDURES 9 2.1 Wind Tunnel 9 2.2 Agent 10 2.3 Gas Chromatography /Mass Spectrometry Detection 10...protective equipment. 2.3 Gas Chromatography /Mass Spectrometry Detection (GC/MSD) The GC/MSD analysis of the thermal desorption tubes was performed on a...coupled to thermal desorption tubes that were analyzed using gas chromatography /mass spectrometry detection (GC/MSD). Differences between the tunnels

  13. Numerical solution of fluid flow and heat tranfer problems with surface radiation

    NASA Technical Reports Server (NTRS)

    Ahuja, S.; Bhatia, K.

    1995-01-01

    This paper presents a numerical scheme, based on the finite element method, to solve strongly coupled fluid flow and heat transfer problems. The surface radiation effect for gray, diffuse and isothermal surfaces is considered. A procedure for obtaining the view factors between the radiating surfaces is discussed. The overall solution strategy is verified by comparing the available results with those obtained using this approach. An analysis of a thermosyphon is undertaken and the effect of considering the surface radiation is clearly explained.

  14. Report on Development of CFEA (Collective Front-End Analysis) Procedures: Specification of CFEA Model & Results of the HAWK CFEA

    DTIC Science & Technology

    1985-03-01

    0423 9. PERFORMING ORGANIZATION NAME AND ADDRESS 10. PROGRAM ELEMENT, PROJECT, TASK AREA & WORK UNIT NUMBERSApplied Science Associates, Inc. AREAOU U...the workload on the user and help organize the massive amounts of data involved, job aids have been developed for CFEA users. A trial CFEA was conducted...coupled with the complex and massive nature of a CFEA of a battalion-sized [ organization could make the prospect of conducting a CFEA seem a bit over

  15. Initial Parameter Estimation for Inverse Thermal Analysis of Ti-6Al-4V Deep Penetration Welds

    DTIC Science & Technology

    2014-05-16

    theory, for the case of deep-penetration welding, is simulation of the coupling of keyhole formation, melting, fluid flow in the weld melt pool and...isothermal boundaires, e.g., TTB and TM. A specific procedure for interpolation, however, has not been considered. For the present study, the close ...Clarendon Press, Oxford, 2nd ed, 374, 1959. 19. R. Rai, J.W. Elmer, T.A. Palmer, T. DebRoy, Heat Transfer and Fluid Flow During Keyhole Mode Laser Welding

  16. C–C Cross-Coupling Reactions of O6-Alkyl-2-Haloinosine Derivatives and a One-Pot Cross-Coupling/O6-Deprotection Procedure

    PubMed Central

    Gurram, Venkateshwarlu; Pottabathini, Narender; Garlapati, Ramesh; Chaudhary, Avinash B.; Patro, Balaram; Lakshman, Mahesh K.

    2012-01-01

    Reaction conditions for the C–C cross-coupling of O6-alkyl-2-bromo- and 2-chloroinosine derivatives with aryl-, hetaryl-, and alkylboronic acids were studied. Optimization experiments with silyl-protected 2-bromo-O6-methylinosine led to the identification of [PdCl2(dcpf)]/K3PO4 in 1,4-dioxane as the best condition for these reactions (dcpf = 1,1’-bis(dicyclohexylphosphino)ferrocene). Attempted O6-demethylation, as well as the replacement of the C-6 methoxy group by amines, was unsuccessful, which led to the consideration of Pd-cleavable groups such that C–C cross-coupling and O6-deprotection could be accomplished in a single step. Thus, inosine 2-chloro-O6-allylinosine was chosen as the substrate and, after re-evaluation of the cross-coupling conditions with 2-chloro-O6-methylinosine as a model substrate, one-step C–C cross-coupling/deprotection reactions were performed with the O6-allyl analogue. These reactions are the first such examples of a one-pot procedure for the modification and deprotection of purine nucleosides under C–C cross-coupling conditions. PMID:22570232

  17. A hybrid framework for coupling arbitrary summation-by-parts schemes on general meshes

    NASA Astrophysics Data System (ADS)

    Lundquist, Tomas; Malan, Arnaud; Nordström, Jan

    2018-06-01

    We develop a general interface procedure to couple both structured and unstructured parts of a hybrid mesh in a non-collocated, multi-block fashion. The target is to gain optimal computational efficiency in fluid dynamics simulations involving complex geometries. While guaranteeing stability, the proposed procedure is optimized for accuracy and requires minimal algorithmic modifications to already existing schemes. Initial numerical investigations confirm considerable efficiency gains compared to non-hybrid calculations of up to an order of magnitude.

  18. Understanding the contamination of food with mineral oil: the need for a confirmatory analytical and procedural approach.

    PubMed

    Spack, Lionel W; Leszczyk, Gabriela; Varela, Jesus; Simian, Hervé; Gude, Thomas; Stadler, Richard H

    2017-06-01

    The contamination of food by mineral oil hydrocarbons (MOHs) found in packaging is a long-running concern. A main source of MOHs in foods is the migration of mineral oil from recycled board into the packed food products. Consequently, the majority of food manufacturers have taken protective measures, e.g., by using virgin board instead of recycled fibres and, where feasible, introducing functional barriers to mitigate migration. Despite these protective measures, MOHs may still be observed in low amounts in certain food products, albeit due to different entry points across the food supply chain. In this study, we successfully apply gas chromatography coupled to mass spectrometry (GC-MS) to demonstrate, through marker compounds and the profile of the hydrocarbon response, the possible source of contamination using mainly chocolate and cereals as food matrices. The conventional liquid chromatography-one-dimensional GC coupled to a flame ionisation detector (LC-GC-FID) is a useful screening method, but in cases of positive samples it must be complemented by a confirmatory method such as, for example, GC-MS, allowing a verification of mineral oil contamination. The procedural approach proposed in this study entails profile analysis, marker identification, and interpretation and final quantification.

  19. Fast quantification of short chain fatty acids and ketone bodies by liquid chromatography-tandem mass spectrometry after facile derivatization coupled with liquid-liquid extraction.

    PubMed

    Zeng, Mingfei; Cao, Huachuan

    2018-04-15

    Short chain fatty acids (SCFA) and ketone bodies recently emerged as important physiological relevant metabolites because of their association with microbiota, immunology, obesity and other metabolic states. They were commonly analyzed by GC-MS with long run time and laborious sample preparation. In this study we developed a novel LC-MS/MS method using fast derivatization coupled with liquid-liquid extraction to detect SCFA and ketone bodies in plasma and feces. Several different derivatization reagents were evaluated to compare the efficiency, the sensitivity and chromatographic separation of structural isomers. O‑benzylhydroxylamine was selected for its superior overall performance in reaction time and isomeric separation that allowed the measurement of each SCFAs and ketone bodies free from interferences. The derivatization procedure is facile and reproducible in aqueous-organic medium, which abolished the evaporation procedure hampering the analysis of volatile short chain acids. Enhancement in sensitivity remarkably improved the detection limit of SCFA and ketone bodies to sub-fmol level. This novel method was applied to quantify these metabolites in fecal and plasma samples from lean and DIO mouse. Copyright © 2018 Elsevier B.V. All rights reserved.

  20. Fully-coupled analysis of jet mixing problems. Three-dimensional PNS model, SCIP3D

    NASA Technical Reports Server (NTRS)

    Wolf, D. E.; Sinha, N.; Dash, S. M.

    1988-01-01

    Numerical procedures formulated for the analysis of 3D jet mixing problems, as incorporated in the computer model, SCIP3D, are described. The overall methodology closely parallels that developed in the earlier 2D axisymmetric jet mixing model, SCIPVIS. SCIP3D integrates the 3D parabolized Navier-Stokes (PNS) jet mixing equations, cast in mapped cartesian or cylindrical coordinates, employing the explicit MacCormack Algorithm. A pressure split variant of this algorithm is employed in subsonic regions with a sublayer approximation utilized for treating the streamwise pressure component. SCIP3D contains both the ks and kW turbulence models, and employs a two component mixture approach to treat jet exhausts of arbitrary composition. Specialized grid procedures are used to adjust the grid growth in accordance with the growth of the jet, including a hybrid cartesian/cylindrical grid procedure for rectangular jets which moves the hybrid coordinate origin towards the flow origin as the jet transitions from a rectangular to circular shape. Numerous calculations are presented for rectangular mixing problems, as well as for a variety of basic unit problems exhibiting overall capabilities of SCIP3D.

  1. Effect of sample preparation procedure for the determination of As, Sb and Se in fruit juices by HG-ICP-OES.

    PubMed

    Welna, Maja; Szymczycha-Madeja, Anna

    2014-09-15

    Various sample preparation procedures for the simultaneous determination of As, Sb and Se in fruit juices by hydride generation inductively coupled plasma optical emission spectrometry (HG-ICP-OES) were examined. Applicability of total wet digestion with HNO3/H2O2, partial decomposition (solubilisation in aqua regia), 1:1 dilution with 2% (v/v) HNO3 and direct analysis were evaluated. Hydrides were generated in the reaction of an acidified sample with NaBH4 after pre-reduction with KI-ascorbic acid for total As and Sb, and boiling with HCl for total Se. Best results, i.e. limits of detection (LODs) of 0.51-0.73 ng mL(-1), precision (RSD) within 1.7-3.6% and recoveries for spiked samples between 101% and 106% were found using aqua regia treatment. This procedure simplifying and improving sample preparation step prior to As, Sb and Se measurements in fruit juices by HG-ICP-OES, thus could be adequate for the routine analysis in terms of the quality control of these drinks. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. Aeromechanical stability of a hingeless rotor in hover and forward flight: Analysis and wind tunnel tests

    NASA Technical Reports Server (NTRS)

    Yeager, W. T., Jr.; Hamouda, M. N. H.; Mantay, W. R.

    1983-01-01

    A research effort of analysis and testing was conducted to investigate the ground resonance phenomenon of a soft in-plane hingeless rotor. Experimental data were obtained using a 9 ft. (2.74 m) diameter model rotor in hover and forward flight. Eight model rotor configurations were investigated. Configuration parameters included pitch flap coupling, blade sweep and droop, and precone of the blade feathering axis. An analysis based on a comprehensive analytical model of rotorcraft aerodynamics and dynamics was used. The moving block was used to experimentally determine the regressing lead lag mode damping. Good agreement was obtained between the analysis and test. Both analysis and experiment indicated ground resonance instability in hover. An outline of the analysis, a description of the experimental model and procedures, and comparison of the analytical and experimental data are presented.

  3. Fast inference of interactions in assemblies of stochastic integrate-and-fire neurons from spike recordings.

    PubMed

    Monasson, Remi; Cocco, Simona

    2011-10-01

    We present two Bayesian procedures to infer the interactions and external currents in an assembly of stochastic integrate-and-fire neurons from the recording of their spiking activity. The first procedure is based on the exact calculation of the most likely time courses of the neuron membrane potentials conditioned by the recorded spikes, and is exact for a vanishing noise variance and for an instantaneous synaptic integration. The second procedure takes into account the presence of fluctuations around the most likely time courses of the potentials, and can deal with moderate noise levels. The running time of both procedures is proportional to the number S of spikes multiplied by the squared number N of neurons. The algorithms are validated on synthetic data generated by networks with known couplings and currents. We also reanalyze previously published recordings of the activity of the salamander retina (including from 32 to 40 neurons, and from 65,000 to 170,000 spikes). We study the dependence of the inferred interactions on the membrane leaking time; the differences and similarities with the classical cross-correlation analysis are discussed.

  4. Numerical difficulties and computational procedures for thermo-hydro-mechanical coupled problems of saturated porous media

    NASA Astrophysics Data System (ADS)

    Simoni, L.; Secchi, S.; Schrefler, B. A.

    2008-12-01

    This paper analyses the numerical difficulties commonly encountered in solving fully coupled numerical models and proposes a numerical strategy apt to overcome them. The proposed procedure is based on space refinement and time adaptivity. The latter, which in mainly studied here, is based on the use of a finite element approach in the space domain and a Discontinuous Galerkin approximation within each time span. Error measures are defined for the jump of the solution at each time station. These constitute the parameters allowing for the time adaptivity. Some care is however, needed for a useful definition of the jump measures. Numerical tests are presented firstly to demonstrate the advantages and shortcomings of the method over the more traditional use of finite differences in time, then to assess the efficiency of the proposed procedure for adapting the time step. The proposed method reveals its efficiency and simplicity to adapt the time step in the solution of coupled field problems.

  5. Generic Procedure for Coupling the PHREEQC Geochemical Modeling Framework with Flow and Solute Transport Simulators

    NASA Astrophysics Data System (ADS)

    Wissmeier, L. C.; Barry, D. A.

    2009-12-01

    Computer simulations of water availability and quality play an important role in state-of-the-art water resources management. However, many of the most utilized software programs focus either on physical flow and transport phenomena (e.g., MODFLOW, MT3DMS, FEFLOW, HYDRUS) or on geochemical reactions (e.g., MINTEQ, PHREEQC, CHESS, ORCHESTRA). In recent years, several couplings between both genres of programs evolved in order to consider interactions between flow and biogeochemical reactivity (e.g., HP1, PHWAT). Software coupling procedures can be categorized as ‘close couplings’, where programs pass information via the memory stack at runtime, and ‘remote couplings’, where the information is exchanged at each time step via input/output files. The former generally involves modifications of software codes and therefore expert programming skills are required. We present a generic recipe for remotely coupling the PHREEQC geochemical modeling framework and flow and solute transport (FST) simulators. The iterative scheme relies on operator splitting with continuous re-initialization of PHREEQC and the FST of choice at each time step. Since PHREEQC calculates the geochemistry of aqueous solutions in contact with soil minerals, the procedure is primarily designed for couplings to FST’s for liquid phase flow in natural environments. It requires the accessibility of initial conditions and numerical parameters such as time and space discretization in the input text file for the FST and control of the FST via commands to the operating system (batch on Windows; bash/shell on Unix/Linux). The coupling procedure is based on PHREEQC’s capability to save the state of a simulation with all solid, liquid and gaseous species as a PHREEQC input file by making use of the dump file option in the TRANSPORT keyword. The output from one reaction calculation step is therefore reused as input for the following reaction step where changes in element amounts due to advection/dispersion are introduced as irreversible reactions. An example for the coupling of PHREEQC and MATLAB for the solution of unsaturated flow and transport is provided.

  6. Small wind turbine performance evaluation using field test data and a coupled aero-electro-mechanical model

    NASA Astrophysics Data System (ADS)

    Wallace, Brian D.

    A series of field tests and theoretical analyses were performed on various wind turbine rotor designs at two Penn State residential-scale wind-electric facilities. This work involved the prediction and experimental measurement of the electrical and aerodynamic performance of three wind turbines; a 3 kW rated Whisper 175, 2.4 kW rated Skystream 3.7, and the Penn State designed Carolus wind turbine. Both the Skystream and Whisper 175 wind turbines are OEM blades which were originally installed at the facilities. The Carolus rotor is a carbon-fiber composite 2-bladed machine, designed and assembled at Penn State, with the intent of replacing the Whisper 175 rotor at the off-grid system. Rotor aerodynamic performance is modeled using WT_Perf, a National Renewable Energy Laboratory developed Blade Element Momentum theory based performance prediction code. Steady-state power curves are predicted by coupling experimentally determined electrical characteristics with the aerodynamic performance of the rotor simulated with WT_Perf. A dynamometer test stand is used to establish the electromechanical efficiencies of the wind-electric system generator. Through the coupling of WT_Perf and dynamometer test results, an aero-electro-mechanical analysis procedure is developed and provides accurate predictions of wind system performance. The analysis of three different wind turbines gives a comprehensive assessment of the capability of the field test facilities and the accuracy of aero-electro-mechanical analysis procedures. Results from this study show that the Carolus and Whisper 175 rotors are running at higher tip-speed ratios than are optimum for power production. The aero-electro-mechanical analysis predicted the high operating tip-speed ratios of the rotors and was accurate at predicting output power for the systems. It is shown that the wind turbines operate at high tip-speeds because of a miss-match between the aerodynamic drive torque and the operating torque of the wind-system generator. Through the change of load impedance on the wind generator, the research facility has the ability to modify the rotational speed of the wind turbines, allowing the rotors to perform closer to their optimum tip-speed. Comparisons between field test data and performance predictions show that the aero-electro-mechanical analysis was able to predict differences in power production and rotational speed which result from changes in the system load impedance.

  7. Single-step solubilization of milk samples with N,N-dimethylformamide for inductively coupled plasma-mass spectrometry analysis and classification based on their elemental composition.

    PubMed

    Azcarate, Silvana M; Savio, Marianela; Smichowski, Patricia; Martinez, Luis D; Camiña, José M; Gil, Raúl A

    2015-10-01

    A single-step procedure for trace elements analysis of milk samples is presented. Solubilization with small amounts of dymethylformamide (DMF) was assayed prior to inductively coupled plasma mass spectrometry (ICPMS) detection with a high efficiency sample introduction system. All main instrumental conditions were optimized in order to readily introduce the samples without matrix elimination. In order to assess and mitigate matrix effects in the determination of As, Cd, Co, Cu, Eu, Ga, Gd, Ge, Mn, Mo, Nb, Nd, Ni, Pb, Pr, Rb, Sm, S, Sr, Ta, Tb, V, Zn, and Zr, matrix matching calibration with (103)Rh as internal standard (IS) was performed. The obtained limits of detection were between 0.68 (Tb) and 30 (Zn) μg L(-1). For accuracy verification, certified Skim milk powder reference material (BCR 063R) was employed. The developed method was applied to trace elements analysis of commercially available milks. Principal components analysis was used to correlate the content of trace metals with the kind of milk, obtaining a classification according to adults, baby or baby fortified milks. The outcomes highlight a simple and fast approach that could be trustworthy for routine analysis, quality control and traceability of milks. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Direct analysis of textile dyes from trace fibers by automated microfluidics extraction system coupled with Q-TOF mass spectrometer for forensic applications.

    PubMed

    Sultana, Nadia; Gunning, Sean; Furst, Stephen J; Garrard, Kenneth P; Dow, Thomas A; Vinueza, Nelson R

    2018-05-19

    Textile fiber is a common form of transferable trace evidence at the crime scene. Different techniques such as microscopy or spectroscopy are currently being used for trace fiber analysis. Dye characterization in trace fiber adds an important molecular specificity during the analysis. In this study, we performed a direct trace fiber analysis method via dye characterization by a novel automated microfluidics device (MFD) dye extraction system coupled with a quadrupole-time-of-flight (Q-TOF) mass spectrometer (MS). The MFD system used an in-house made automated procedure which requires only 10μL of organic solvent for the extraction. The total extraction and identification time by the system is under 12min. A variety of sulfonated azo and anthraquinone dyes were analyzed from ∼1mm length nylon fiber samples. This methodology successfully characterized multiple dyes (≥3 dyes) from a single fiber thread. Additionally, it was possible to do dye characterization from single fibers with a diameter of ∼10μm. The MFD-MS system was used for elemental composition and isotopic distribution analysis where MFD-MS/MS was used for structural characterization of dyes on fibers. Copyright © 2018 Elsevier B.V. All rights reserved.

  9. Comprehensive Forced Response Analysis of J2X Turbine Bladed-Discs with 36- Degree Variation in CFD Loading

    NASA Technical Reports Server (NTRS)

    Elrod, David; Christensen, Eric; Brown, Andrew

    2011-01-01

    At NASA/MSFC, Structural Dynamics personnel continue to perform advanced analysis for the turbomachinery in the J2X Rocket Engine, which is under consideration for the new Space Launch System. One of the most challenging analyses in the program is predicting turbine blade structural capability. Resonance was predicted by modal analysis, so comprehensive forced response analyses using high fidelity cyclic symmetric finite element models were initiated as required. Analysis methodologies up to this point have assumed the flow field could be fully described by a sector, so the loading on every blade would be identical as it travelled through it. However, in the J2X the CFD flow field varied over the 360 deg of a revolution because of the flow speeds and tortuous axial path. MSFC therefore developed a complex procedure using Nastran Dmap's and Matlab scripts to apply this circumferentially varying loading onto the cyclically symmetric structural models to produce accurate dynamic stresses for every blade on the disk. This procedure is coupled with static, spin, and thermal loading to produce high cycle fatigue safety factors resulting in much more accurate analytical assessments of the blades.

  10. Finite Element Analysis of Poroelastic Composites Undergoing Thermal and Gas Diffusion

    NASA Technical Reports Server (NTRS)

    Salamon, N. J. (Principal Investigator); Sullivan, Roy M.; Lee, Sunpyo

    1995-01-01

    A theory for time-dependent thermal and gas diffusion in mechanically time-rate-independent anisotropic poroelastic composites has been developed. This theory advances previous work by the latter two authors by providing for critical transverse shear through a three-dimensional axisymmetric formulation and using it in a new hypothesis for determining the Biot fluid pressure-solid stress coupling factor. The derived governing equations couple material deformation with temperature and internal pore pressure and more strongly couple gas diffusion and heat transfer than the previous theory. Hence the theory accounts for the interactions between conductive heat transfer in the porous body and convective heat carried by the mass flux through the pores. The Bubnov Galerkin finite element method is applied to the governing equations to transform them into a semidiscrete finite element system. A numerical procedure is developed to solve the coupled equations in the space and time domains. The method is used to simulate two high temperature tests involving thermal-chemical decomposition of carbon-phenolic composites. In comparison with measured data, the results are accurate. Moreover unlike previous work, for a single set of poroelastic parameters, they are consistent with two measurements in a restrained thermal growth test.

  11. Optimization of coupled multiphysics methodology for safety analysis of pebble bed modular reactor

    NASA Astrophysics Data System (ADS)

    Mkhabela, Peter Tshepo

    The research conducted within the framework of this PhD thesis is devoted to the high-fidelity multi-physics (based on neutronics/thermal-hydraulics coupling) analysis of Pebble Bed Modular Reactor (PBMR), which is a High Temperature Reactor (HTR). The Next Generation Nuclear Plant (NGNP) will be a HTR design. The core design and safety analysis methods are considerably less developed and mature for HTR analysis than those currently used for Light Water Reactors (LWRs). Compared to LWRs, the HTR transient analysis is more demanding since it requires proper treatment of both slower and much longer transients (of time scale in hours and days) and fast and short transients (of time scale in minutes and seconds). There is limited operation and experimental data available for HTRs for validation of coupled multi-physics methodologies. This PhD work developed and verified reliable high fidelity coupled multi-physics models subsequently implemented in robust, efficient, and accurate computational tools to analyse the neutronics and thermal-hydraulic behaviour for design optimization and safety evaluation of PBMR concept The study provided a contribution to a greater accuracy of neutronics calculations by including the feedback from thermal hydraulics driven temperature calculation and various multi-physics effects that can influence it. Consideration of the feedback due to the influence of leakage was taken into account by development and implementation of improved buckling feedback models. Modifications were made in the calculation procedure to ensure that the xenon depletion models were accurate for proper interpolation from cross section tables. To achieve this, the NEM/THERMIX coupled code system was developed to create the system that is efficient and stable over the duration of transient calculations that last over several tens of hours. Another achievement of the PhD thesis was development and demonstration of full-physics, three-dimensional safety analysis methodology for the PBMR to provide reference solutions. Investigation of different aspects of the coupled methodology and development of efficient kinetics treatment for the PBMR were carried out, which accounts for all feedback phenomena in an efficient manner. The OECD/NEA PBMR-400 coupled code benchmark was used as a test matrix for the proposed investigations. The integrated thermal-hydraulics and neutronics (multi-physics) methods were extended to enable modeling of a wider range of transients pertinent to the PBMR. First, the effect of the spatial mapping schemes (spatial coupling) was studied and quantified for different types of transients, which resulted in implementation of improved mapping methodology based on user defined criteria. The second aspect that was studied and optimized is the temporal coupling and meshing schemes between the neutronics and thermal-hydraulics time step selection algorithms. The coupled code convergence was achieved supplemented by application of methods to accelerate it. Finally, the modeling of all feedback phenomena in PBMRs was investigated and a novel treatment of cross-section dependencies was introduced for improving the representation of cross-section variations. The added benefit was that in the process of studying and improving the coupled multi-physics methodology more insight was gained into the physics and dynamics of PBMR, which will help also to optimize the PBMR design and improve its safety. One unique contribution of the PhD research is the investigation of the importance of the correct representation of the three-dimensional (3-D) effects in the PBMR analysis. The performed studies demonstrated that explicit 3-D modeling of control rod movement is superior and removes the errors associated with the grey curtain (2-D homogenized) approximation.

  12. Radiation/convection coupling in rocket motors and plumes

    NASA Technical Reports Server (NTRS)

    Farmer, R. C.; Saladino, A. J.

    1993-01-01

    The three commonly used propellant systems - H2/O2, RP-1/O2, and solid propellants - primarily radiate as molecular emitters, non-scattering small particles, and scattering larger particles, respectively. Present technology has accepted the uncoupling of the radiation analysis from that of the flowfield. This approximation becomes increasingly inaccurate as one considers plumes, interior rocket chambers, and nuclear rocket propulsion devices. This study will develop a hierarchy of methods which will address radiation/convection coupling in all of the aforementioned propulsion systems. The nature of the radiation/convection coupled problem is that the divergence of the radiative heat flux must be included in the energy equation and that the local, volume-averaged intensity of the radiation must be determined by a solution of the radiative transfer equation (RTE). The intensity is approximated by solving the RTE along several lines of sight (LOS) for each point in the flowfield. Such a procedure is extremely costly; therefore, further approximations are needed. Modified differential approximations are being developed for this purpose. It is not obvious which order of approximations are required for a given rocket motor analysis. Therefore, LOS calculations have been made for typical rocket motor operating conditions in order to select the type approximations required. The results of these radiation calculations, and the interpretation of these intensity predictions are presented herein.

  13. Solid-state NMR detection of 14N-13C dipolar couplings between amino acid side groups provides constraints on amyloid fibril architecture.

    PubMed

    Middleton, David A

    2011-02-01

    Solid-state nuclear magnetic resonance (SSNMR) is a powerful technique for the structural analysis of amyloid fibrils. With suitable isotope labelling patterns, SSNMR can provide constraints on the secondary structure, alignment and registration of β-strands within amyloid fibrils and identify the tertiary and quaternary contacts defining the packing of the β-sheet layers. Detection of (14)N-(13)C dipolar couplings may provide potentially useful additional structural constraints on β-sheet packing within amyloid fibrils but has not until now been exploited for this purpose. Here a frequency-selective, transfer of population in double resonance SSNMR experiment is used to detect a weak (14)N-(13)C dipolar coupling in amyloid-like fibrils of the peptide H(2)N-SNNFGAILSS-COOH, which was uniformly (13)C and (15)N labelled across the four C-terminal amino acids. The (14)N-(13)C interatomic distance between leucine and asparagine side groups is constrained between 2.4 and 3.8 Å, which allows current structural models of the β-spine arrangement within the fibrils to be refined. This procedure could be useful for the general structural analysis of other proteins in condensed phases and environments, such as biological membranes. Copyright © 2011 John Wiley & Sons, Ltd.

  14. Identification of trace levels of selenomethionine and related organic selenium species in high-ionic-strength waters.

    PubMed

    LeBlanc, Kelly L; Ruzicka, Josef; Wallschläger, Dirk

    2016-02-01

    A new anion-exchange chromatographic separation method was used for the simultaneous speciation analysis of selenoamino acids and the more ubiquitous inorganic selenium oxyanions, selenite and selenate. For quantification, this separation was coupled to inductively coupled plasma-mass spectrometry to achieve an instrumental detection limit of 5 ng Se L(-1) for all species. This chromatographic method was also coupled to electrospray tandem mass spectrometry to observe the negative ion mode fragmentation of selenomethionine and one of its oxidation products. Low detection limits were achieved, which were similar to those obtained using inductively coupled plasma-mass spectrometry. An extensive preconcentration and cleanup procedure using cation-exchange solid-phase extraction was developed for the identification and quantification of trace levels of selenomethionine in environmental samples. Preconcentration factors of up to five were observed for selenomethionine, which in addition to the removal of high concentrations of sulphate and chloride from industrial process waters, allowed for an unambiguous analysis that would have been impossible otherwise. Following these methods, selenomethionine was identified at an original concentration of 3.2 ng Se L(-1) in samples of effluent collected at a coal-fired power plant's biological remediation site. It is the first time that this species has been identified in the environment, outside of a biological entity. Additionally, oxidation products of selenomethionine were identified in river water and laboratory algal culture samples. High-resolution mass spectrometry was employed to postulate the chemical structures of these species.

  15. Highly efficient perturbative + variational strategy based on orthogonal valence bond theory for the evaluation of magnetic coupling constants. Application to the trinuclear Cu(ii) site of multicopper oxidases.

    PubMed

    Tenti, Lorenzo; Maynau, Daniel; Angeli, Celestino; Calzado, Carmen J

    2016-07-21

    A new strategy based on orthogonal valence-bond analysis of the wave function combined with intermediate Hamiltonian theory has been applied to the evaluation of the magnetic coupling constants in two AF systems. This approach provides both a quantitative estimate of the J value and a detailed analysis of the main physical mechanisms controlling the coupling, using a combined perturbative + variational scheme. The procedure requires a selection of the dominant excitations to be treated variationally. Two methods have been employed: a brute-force selection, using a logic similar to that of the CIPSI approach, or entanglement measures, which identify the most interacting orbitals in the system. Once a reduced set of excitations (about 300 determinants) is established, the interaction matrix is dressed at the second-order of perturbation by the remaining excitations of the CI space. The diagonalization of the dressed matrix provides J values in good agreement with experimental ones, at a very low-cost. This approach demonstrates the key role of d → d* excitations in the quantitative description of the magnetic coupling, as well as the importance of using an extended active space, including the bridging ligand orbitals, for the binuclear model of the intermediates of multicopper oxidases. The method is a promising tool for dealing with complex systems containing several active centers, as an alternative to both pure variational and DFT approaches.

  16. A novel sample preparation procedure for effect-directed analysis of micro-contaminants of emerging concern in surface waters.

    PubMed

    Osorio, Victoria; Schriks, Merijn; Vughs, Dennis; de Voogt, Pim; Kolkman, Annemieke

    2018-08-15

    A novel sample preparation procedure relying on Solid Phase Extraction (SPE) combining different sorbent materials on a sequential-based cartridge was optimized and validated for the enrichment of 117 widely diverse contaminants of emerging concern (CECs) from surface waters (SW) and further combined chemical and biological analysis on subsequent extracts. A liquid chromatography coupled to high resolution tandem mass spectrometry LC-(HR)MS/MS protocol was optimized and validated for the quantitative analysis of organic CECs in SW extracts. A battery of in vitro CALUX bioassays for the assessment of endocrine, metabolic and genotoxic interference and oxidative stress were performed on the same SW extracts. Satisfactory recoveries ([70-130]%) and precision (< 30%) were obtained for the majority of compounds tested. Internal standard calibration curves used for quantification of CECs, achieved the linearity criteria (r 2 > 0.99) over three orders of magnitude. Instrumental limits of detection and method limits of quantification were of [1-96] pg injected and [0.1-58] ng/L, respectively; while corresponding intra-day and inter-day precision did not exceed 11% and 20%. The developed procedure was successfully applied for the combined chemical and toxicological assessment of SW intended for drinking water supply. Levels of compounds varied from < 10 ng/L to < 500 ng/L. Endocrine (i.e. estrogenic and anti-androgenic) and metabolic interference responses were observed. Given the demonstrated reliability of the validated sample preparation method, the authors propose its integration in an effect-directed analysis procedure for a proper evaluation of SW quality and hazard assessment of CECs. Copyright © 2018 Elsevier B.V. All rights reserved.

  17. Calculation of skin-stiffener interface stresses in stiffened composite panels

    NASA Technical Reports Server (NTRS)

    Cohen, David; Hyer, Michael W.

    1987-01-01

    A method for computing the skin-stiffener interface stresses in stiffened composite panels is developed. Both geometrically linear and nonlinear analyses are considered. Particular attention is given to the flange termination region where stresses are expected to exhibit unbounded characteristics. The method is based on a finite-element analysis and an elasticity solution. The finite-element analysis is standard, while the elasticity solution is based on an eigenvalue expansion of the stress functions. The eigenvalue expansion is assumed to be valid in the local flange termination region and is coupled with the finite-element analysis using collocation of stresses on the local region boundaries. Accuracy and convergence of the local elasticity solution are assessed using a geometrically linear analysis. Using this analysis procedure, the influence of geometric nonlinearities and stiffener parameters on the skin-stiffener interface stresses is evaluated.

  18. C-C cross-coupling reactions of O6-alkyl-2-haloinosine derivatives and a one-pot cross-coupling/O6-deprotection procedure.

    PubMed

    Gurram, Venkateshwarlu; Pottabathini, Narender; Garlapati, Ramesh; Chaudhary, Avinash B; Patro, Balaram; Lakshman, Mahesh K

    2012-08-01

    Reaction conditions for the CC cross-coupling of O(6)-alkyl-2-bromo- and 2-chloroinosine derivatives with aryl-, hetaryl-, and alkylboronic acids were studied. Optimization experiments with silyl-protected 2-bromo-O(6)-methylinosine led to the identification of [PdCl(2)(dcpf)]/K(3)PO(4) in 1,4-dioxane as the best conditions for these reactions (dcpf=1,1'-bis(dicyclohexylphosphino)ferrocene). Attempted O(6)-demethylation, as well as the replacement of the C-6 methoxy group by amines, was unsuccessful, which led to the consideration of Pd-cleavable groups such that C-C cross-coupling and O(6)-deprotection could be accomplished in a single step. Thus, inosine 2-chloro-O(6)-allylinosine was chosen as the substrate and, after re-evaluation of the cross-coupling conditions with 2-chloro-O(6)-methylinosine as a model substrate, one-step C-C cross-coupling/deprotection reactions were performed with the O(6)-allyl analogue. These reactions are the first such examples of a one-pot procedure for the modification and deprotection of purine nucleosides under C-C cross-coupling conditions. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Acoustic modeling and eigenanalysis of coupled rooms with a transparent coupling aperture of variable size

    NASA Astrophysics Data System (ADS)

    Shi, Shuangxia; Jin, Guoyong; Xiao, Bin; Liu, Zhigang

    2018-04-01

    This paper is concerned with the modeling and acoustic eigenanalysis of coupled spaces with a coupling aperture of variable size. A modeling method for this problem is developed based on the energy principle in combination with a 3D modified Fourier cosine series approach. Under this theoretical framework, the energy exchange property and acoustically transparent characteristics of the opening are taken into account via the inflow and outflow sound powers through the opening without any assumptions. The sound pressure in the subrooms is constructed in the form of the three-dimensional modified Fourier series with several auxiliary functions introduced to ensure the uniform convergence of the solution over the entire solution domain. The accuracy of the natural frequencies and mode shapes of three exemplary coupled rooms systems is verified against numerical data obtained by finite element method, with good agreement achieved. The present method offers a unified procedure for a variety of cases because the modification of any parameter from one case to another, such as the size and location of the coupling aperture, is as simple as modifying the material properties, requiring no changes to the solution procedures.

  20. Methyl oleate as matrix simulacrum for the simultaneous determination of metals in biodiesel samples by flame atomic emission spectroscopy.

    PubMed

    Cerai Ferreira, Conny; Malta Costa, Letícia; Sanches Barbeira, Paulo Jorge

    2015-06-01

    A measurement procedure for direct and simultaneous quantification of Na, K and Ca in biodiesel by flame atomic emission spectroscopy (FAES) was developed. A lab-made device was constructed by coupling a nebulizer/combustion system from a commercial photometer to a continuous emission detector in a spectral range of 255 to 862 nm. Instrumental optimizations were carried out evaluating the most important variables, such as gas flow rates and sample introduction temperature, indicating that a temperature of 50°C enhances the analytical signals and assures good precision. The direct analysis method was properly validated and presented limits of quantification of 0.09, 0.07 and 0.43 μg kg(-1) for Na, K and Ca, respectively. Accuracy of the proposed procedure was checked by comparing the results with those obtained by the standard procedure described in ABNT NBR 15556 and the standard addition method. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Two-layer convective heating prediction procedures and sensitivities for blunt body reentry vehicles

    NASA Technical Reports Server (NTRS)

    Bouslog, Stanley A.; An, Michael Y.; Wang, K. C.; Tam, Luen T.; Caram, Jose M.

    1993-01-01

    This paper provides a description of procedures typically used to predict convective heating rates to hypersonic reentry vehicles using the two-layer method. These procedures were used to compute the pitch-plane heating distributions to the Apollo geometry for a wind tunnel test case and for three flight cases. Both simple engineering methods and coupled inviscid/boundary layer solutions were used to predict the heating rates. The sensitivity of the heating results in the choice of metrics, pressure distributions, boundary layer edge conditions, and wall catalycity used in the heating analysis were evaluated. Streamline metrics, pressure distributions, and boundary layer edge properties were defined from perfect gas (wind tunnel case) and chemical equilibrium and nonequilibrium (flight cases) inviscid flow-field solutions. The results of this study indicated that the use of CFD-derived metrics and pressures provided better predictions of heating when compared to wind tunnel test data. The study also showed that modeling entropy layer swallowing and ionization had little effect on the heating predictions.

  2. Final Report on Jobin Yvon Contained Inductively Coupled Plasma Emission Spectrometer

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

    Pennebaker, F.M.

    2003-03-17

    A new Inductively Coupled Plasma -- Emission Spectrometer (ICP-ES) was recently purchased and installed in Lab B-147/151 at SRTC. The contained JY Model Ultima 170-C ICP-ES has been tested and compared to current ADS ICP-ES instrumentation. The testing has included both performance tests to evaluate instrumental ability, and the measurement of matrix standards commonly analyzed by ICP-ES at Savannah River. In developing operating procedures for this instrument, we have implemented the use of internal standards and off-peak background subtraction. Both of these techniques are recommended by EPA SW-846 ICP-ES methods and are common to current ICP-ES operations. Based on themore » testing and changes, the JY Model Ultima 170-C ICP-ES provides improved performance for elemental analysis of radioactive samples in the Analytical Development Section.« less

  3. Optimum design of high speed prop rotors including the coupling of performance, aeroelastic stability and structures

    NASA Technical Reports Server (NTRS)

    Chattopadhyay, Aditi; Mccarthy, Thomas R.; Madden, John F., III

    1992-01-01

    An optimization procedure is developed for the design of high speed prop-rotors to be used in civil tiltrotor applications. The goal is to couple aerodynamic performance, aeroelastic stability, and structural design requirements inside a closed-loop optimization procedure. The objective is to minimize the gross weight and maximize the propulsive efficiency in high speed cruise. Constraints are imposed on the rotor aeroelastic stability in both hover and cruise and rotor figure of merit in hover. Both structural and aerodynamic design variables are used.

  4. 40 CFR 201.26 - Procedures for the measurement on receiving property of retarder and car coupling noise.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... maximum A-weighted sound levels (FAST) for every retarder sound observed during the measurement period... performance as appropriate. (2) Data. The maximum A-weighted sound levels (FAST) for every car coupling impact...

  5. A simplified procedure for GC/C/IRMS analysis of underivatized 19-norandrosterone in urine following HPLC purification.

    PubMed

    de la Torre, Xavier; Colamonici, Cristiana; Curcio, Davide; Molaioni, Francesco; Pizzardi, Marta; Botrè, Francesco

    2011-04-01

    Nandrolone and/or its precursors are included in the World Anti-doping Agency (WADA) list of forbidden substances and methods and as such their use is banned in sport. 19-Norandrosterone (19-NA) the main metabolite of these compounds can also be produced endogenously. The need to establish the origin of 19-NA in human urine samples obliges the antidoping laboratories to use isotope ratio mass spectrometry (IRMS) coupled to gas chromatography (GC/C/IRMS). In this work a simple liquid chromatographic method without any additional derivatization step is proposed, allowing to drastically simplify the urine pretreatment procedure, leading to extracts free of interferences permitting precise and accurate IRMS analysis. The purity of the extracts was verified by parallel analysis by gas chromatography coupled to mass spectrometry with GC conditions identical to those of the GC/C/IRMS assay. The method has been validated according to ISO17025 requirements (within assay precision of ±0.3‰ and between assay precision of ±0.4‰). The method has been tested with samples obtained after the administration of synthetic 19-norandrostenediol and samples collected during pregnancy where 19-NA is known to be produced endogenously. Twelve drugs and synthetic standards able to produce through metabolism 19-NA have shown to present δ(13)C values around -29‰ being quite homogeneous (-28.8±1.5; mean±standard deviation) while endogenously produced 19-NA has shown values comparable to other endogenous produced steroids in the range -21 to -24‰ as already reported. The efficacy of the method was tested on real samples from routine antidoping analyses. Copyright © 2011 Elsevier Inc. All rights reserved.

  6. Fusion Bead Procedure for Nuclear Forensics Employing Synthetic Enstatite to Dissolve Uraniferous and Other Challenging Materials Prior to Laser Ablation Inductively Coupled Plasma Mass Spectrometry.

    PubMed

    Reading, David G; Croudace, Ian W; Warwick, Phillip E

    2017-06-06

    There is an increasing demand for rapid and effective analytical tools to support nuclear forensic investigations of seized or suspect materials. Some methods are simply adapted from other scientific disciplines and can effectively be used to rapidly prepare complex materials for subsequent analysis. A novel sample fusion method is developed, tested, and validated to produce homogeneous, flux-free glass beads of geochemical reference materials (GRMs), uranium ores, and uranium ore concentrates (UOC) prior to the analysis of 14 rare earth elements (REE) via laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). The novelty of the procedure is the production of glass beads using 9 parts high purity synthetic enstatite (MgSiO 3 ) as the glass former with 1 part of sample (sample mass ∼1.5 mg). The beads are rapidly prepared (∼10 min overall time) by fusing the blended mixture on an iridium strip resistance heater in an argon-purged chamber. Many elements can be measured in the glass bead, but the rare earth group in particular is a valuable series in nuclear forensic studies and is well-determined using LA-ICP-MS. The REE data obtained from the GRMs, presented as chondrite normalized patterns, are in very good agreement with consensus patterns. The UOCs have comparable patterns to solution ICP-MS methods and published data. The attractions of the current development are its conservation of sample, speed of preparation, and suitability for microbeam analysis, all of which are favorable for nuclear forensics practitioners and geochemists requiring REE patterns from scarce or valuable samples.

  7. Evaluation of nonuniform field exposures with coupling factors.

    PubMed

    Sunohara, Tetsu; Hirata, Akimasa; Laakso, Ilkka; De Santis, Valerio; Onishi, Teruo

    2015-10-21

    In this study, the safety compliance for nonuniform field exposures is discussed using coupling factor concepts. The coupling factor, which is defined in the International Electrotechnical Commission 62311 standard, is extended to consider the effects of harmonics and also to apply to the specific absorption rate (for frequencies up to 30 MHz). The proposed compliance procedure is applied to and demonstrated for a prototype wireless power transfer (WPT) system with induction coupling operating at the fundamental frequency in 140 kHz band. First, measurements confirm that the perturbation of the external magnetic field strength and S11 parameter of a one-loop antenna by a human-equivalent phantom are sufficiently small, suggesting the applicability of the magneto-quasi-static approximation to frequencies up to 30 MHz. Then, the frequency characteristics of the coupling factor are derived for the WPT system. For the prototype system that is not optimized for commercial usage, the maximum allowable transmitting power is relaxed by a factor of 23 with the proposed procedure. The contribution of the harmonics decreased the allowable transmitting power by 39%, indicating their importance for safety compliance.

  8. A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systems

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

    Liu, Wenlan; Köhn, Andreas; InnovationLab GmbH, Speyerer St. 4, D-69115 Heidelberg

    2015-08-28

    We present a general method for analyzing the character of singly excited states in terms of charge transfer (CT) and locally excited (LE) configurations. The analysis is formulated for configuration interaction singles (CIS) singly excited wave functions of aggregate systems. It also approximately works for the second-order approximate coupled cluster singles and doubles and the second-order algebraic-diagrammatic construction methods [CC2 and ADC(2)]. The analysis method not only generates a weight of each character for an excited state, but also allows to define the related quasi-diabatic states and corresponding coupling matrix elements. In the character analysis approach, we divide the targetmore » system into domains and use a modified Pipek-Mezey algorithm to localize the canonical MOs on each domain, respectively. The CIS wavefunction is then transformed into the localized basis, which allows us to partition the wavefunction into LE configurations within domains and CT configuration between pairs of different domains. Quasi-diabatic states are then obtained by mixing excited states subject to the condition of maximizing the weight of one single LE or CT configuration (localization in configuration space). Different aims of such a procedure are discussed, either the construction of pure LE and CT states for analysis purposes (by including a large number of excited states) or the construction of effective models for dynamics calculations (by including a restricted number of excited states). Applications are given to LE/CT mixing in π-stacked systems, charge-recombination matrix elements in a hetero-dimer, and excitonic couplings in multi-chromophoric systems.« less

  9. Efficient Coupling of Fluid-Plasma and Monte-Carlo-Neutrals Models for Edge Plasma Transport

    NASA Astrophysics Data System (ADS)

    Dimits, A. M.; Cohen, B. I.; Friedman, A.; Joseph, I.; Lodestro, L. L.; Rensink, M. E.; Rognlien, T. D.; Sjogreen, B.; Stotler, D. P.; Umansky, M. V.

    2017-10-01

    UEDGE has been valuable for modeling transport in the tokamak edge and scrape-off layer due in part to its efficient fully implicit solution of coupled fluid neutrals and plasma models. We are developing an implicit coupling of the kinetic Monte-Carlo (MC) code DEGAS-2, as the neutrals model component, to the UEDGE plasma component, based on an extension of the Jacobian-free Newton-Krylov (JFNK) method to MC residuals. The coupling components build on the methods and coding already present in UEDGE. For the linear Krylov iterations, a procedure has been developed to ``extract'' a good preconditioner from that of UEDGE. This preconditioner may also be used to greatly accelerate the convergence rate of a relaxed fixed-point iteration, which may provide a useful ``intermediate'' algorithm. The JFNK method also requires calculation of Jacobian-vector products, for which any finite-difference procedure is inaccurate when a MC component is present. A semi-analytical procedure that retains the standard MC accuracy and fully kinetic neutrals physics is therefore being developed. Prepared for US DOE by LLNL under Contract DE-AC52-07NA27344 and LDRD project 15-ERD-059, by PPPL under Contract DE-AC02-09CH11466, and supported in part by the U.S. DOE, OFES.

  10. Magnetic-activated cell sorting for sperm preparation reduces spermatozoa with apoptotic markers and improves the acrosome reaction in couples with unexplained infertility.

    PubMed

    Lee, Tsung-Hsien; Liu, Chung-Hsien; Shih, Yang-Tse; Tsao, Hui-Mei; Huang, Chun-Chia; Chen, Hsiu-Hui; Lee, Maw-Sheng

    2010-04-01

    Couples with unexplained infertility (UI) tend to have low fertilization rates with current IVF procedures. Here, we attempted to identify spermatozoa with apoptotic markers in couples with UI and unsuccessful intrauterine insemination (IUI) and we investigated the efficiency and benefit of magnetic-activated cell sorting (MACS) for sperm preparation in such patients. Sixty couples with UI and two IUI failures were recruited. The sperm were prepared by conventional density gradient centrifugation (DGC) and divided into two aliquots. One aliquot was used as a control and the other was further processed by MACS (D + M). Apoptotic markers were identified using fluorescence-labeled dye and flow cytometry, including externalization of phosphatidylserine (EPS), disrupted mitochondrial membrane potential (MMP) and DNA fragmentation. The fertilization potential of prepared spermatozoa was analyzed by basic semen analysis, computer-aided sperm analysis and the induced acrosome reaction test (IART). After DGC, spermatozoa showed 18.6% EPS, 28.3% disrupted MMP and 13.5% DNA fragmentation. Numbers of spermatozoa with apoptotic markers were significantly reduced by D + M, versus DGC alone (P < 0.001). Although the motility of spermatozoa was slightly decreased after MACS, most sperm motion characteristics were not impaired. Interestingly, the IART significantly improved after D + M, versus DGC alone, especially for the couples with a normal hemizona assay (P < 0.001). The spermatozoa prepared by D + M showed a reduced level of apoptotic markers. Improvement in the IART suggests a high fertilization potential of the processed spermatozoa. The identification of apoptotic markers and use of MACS may be helpful in directing the management plan for patients with UI and multiple IUI failures.

  11. Reward Value Effects on Timing in the Peak Procedure

    ERIC Educational Resources Information Center

    Galtress, Tiffany; Kirkpatrick, Kimberly

    2009-01-01

    Three experiments examined the effect of motivational variables on timing in the peak procedure. In Experiment 1, rats received a 60-s peak procedure that was coupled with long-term, between-phase changes in reinforcer magnitude. Increases in reinforcer magnitude produced a leftward shift in the peak that persisted for 20 sessions of training. In…

  12. Procedure to Generate the MPACT Multigroup Library

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

    Kim, Kang Seog

    The CASL neutronics simulator MPACT is under development for the neutronics and T-H coupled simulation for the light water reactor. The objective of this document is focused on reviewing the current procedure to generate the MPACT multigroup library. Detailed methodologies and procedures are included in this document for further discussion to improve the MPACT multigroup library.

  13. Analysis of protein prenylation and S-acylation using gas chromatography-coupled mass spectrometry.

    PubMed

    Sorek, Nadav; Akerman, Amir; Yalovsky, Shaul

    2013-01-01

    Lipid modifications play a key role in protein targeting and function. The two Arabidopsis Gγ subunits, AGG1 and AGG2, have been shown to undergo prenylation (AGG1) and S-acylation (AGG2). Prenylation involves covalent nonreversible attachment of either farnesyl (15 carbons) or geranylgeranyl (20 carbons) isoprenoids to conserved cysteine residues at or near the C-terminus of proteins. S-acylation, frequently referred to as palmitoylation, involves the attachment of acyl fatty acids to thiol groups of cysteine residues through a reversible thioester bond. The procedures described below allow direct analysis of the prenyl and acyl moieties using gas chromatography-coupled mass spectrometry (GC-MS). These methods are based on (1) cleavage of prenyl groups with the Raney nickel catalyst and (2) analysis of protein S-acylation following cleavage of the acyl fatty acids from proteins by hydrogenation with platinum (IV) oxide. The hydrogenation under these conditions causes an acid transesterification of the acyl moieties, adding an ethyl group to the carboxyl head of the fatty acid. The addition of the ethyl group reduces the polarity of the fatty acids, allowing their efficient separation by gas chromatography.

  14. Flow-batch analysis of clenbuterol based on analyte extraction on molecularly imprinted polymers coupled to an in-system chromogenic reaction. Application to human urine and milk substitute samples.

    PubMed

    González, Natalia; Grünhut, Marcos; Šrámková, Ivana; Lista, Adriana G; Horstkotte, Burkhard; Solich, Petr; Sklenářová, Hana; Acebal, Carolina C

    2018-02-01

    A fully automated spectrophotometric method based on flow-batch analysis has been developed for the determination of clenbuterol including an on-line solid phase extraction using a molecularly imprinted polymer (MIP) as the sorbent. The molecularly imprinted solid phase extraction (MISPE) procedure allowed analyte extraction from complex matrices at low concentration levels and with high selectivity towards the analyte. The MISPE procedure was performed using a commercial MIP cartridge that was introduced into a guard column holder and integrated in the analyzer system. Optimized parameters included the volume of the sample, the type and volume of the conditioning and washing solutions, and the type and volume of the eluent. Quantification of clenbuterol was carried out by spectrophotometry after in-system post-elution analyte derivatization based on azo-coupling using N- (1-Naphthyl) ethylenediamine as the coupling agent to yield a red-colored compound with maximum absorbance at 500nm. Both the chromogenic reaction and spectrophotometric detection were performed in a lab-made flow-batch mixing chamber that replaced the cuvette holder of the spectrophotometer. The calibration curve was linear in the 0.075-0.500mgL -1 range with a correlation coefficient of 0.998. The precision of the proposed method was evaluated in terms of the relative standard deviation obtaining 1.1% and 3.0% for intra-day precision and inter-day precision, respectively. The detection limit was 0.021mgL -1 and the sample throughput for the entire process was 3.4h -1 . The proposed method was applied for the determination of CLB in human urine and milk substitute samples obtaining recoveries values within a range of 94.0-100.0%. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Compositional differences among Chinese soy sauce types studied by (13)C NMR spectroscopy coupled with multivariate statistical analysis.

    PubMed

    Kamal, Ghulam Mustafa; Wang, Xiaohua; Bin Yuan; Wang, Jie; Sun, Peng; Zhang, Xu; Liu, Maili

    2016-09-01

    Soy sauce a well known seasoning all over the world, especially in Asia, is available in global market in a wide range of types based on its purpose and the processing methods. Its composition varies with respect to the fermentation processes and addition of additives, preservatives and flavor enhancers. A comprehensive (1)H NMR based study regarding the metabonomic variations of soy sauce to differentiate among different types of soy sauce available on the global market has been limited due to the complexity of the mixture. In present study, (13)C NMR spectroscopy coupled with multivariate statistical data analysis like principle component analysis (PCA), and orthogonal partial least square-discriminant analysis (OPLS-DA) was applied to investigate metabonomic variations among different types of soy sauce, namely super light, super dark, red cooking and mushroom soy sauce. The main additives in soy sauce like glutamate, sucrose and glucose were easily distinguished and quantified using (13)C NMR spectroscopy which were otherwise difficult to be assigned and quantified due to serious signal overlaps in (1)H NMR spectra. The significantly higher concentration of sucrose in dark, red cooking and mushroom flavored soy sauce can directly be linked to the addition of caramel in soy sauce. Similarly, significantly higher level of glutamate in super light as compared to super dark and mushroom flavored soy sauce may come from the addition of monosodium glutamate. The study highlights the potentiality of (13)C NMR based metabonomics coupled with multivariate statistical data analysis in differentiating between the types of soy sauce on the basis of level of additives, raw materials and fermentation procedures. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Note: Model identification and analysis of bivalent analyte surface plasmon resonance data.

    PubMed

    Tiwari, Purushottam Babu; Üren, Aykut; He, Jin; Darici, Yesim; Wang, Xuewen

    2015-10-01

    Surface plasmon resonance (SPR) is a widely used, affinity based, label-free biophysical technique to investigate biomolecular interactions. The extraction of rate constants requires accurate identification of the particular binding model. The bivalent analyte model involves coupled non-linear differential equations. No clear procedure to identify the bivalent analyte mechanism has been established. In this report, we propose a unique signature for the bivalent analyte model. This signature can be used to distinguish the bivalent analyte model from other biphasic models. The proposed method is demonstrated using experimentally measured SPR sensorgrams.

  17. Potentialities of mass spectrometry (ICP-MS) for actinides determination in urine.

    PubMed

    Bouvier-Capely, C; Ritt, J; Baglan, N; Cossonnet, C

    2004-05-01

    The applicability of inductively coupled plasma-mass spectrometry (ICP-MS) for determining actinides in urine was investigated. Performances of ICP-MS including detection limit and analysis time were studied and compared with alpha spectrometry performances. In the field of individual monitoring of workers, the comparison chart obtained in this study can be used as a guide for medical laboratories to select the most adequate procedure to be carried out depending on the case in question (the radioisotope to be measured, the required sensitivity, and the desired response time).

  18. IEEE 1990 International Symposium on Electromagnetic Compatibility, Washington, DC, Aug. 21-23, 1990, Record

    NASA Astrophysics Data System (ADS)

    The present conference discusses topics in EM shielding effectiveness, system-level EMC, EMP effects, circuit-level EMI testing, EMI control, analysis techniques for system-level EMC, EMP protective measures, EMI test methods, electrostatic-discharge testing, printed circuit-board design for EMC, and EM environment effects. Also discussed are EMI measurement procedures, EM spectrum-management issues for the 21st century, antenna and propagation effects on EMI testing, EMI control in cables, socioeconomic aspects of EMC, systemwide EMI controls, and EM radiation and coupling.

  19. Analysis of mutagenic activity of biohazardous organics in Kanawha River sediments. Technical completion report

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

    White, A.R.; Waldron, M.C.

    1988-01-01

    Residual chemical contamination of Kanawha River sediments may constitute a health hazard. Sediment cores have been analyzed using a coupled bioassay/chemical fractionation procedure. Both bacterial mutagenicity and sister chromatid exchange (SCE) analyses were conducted on sediment samples. Pocatalico River sediments extracts showed no response in either bacterial mutagenicity assay or SCE assay. Extracts from Armour Creek and the Kanawha River induced mutagenicities in the presence of S9 enzymes. The same extracts produced a significant increase in human chromosomal cross-over events.

  20. Search of low-mass WIMPs with a p -type point contact germanium detector in the CDEX-1 experiment

    NASA Astrophysics Data System (ADS)

    Zhao, W.; Yue, Q.; Kang, K. J.; Cheng, J. P.; Li, Y. J.; Wong, H. T.; Lin, S. T.; Chang, J. P.; Chen, J. H.; Chen, Q. H.; Chen, Y. H.; Deng, Z.; Du, Q.; Gong, H.; Hao, X. Q.; He, H. J.; He, Q. J.; Huang, H. X.; Huang, T. R.; Jiang, H.; Li, H. B.; Li, J.; Li, J.; Li, J. M.; Li, X.; Li, X. Y.; Li, Y. L.; Lin, F. K.; Liu, S. K.; Lü, L. C.; Ma, H.; Ma, J. L.; Mao, S. J.; Qin, J. Q.; Ren, J.; Ren, J.; Ruan, X. C.; Sharma, V.; Shen, M. B.; Singh, L.; Singh, M. K.; Soma, A. K.; Su, J.; Tang, C. J.; Wang, J. M.; Wang, L.; Wang, Q.; Wu, S. Y.; Wu, Y. C.; Xianyu, Z. Z.; Xiao, R. Q.; Xing, H. Y.; Xu, F. Z.; Xu, Y.; Xu, X. J.; Xue, T.; Yang, L. T.; Yang, S. W.; Yi, N.; Yu, C. X.; Yu, H.; Yu, X. Z.; Zeng, M.; Zeng, X. H.; Zeng, Z.; Zhang, L.; Zhang, Y. H.; Zhao, M. G.; Zhou, Z. Y.; Zhu, J. J.; Zhu, W. B.; Zhu, X. Z.; Zhu, Z. H.; CDEX Collaboration

    2016-05-01

    The CDEX-1 experiment conducted a search of low-mass (<10 GeV /c2 ) weakly interacting massive particles dark matter at the China Jinping Underground Laboratory using a p-type point-contact germanium detector with a fiducial mass of 915 g at a physics analysis threshold of 475 eVee. We report the hardware setup, detector characterization, data acquisition, and analysis procedures of this experiment. No excess of unidentified events is observed after the subtraction of the known background. Using 335.6 kg-days of data, exclusion constraints on the weakly interacting massive particle-nucleon spin-independent and spin-dependent couplings are derived.

  1. IMAT graphics manual

    NASA Technical Reports Server (NTRS)

    Stockwell, Alan E.; Cooper, Paul A.

    1991-01-01

    The Integrated Multidisciplinary Analysis Tool (IMAT) consists of a menu driven executive system coupled with a relational database which links commercial structures, structural dynamics and control codes. The IMAT graphics system, a key element of the software, provides a common interface for storing, retrieving, and displaying graphical information. The IMAT Graphics Manual shows users of commercial analysis codes (MATRIXx, MSC/NASTRAN and I-DEAS) how to use the IMAT graphics system to obtain high quality graphical output using familiar plotting procedures. The manual explains the key features of the IMAT graphics system, illustrates their use with simple step-by-step examples, and provides a reference for users who wish to take advantage of the flexibility of the software to customize their own applications.

  2. How to Combine ChIP with qPCR.

    PubMed

    Asp, Patrik

    2018-01-01

    Chromatin immunoprecipitation (ChIP) coupled with quantitative PCR (qPCR) has in the last 15 years become a basic mainstream tool in genomic research. Numerous commercially available ChIP kits, qPCR kits, and real-time PCR systems allow for quick and easy analysis of virtually anything chromatin-related as long as there is an available antibody. However, the highly accurate quantitative dimension added by using qPCR to analyze ChIP samples significantly raises the bar in terms of experimental accuracy, appropriate controls, data analysis, and data presentation. This chapter will address these potential pitfalls by providing protocols and procedures that address the difficulties inherent in ChIP-qPCR assays.

  3. Implementation details of the coupled QMR algorithm

    NASA Technical Reports Server (NTRS)

    Freund, Roland W.; Nachtigal, Noel M.

    1992-01-01

    The original quasi-minimal residual method (QMR) relies on the three-term look-ahead Lanczos process, to generate basis vectors for the underlying Krylov subspaces. However, empirical observations indicate that, in finite precision arithmetic, three-term vector recurrences are less robust than mathematically equivalent coupled two-term recurrences. Therefore, we recently proposed a new implementation of the QMR method based on a coupled two-term look-ahead Lanczos procedure. In this paper, we describe implementation details of this coupled QMR algorithm, and we present results of numerical experiments.

  4. Investigation of advanced counterrotation blade configuration concepts for high speed turboprop systems. Task 5: Unsteady counterrotation ducted propfan analysis

    NASA Technical Reports Server (NTRS)

    Hall, Edward J.; Delaney, Robert A.

    1993-01-01

    The primary objective of this study was the development of a time-marching three-dimensional Euler/Navier-Stokes aerodynamic analysis to predict steady and unsteady compressible transonic flows about ducted and unducted propfan propulsion systems employing multiple blade rows. The computer codes resulting from this study are referred to as ADPAC-AOAR\\CR (Advanced Ducted Propfan Analysis Codes-Angle of Attack Coupled Row). This document is the final report describing the theoretical basis and analytical results from the ADPAC-AOACR codes developed under task 5 of NASA Contract NAS3-25270, Unsteady Counterrotating Ducted Propfan Analysis. The ADPAC-AOACR Program is based on a flexible multiple blocked grid discretization scheme permitting coupled 2-D/3-D mesh block solutions with application to a wide variety of geometries. For convenience, several standard mesh block structures are described for turbomachinery applications. Aerodynamic calculations are based on a four-stage Runge-Kutta time-marching finite volume solution technique with added numerical dissipation. Steady flow predictions are accelerated by a multigrid procedure. Numerical calculations are compared with experimental data for several test cases to demonstrate the utility of this approach for predicting the aerodynamics of modern turbomachinery configurations employing multiple blade rows.

  5. Investigation of advanced counterrotation blade configuration concepts for high speed turboprop systems. Task 5: Unsteady counterrotation ducted propfan analysis. Computer program user's manual

    NASA Technical Reports Server (NTRS)

    Hall, Edward J.; Delaney, Robert A.; Adamczyk, John J.; Miller, Christopher J.; Arnone, Andrea; Swanson, Charles

    1993-01-01

    The primary objective of this study was the development of a time-marching three-dimensional Euler/Navier-Stokes aerodynamic analysis to predict steady and unsteady compressible transonic flows about ducted and unducted propfan propulsion systems employing multiple blade rows. The computer codes resulting from this study are referred to as ADPAC-AOACR (Advanced Ducted Propfan Analysis Codes-Angle of Attack Coupled Row). This report is intended to serve as a computer program user's manual for the ADPAC-AOACR codes developed under Task 5 of NASA Contract NAS3-25270, Unsteady Counterrotating Ducted Propfan Analysis. The ADPAC-AOACR program is based on a flexible multiple blocked grid discretization scheme permitting coupled 2-D/3-D mesh block solutions with application to a wide variety of geometries. For convenience, several standard mesh block structures are described for turbomachinery applications. Aerodynamic calculations are based on a four-stage Runge-Kutta time-marching finite volume solution technique with added numerical dissipation. Steady flow predictions are accelerated by a multigrid procedure. Numerical calculations are compared with experimental data for several test cases to demonstrate the utility of this approach for predicting the aerodynamics of modern turbomachinery configurations employing multiple blade rows.

  6. On the phantom barrier crossing and the bounds on the speed of sound in non-minimal derivative coupling theories

    NASA Astrophysics Data System (ADS)

    Quiros, Israel; Gonzalez, Tame; Nucamendi, Ulises; García-Salcedo, Ricardo; Horta-Rangel, Francisco Antonio; Saavedra, Joel

    2018-04-01

    In this paper we investigate the so-called ‘phantom barrier crossing’ issue in a cosmological model based on the scalar–tensor theory with non-minimal derivative coupling to the Einstein tensor. Special attention will be paid to the physical bounds on the squared sound speed. The numeric results are geometrically illustrated by means of a qualitative procedure of analysis that is based on the mapping of the orbits in the phase plane onto the surfaces that represent physical quantities in the extended phase space, that is: the phase plane complemented with an additional dimension relative to the given physical parameter. We find that the cosmological model based on the non-minimal derivative coupling theory—this includes both the quintessence and the pure derivative coupling cases—has serious causality problems related to superluminal propagation of the scalar and tensor perturbations. Even more disturbing is the finding that, despite the fact that the underlying theory is free of the Ostrogradsky instability, the corresponding cosmological model is plagued by the Laplacian (classical) instability related with negative squared sound speed. This instability leads to an uncontrollable growth of the energy density of the perturbations that is inversely proportional to their wavelength. We show that, independent of the self-interaction potential, for positive coupling the tensor perturbations propagate superluminally, while for negative coupling a Laplacian instability arises. This latter instability invalidates the possibility for the model to describe the primordial inflation.

  7. Technical note: Design flood under hydrological uncertainty

    NASA Astrophysics Data System (ADS)

    Botto, Anna; Ganora, Daniele; Claps, Pierluigi; Laio, Francesco

    2017-07-01

    Planning and verification of hydraulic infrastructures require a design estimate of hydrologic variables, usually provided by frequency analysis, and neglecting hydrologic uncertainty. However, when hydrologic uncertainty is accounted for, the design flood value for a specific return period is no longer a unique value, but is represented by a distribution of values. As a consequence, the design flood is no longer univocally defined, making the design process undetermined. The Uncertainty Compliant Design Flood Estimation (UNCODE) procedure is a novel approach that, starting from a range of possible design flood estimates obtained in uncertain conditions, converges to a single design value. This is obtained through a cost-benefit criterion with additional constraints that is numerically solved in a simulation framework. This paper contributes to promoting a practical use of the UNCODE procedure without resorting to numerical computation. A modified procedure is proposed by using a correction coefficient that modifies the standard (i.e., uncertainty-free) design value on the basis of sample length and return period only. The procedure is robust and parsimonious, as it does not require additional parameters with respect to the traditional uncertainty-free analysis. Simple equations to compute the correction term are provided for a number of probability distributions commonly used to represent the flood frequency curve. The UNCODE procedure, when coupled with this simple correction factor, provides a robust way to manage the hydrologic uncertainty and to go beyond the use of traditional safety factors. With all the other parameters being equal, an increase in the sample length reduces the correction factor, and thus the construction costs, while still keeping the same safety level.

  8. 49 CFR Appendix E to Part 240 - Recommended Procedures for Conducting Skill Performance Tests

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... tailor their testing procedures to the specific operational realities. This appendix contains FRA's..., headlight? —Couple to cars at a safe speed? —Properly control in train slack and buff forces? —Properly use...

  9. Synthesis of Dendronized Poly(l-Glutamate) via Azide-Alkyne Click Chemistry

    PubMed Central

    Perdih, Peter; Kržan, Andrej; Žagar, Ema

    2016-01-01

    Poly(l-glutamate) (PGlu) was modified with a second-generation dendron to obtain the dendronized polyglutamate, P(Glu-D). Synthesized P(Glu-D) exhibited a degree of polymerization (DPn) of 46 and a 43% degree of dendronization. Perfect agreement was found between the P(Glu-D) expected structure and the results of nuclear magnetic resonance spectroscopy (NMR) and size-exclusion chromatography coupled to a multi-angle light-scattering detector (SEC-MALS) analysis. The PGlu precursor was modified by coupling with a bifunctional building block (N3-Pr-NH2) in the presence of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride (DMTMM) coupling reagent. The second-generation polyamide dendron was prepared by a stepwise procedure involving the coupling of propargylamine to the l-lysine carboxyl group, followed by attaching the protected 2,2-bis(methylol)propionic acid (bis-MPA) building block to the l-lysine amino groups. The hydroxyl groups of the resulting second-generation dendron were quantitatively deprotected under mild acidic conditions. The deprotected dendron with an acetylene focal group was coupled to the pendant azide groups of the modified linear copolypeptide, P(Glu-N3), in a Cu(I) catalyzed azide-alkyne cycloaddition reaction to form a 1,4-disubstituted triazole. The dendronization reaction proceeded quantitatively in 48 hours in aqueous medium as confirmed by 1H NMR and Fourier transform infrared spectroscopy (FT-IR) spectroscopy. PMID:28773369

  10. Speciation of chromium using reversed phase-high performance liquid chromatography coupled to different spectrometric detection methods

    NASA Astrophysics Data System (ADS)

    Andrle, C. M.; Jakubowski, N.; Broekaert, J. A. C.

    1997-02-01

    Speciation of Cr(III) and Cr(VI) based on the formation of different complexes with ammonium-pyrrolidinedithioate (APDC) in a continuous flow technique and their preconcentration using solid phase extraction (SPE) have been elaborated and applied to the analysis of waste waters from the galvanic industry. The Cr complexes were separated and determined using reversed phase-high performance liquid chromatography (RP-HPLC) coupled to different detection methods, namely UV-detection, graphite furnace-atomic absorption spectrometry (GF-AAS) and inductively coupled plasma mass spectrometry with hydraulic high pressure nebulization (HHPN/ICP-MS). After optimization the detection limits for Cr(III) and Cr(VI) of all methods are at the μg 1 -1 level and the precision in terms of RSD is 5% ( cCr = 100 μg 1 -1, N = 10). The procedure was applied to the determination of Cr(III) and Cr(VI) at the μg 1 -1 level in galvanic waste waters, and its accuracy was approved by comparing the results with those of independent methods.

  11. Electrochemical sensing of total antioxidant capacity and polyphenol content in wine samples using amperometry online-coupled with microdialysis.

    PubMed

    Jakubec, Petr; Bancirova, Martina; Halouzka, Vladimir; Lojek, Antonin; Ciz, Milan; Denev, Petko; Cibicek, Norbert; Vacek, Jan; Vostalova, Jitka; Ulrichova, Jitka; Hrbac, Jan

    2012-08-15

    This work describes the method for total antioxidant capacity (TAC) and/or total content of phenolics (TCP) analysis in wines using microdialysis online-coupled with amperometric detection using a carbon microfiber working electrode. The system was tested on 10 selected wine samples, and the results were compared with total reactive antioxidant potential (TRAP), oxygen radical absorbance capacity (ORAC), and chemiluminescent determination of total antioxidant capacity (CL-TAC) methods using Trolox and catechin as standards. Microdialysis online-coupled with amperometric detection gives similar results to the widely used cyclic voltammetry methodology and closely correlates with ORAC and TRAP. The problem of electrode fouling is overcome by the introduction of an electrochemical cleaning step (1-2 min at the potential of 0 V vs Ag/AgCl). Such a procedure is sufficient to fully regenerate the electrode response for both red and white wine samples as well as catechin/Trolox standards. The appropriate size of microdialysis probes enables easy automation of the electrochemical TAC/TCP measurement using 96-well microtitration plates.

  12. Arsenic species determination in human scalp hair by pressurized hot water extraction and high performance liquid chromatography-inductively coupled plasma-mass spectrometry.

    PubMed

    Morado Piñeiro, Andrés; Moreda-Piñeiro, Jorge; Alonso-Rodríguez, Elia; López-Mahía, Purificación; Muniategui-Lorenzo, Soledad; Prada-Rodríguez, Darío

    2013-02-15

    Analytical methods for the determination of total arsenic and arsenic species (mainly As(III) and As(V)) in human scalp hair have been developed. Inductively coupled plasma-mass spectrometry (ICP-MS) and high performance liquid chromatography (HPLC) coupled to ICP-MS have been used for total arsenic and arsenic species determination, respectively. The proposed methods include a "green", fast, high efficient and automated species leaching procedure by pressurized hot water extraction (PHWE). The operating parameters for PHWE including modifier concentration, extraction temperature, static time, extraction steps, pressure, mean particle size, diatomaceous earth (DE) mass/sample mass ratio and flush volume were studied using design of experiments (Plackett-Burman design PBD). Optimum condition implies a modifier concentration (acetic acid) of 150 mM and powdered hair samples fully mixed with diatomaceous earth (DE) as a dispersing agent at a DE mass/sample mass ratio of 5. The extraction has been carried out at 100°C and at an extraction pressure of 1500 psi for 5 min in four extraction step. Under optimised conditions, limits of quantification of 7.0, 6.3 and 50.3 ng g(-1) for total As, As(III) and As(V), respectively were achieved. Repeatability of the overall procedure (4.4, 7.2 and 2.1% for total As, As(III) and As(V), respectively) was achieved. The analysis of GBW-07601 (human hair) certified reference material was used for validation. The optimised method has been finally applied to several human scalp hair samples. Copyright © 2012 Elsevier B.V. All rights reserved.

  13. Comparative SWOT analysis of strategic environmental assessment systems in the Middle East and North Africa region.

    PubMed

    Rachid, G; El Fadel, M

    2013-08-15

    This paper presents a SWOT analysis of SEA systems in the Middle East North Africa region through a comparative examination of the status, application and structure of existing systems based on country-specific legal, institutional and procedural frameworks. The analysis is coupled with the multi-attribute decision making method (MADM) within an analytical framework that involves both performance analysis based on predefined evaluation criteria and countries' self-assessment of their SEA system through open-ended surveys. The results show heterogenous status with a general delayed progress characterized by varied levels of weaknesses embedded in the legal and administrative frameworks and poor integration with the decision making process. Capitalizing on available opportunities, the paper highlights measures to enhance the development and enactment of SEA in the region. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Multispectral tissue characterization for intestinal anastomosis optimization.

    PubMed

    Cha, Jaepyeong; Shademan, Azad; Le, Hanh N D; Decker, Ryan; Kim, Peter C W; Kang, Jin U; Krieger, Axel

    2015-10-01

    Intestinal anastomosis is a surgical procedure that restores bowel continuity after surgical resection to treat intestinal malignancy, inflammation, or obstruction. Despite the routine nature of intestinal anastomosis procedures, the rate of complications is high. Standard visual inspection cannot distinguish the tissue subsurface and small changes in spectral characteristics of the tissue, so existing tissue anastomosis techniques that rely on human vision to guide suturing could lead to problems such as bleeding and leakage from suturing sites. We present a proof-of-concept study using a portable multispectral imaging (MSI) platform for tissue characterization and preoperative surgical planning in intestinal anastomosis. The platform is composed of a fiber ring light-guided MSI system coupled with polarizers and image analysis software. The system is tested on ex vivo porcine intestine tissue, and we demonstrate the feasibility of identifying optimal regions for suture placement.

  15. Multispectral tissue characterization for intestinal anastomosis optimization

    PubMed Central

    Cha, Jaepyeong; Shademan, Azad; Le, Hanh N. D.; Decker, Ryan; Kim, Peter C. W.; Kang, Jin U.; Krieger, Axel

    2015-01-01

    Abstract. Intestinal anastomosis is a surgical procedure that restores bowel continuity after surgical resection to treat intestinal malignancy, inflammation, or obstruction. Despite the routine nature of intestinal anastomosis procedures, the rate of complications is high. Standard visual inspection cannot distinguish the tissue subsurface and small changes in spectral characteristics of the tissue, so existing tissue anastomosis techniques that rely on human vision to guide suturing could lead to problems such as bleeding and leakage from suturing sites. We present a proof-of-concept study using a portable multispectral imaging (MSI) platform for tissue characterization and preoperative surgical planning in intestinal anastomosis. The platform is composed of a fiber ring light-guided MSI system coupled with polarizers and image analysis software. The system is tested on ex vivo porcine intestine tissue, and we demonstrate the feasibility of identifying optimal regions for suture placement. PMID:26440616

  16. Separation of Be and Al for AMS using single-step column chromatography

    NASA Astrophysics Data System (ADS)

    Binnie, Steven A.; Dunai, Tibor J.; Voronina, Elena; Goral, Tomasz; Heinze, Stefan; Dewald, Alfred

    2015-10-01

    With the aim of simplifying AMS target preparation procedures for TCN measurements we tested a new extraction chromatography approach which couples an anion exchange resin (WBEC) to a chelating resin (Beryllium resin) to separate Be and Al from dissolved quartz samples. Results show that WBEC-Beryllium resin stacks can be used to provide high purity Be and Al separations using a combination of hydrochloric/oxalic and nitric acid elutions. 10Be and 26Al concentrations from quartz samples prepared using more standard procedures are compared with results from replicate samples prepared using the coupled WBEC-Beryllium resin approach and show good agreement. The new column procedure is performed in a single step, reducing sample preparation times relative to more traditional methods of TCN target production.

  17. Determination of As, Hg and Pb in herbs using slurry sampling flow injection chemical vapor generation inductively coupled plasma mass spectrometry.

    PubMed

    Tai, Chia-Yi; Jiang, Shiuh-Jen; Sahayam, A C

    2016-02-01

    Analysis of herbs for As, Hg and Pb has been carried out using slurry sampling inductively coupled plasma mass spectrometry (ICP-MS) with flow injection vapor generation. Slurry containing 0.5% m/v herbal powder, 0.1% m/v citric acid and 2% v/v HCl was injected into the VG-ICP-MS system for the determination of As, Hg and Pb that obviate dissolution and mineralization. Standard addition and isotope dilution methods were used for quantifications in selected herbal powders. This method has been validated by the determination of As, Hg and Pb in NIST standard reference materials SRM 1547 Peach Leaves and SRM 1573a Tomato Leaves. The As, Hg and Pb analysis results of the reference materials agreed with the certified values. The precision obtained by the reported procedure was better than 7% for all determinations. The detection limit estimated from standard addition curve was 0.008, 0.003, and 0.007 ng mL(-1) for As, Hg and Pb, respectively. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Rapid analysis of ultraviolet filters using dispersive liquid-liquid microextraction coupled to headspace gas chromatography and mass spectrometry.

    PubMed

    Pierson, Stephen A; Trujillo-Rodríguez, María J; Anderson, Jared L

    2018-05-29

    An ionic-liquid-based in situ dispersive liquid-liquid microextraction method coupled to headspace gas chromatography and mass spectrometry was developed for the rapid analysis of ultraviolet filters. The chemical structures of five ionic liquids were specifically designed to incorporate various functional groups for the favorable extraction of the target analytes. Extraction parameters including ionic liquid mass, molar ratio of ionic liquid to metathesis reagent, vortex time, ionic strength, pH, and total sample volume were studied and optimized. The effect of the headspace temperature and volume during the headspace sampling step was also evaluated to increase the sensitivity of the method. The optimized procedure is fast as it only required ∼7-10 min per extraction and allowed for multiple extractions to be performed simultaneously. In addition, the method exhibited high precision, good linearity, and low limits of detection for six ultraviolet filters in aqueous samples. The developed method was applied to both pool and lake water samples attaining acceptable relative recovery values. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Design optimization of high frequency transformer with controlled leakage inductance for current fed dual active bridge converter

    NASA Astrophysics Data System (ADS)

    Jung, Tae-Uk; Kim, Myung-Hwan; Yoo, Jin-Hyung

    2018-05-01

    Current fed dual active bridge converters for photovoltaic generation may typically require a given leakage or extra inductance in order to provide proper control of the currents. Therefore, the many researches have been focused on the leakage inductance control of high frequency transformer to integrate an extra inductor. In this paper, an asymmetric winding arrangement to get the controlled leakage inductance for the high frequency transformer is proposed to improve the efficiency of the current fed dual active bridge converter. In order to accurate analysis, a coupled electromagnetic analysis model of transformer connected with high frequency switching circuit is used. A design optimization procedure for high efficiency is also presented using design analysis model, and it is verified by the experimental result.

  20. Vibroacoustic optimization using a statistical energy analysis model

    NASA Astrophysics Data System (ADS)

    Culla, Antonio; D`Ambrogio, Walter; Fregolent, Annalisa; Milana, Silvia

    2016-08-01

    In this paper, an optimization technique for medium-high frequency dynamic problems based on Statistical Energy Analysis (SEA) method is presented. Using a SEA model, the subsystem energies are controlled by internal loss factors (ILF) and coupling loss factors (CLF), which in turn depend on the physical parameters of the subsystems. A preliminary sensitivity analysis of subsystem energy to CLF's is performed to select CLF's that are most effective on subsystem energies. Since the injected power depends not only on the external loads but on the physical parameters of the subsystems as well, it must be taken into account under certain conditions. This is accomplished in the optimization procedure, where approximate relationships between CLF's, injected power and physical parameters are derived. The approach is applied on a typical aeronautical structure: the cabin of a helicopter.

  1. Modal Test/Analysis Correlation of Space Station Structures Using Nonlinear Sensitivity

    NASA Technical Reports Server (NTRS)

    Gupta, Viney K.; Newell, James F.; Berke, Laszlo; Armand, Sasan

    1992-01-01

    The modal correlation problem is formulated as a constrained optimization problem for validation of finite element models (FEM's). For large-scale structural applications, a pragmatic procedure for substructuring, model verification, and system integration is described to achieve effective modal correlation. The space station substructure FEM's are reduced using Lanczos vectors and integrated into a system FEM using Craig-Bampton component modal synthesis. The optimization code is interfaced with MSC/NASTRAN to solve the problem of modal test/analysis correlation; that is, the problem of validating FEM's for launch and on-orbit coupled loads analysis against experimentally observed frequencies and mode shapes. An iterative perturbation algorithm is derived and implemented to update nonlinear sensitivity (derivatives of eigenvalues and eigenvectors) during optimizer iterations, which reduced the number of finite element analyses.

  2. Modal test/analysis correlation of Space Station structures using nonlinear sensitivity

    NASA Technical Reports Server (NTRS)

    Gupta, Viney K.; Newell, James F.; Berke, Laszlo; Armand, Sasan

    1992-01-01

    The modal correlation problem is formulated as a constrained optimization problem for validation of finite element models (FEM's). For large-scale structural applications, a pragmatic procedure for substructuring, model verification, and system integration is described to achieve effective modal correlations. The space station substructure FEM's are reduced using Lanczos vectors and integrated into a system FEM using Craig-Bampton component modal synthesis. The optimization code is interfaced with MSC/NASTRAN to solve the problem of modal test/analysis correlation; that is, the problem of validating FEM's for launch and on-orbit coupled loads analysis against experimentally observed frequencies and mode shapes. An iterative perturbation algorithm is derived and implemented to update nonlinear sensitivity (derivatives of eigenvalues and eigenvectors) during optimizer iterations, which reduced the number of finite element analyses.

  3. Inductively coupled plasma optical emission spectrometry for trace multi-element determination in vegetable oils, margarine and butter after stabilization with propan-1-ol and water

    NASA Astrophysics Data System (ADS)

    de Souza, Roseli M.; Mathias, Bárbara M.; da Silveira, Carmem Lúcia P.; Aucélio, Ricardo Q.

    2005-06-01

    The quantitative evaluation of trace elements in foodstuffs is of considerable interest due to the potential toxicity of many elements, and because the presence of some metallic species might affect the overall quality (flavor and stability) of these products. In the present work, an inductively coupled plasma optical emission spectrometric method has been developed for the determination of six elements (Cd, Co, Cr, Cu, Ni and Mn) in olive oil, soy oil, margarine and butter. Organic samples (oils and fats) were stabilized using propan-1-ol and water, which enabled long-time sample dispersion in the solution. This simple sample preparation procedure, together with an efficient sample introduction strategy (using a Meinhard K3 nebulizer and a twister cyclonic spray chamber), facilitated the overall analytical procedure, allowing quantification using calibration curves prepared with inorganic standards. Internal standardization (Sc) was used for correction of matrix effects and signal fluctuations. Good sensitivities with limits of detection in the ng g -1 range were achieved for all six elements. These sensitivities were appropriate for the intended application. The method was tested through the analysis of laboratory-fortified samples with good recoveries (between 91.3% and 105.5%).

  4. Proteus two-dimensional Navier-Stokes computer code, version 2.0. Volume 1: Analysis description

    NASA Technical Reports Server (NTRS)

    Towne, Charles E.; Schwab, John R.; Bui, Trong T.

    1993-01-01

    A computer code called Proteus 2D was developed to solve the two-dimensional planar or axisymmetric, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body-fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. This is the Analysis Description, and presents the equations and solution procedure. The governing equations, the turbulence model, the linearization of the equations and boundary conditions, the time and space differencing formulas, the ADI solution procedure, and the artificial viscosity models are described in detail.

  5. Proteus three-dimensional Navier-Stokes computer code, version 1.0. Volume 1: Analysis description

    NASA Technical Reports Server (NTRS)

    Towne, Charles E.; Schwab, John R.; Bui, Trong T.

    1993-01-01

    A computer code called Proteus 3D has been developed to solve the three dimensional, Reynolds averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort has been to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation have been emphasized. The governing equations are solved in generalized non-orthogonal body-fitted coordinates by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. This is the Analysis Description, and presents the equations and solution procedure. It describes in detail the governing equations, the turbulence model, the linearization of the equations and boundary conditions, the time and space differencing formulas, the ADI solution procedure, and the artificial viscosity models.

  6. Elemental Impurities in Pharmaceutical Excipients.

    PubMed

    Li, Gang; Schoneker, Dave; Ulman, Katherine L; Sturm, Jason J; Thackery, Lisa M; Kauffman, John F

    2015-12-01

    Control of elemental impurities in pharmaceutical materials is currently undergoing a transition from control based on concentrations in components of drug products to control based on permitted daily exposures in drug products. Within the pharmaceutical community, there is uncertainty regarding the impact of these changes on manufactures of drug products. This uncertainty is fueled in part by a lack of publically available information on elemental impurity levels in common pharmaceutical excipients. This paper summarizes a recent survey of elemental impurity levels in common pharmaceutical excipients as well as some drug substances. A widely applicable analytical procedure was developed and was shown to be suitable for analysis of elements that are subject to United States Pharmacopoeia Chapter <232> and International Conference on Harmonization's Q3D Guideline on Elemental Impurities. The procedure utilizes microwave-assisted digestion of pharmaceutical materials and inductively coupled plasma mass spectrometry for quantitative analysis of these elements. The procedure was applied to 190 samples from 31 different excipients and 15 samples from eight drug substances provided through the International Pharmaceutical Excipient Council of the Americas. The results of the survey indicate that, for the materials included in the study, relatively low levels of elemental impurities are present. © 2015 The Authors. Journal of Pharmaceutical Sciences published by Wiley Periodicals, Inc. and the American Pharmacists Association.

  7. General unknown screening procedure for the characterization of human drug metabolites in forensic toxicology: applications and constraints.

    PubMed

    Sauvage, François-Ludovic; Picard, Nicolas; Saint-Marcoux, Franck; Gaulier, Jean-Michel; Lachâtre, Gérard; Marquet, Pierre

    2009-09-01

    LC coupled to single (LC-MS) and tandem (LC-MS/MS) mass spectrometry is recognized as the most powerful analytical tools for metabolic studies in drug discovery. In this article, we describe five cases illustrating the utility of screening xenobiotic metabolites in routine analysis of forensic samples using LC-MS/MS. Analyses were performed using a previously published LC-MS/MS general unknown screening (GUS) procedure developed using a hybrid linear IT-tandem mass spectrometer. In each of the cases presented, the presence of metabolites of xenobiotics was suspected after analyzing urine samples. In two cases, the parent drug was also detected and the metabolites were merely useful to confirm drug intake, but in three other cases, metabolite detection was of actual forensic interest. The presented results indicate that: (i) the GUS procedure developed is useful to detect a large variety of drug metabolites, which would have been hardly detected using targeted methods in the context of clinical or forensic toxicology; (ii) metabolite structure can generally be inferred from their "enhanced" product ion scan spectra; and (iii) structure confirmation can be achieved through in vitro metabolic experiments or through the analysis of urine samples from individuals taking the parent drug.

  8. Advanced development of atmospheric models. [SEASAT Program support

    NASA Technical Reports Server (NTRS)

    Kesel, P. G.; Langland, R. A.; Stephens, P. L.; Welleck, R. E.; Wolff, P. M.

    1979-01-01

    A set of atmospheric analysis and prediction models was developed in support of the SEASAT Program existing objective analysis models which utilize a 125x125 polar stereographic grid of the Northern Hemisphere, which were modified in order to incorporate and assess the impact of (real or simulated) satellite data in the analysis of a two-day meteorological scenario in January 1979. Program/procedural changes included: (1) a provision to utilize winds in the sea level pressure and multi-level height analyses (1000-100 MBS); (2) The capability to perform a pre-analysis at two control levels (1000 MBS and 250 MBS); (3) a greater degree of wind- and mass-field coupling, especially at these controls levels; (4) an improved facility to bogus the analyses based on results of the preanalysis; and (5) a provision to utilize (SIRS) satellite thickness values and cloud motion vectors in the multi-level height analysis.

  9. Meshfree truncated hierarchical refinement for isogeometric analysis

    NASA Astrophysics Data System (ADS)

    Atri, H. R.; Shojaee, S.

    2018-05-01

    In this paper truncated hierarchical B-spline (THB-spline) is coupled with reproducing kernel particle method (RKPM) to blend advantages of the isogeometric analysis and meshfree methods. Since under certain conditions, the isogeometric B-spline and NURBS basis functions are exactly represented by reproducing kernel meshfree shape functions, recursive process of producing isogeometric bases can be omitted. More importantly, a seamless link between meshfree methods and isogeometric analysis can be easily defined which provide an authentic meshfree approach to refine the model locally in isogeometric analysis. This procedure can be accomplished using truncated hierarchical B-splines to construct new bases and adaptively refine them. It is also shown that the THB-RKPM method can provide efficient approximation schemes for numerical simulations and represent a promising performance in adaptive refinement of partial differential equations via isogeometric analysis. The proposed approach for adaptive locally refinement is presented in detail and its effectiveness is investigated through well-known benchmark examples.

  10. State feedback controller design for the synchronization of Boolean networks with time delays

    NASA Astrophysics Data System (ADS)

    Li, Fangfei; Li, Jianning; Shen, Lijuan

    2018-01-01

    State feedback control design to make the response Boolean network synchronize with the drive Boolean network is far from being solved in the literature. Motivated by this, this paper studies the feedback control design for the complete synchronization of two coupled Boolean networks with time delays. A necessary condition for the existence of a state feedback controller is derived first. Then the feedback control design procedure for the complete synchronization of two coupled Boolean networks is provided based on the necessary condition. Finally, an example is given to illustrate the proposed design procedure.

  11. Palladium-Catalyzed Dehydrogenative Coupling: An Efficient Synthetic Strategy for the Construction of the Quinoline Core

    PubMed Central

    Carral-Menoyo, Asier; Ortiz-de-Elguea, Verónica; Martinez-Nunes, Mikel; Sotomayor, Nuria; Lete, Esther

    2017-01-01

    Palladium-catalyzed dehydrogenative coupling is an efficient synthetic strategy for the construction of quinoline scaffolds, a privileged structure and prevalent motif in many natural and biologically active products, in particular in marine alkaloids. Thus, quinolines and 1,2-dihydroquinolines can be selectively obtained in moderate-to-good yields via intramolecular C–H alkenylation reactions, by choosing the reaction conditions. This methodology provides a direct method for the construction of this type of quinoline through an efficient and atom economical procedure, and constitutes significant advance over the existing procedures that require preactivated reaction partners. PMID:28867803

  12. Estimating procedure for major highway construction bid item cost : final report.

    DOT National Transportation Integrated Search

    1978-06-01

    The present procedure for estimating construction bid item cost makes use of the quarterly weighted average unit price report coupled with engineering judgement. The limitation to this method is that this report format provides only the lowest bid da...

  13. High Pulse Energy Flashlamp Pumpable Laser Dyes

    DTIC Science & Technology

    1990-04-09

    on a large scale, and the difficult alkylation to 35 accomplished with 1-iodopropane with sodium hydroxide in acetone. Coupling the Grignard reagent ...dialkylated with 4-(chloromethyl)stilbene (47), which recently became available from Aldrich, to give 48b. The attempt to couple the Grignard reagent from 4...search turned up a useful procedure for coupling aryl Grignard reagents with benzyl halides, the process in Scheme E was largely completed. The Grignard

  14. Improvement of a sample preparation procedure for multi-elemental determination in Brazil nuts by ICP-OES.

    PubMed

    Welna, Maja; Szymczycha-Madeja, Anna

    2014-04-01

    Various sample preparation procedures, such as common wet digestions and alternatives based on solubilisation in aqua regia or tetramethyl ammonium hydroxide, were compared for the determination of the total Ba, Ca, Cr, Cd, Cu, Fe, Mg, Mn, Ni, P, Pb, Se, Sr and Zn contents in Brazil nuts using inductively coupled plasma optical emission spectrometry (ICP-OES). For measurement of Se, a hydride generation technique was used. The performance of these procedures was measured in terms of precision, accuracy and limits of detection of the elements. It was found that solubilisation in aqua regia gave the best results, i.e. limits of detection from 0.60 to 41.9 ng ml(-1), precision of 1.0-3.9% and accuracy better than 5%. External calibration with simple standard solutions could be applied for the analysis. The proposed procedure is simple, reduces sample handling, and minimises the time and reagent consumption. Thus, this can be a vital alternative to traditional sample treatment approaches based on the total digestion with concentrated reagents. A phenomenon resulting from levels of Ba, Se and Sr in Brazil nuts was also discussed.

  15. A full potential flow analysis with realistic wake influence for helicopter rotor airload prediction

    NASA Technical Reports Server (NTRS)

    Egolf, T. Alan; Sparks, S. Patrick

    1987-01-01

    A 3-D, quasi-steady, full potential flow solver was adapted to include realistic wake influence for the aerodynamic analysis of helicopter rotors. The method is based on a finite difference solution of the full potential equation, using an inner and outer domain procedure for the blade flowfield to accommodate wake effects. The nonlinear flow is computed in the inner domain region using a finite difference solution method. The wake is modeled by a vortex lattice using prescribed geometry techniques to allow for the inclusion of realistic rotor wakes. The key feature of the analysis is that vortices contained within the finite difference mesh (inner domain) were treated with a vortex embedding technique while the influence of the remaining portion of the wake (in the outer domain) is impressed as a boundary condition on the outer surface of the finite difference mesh. The solution procedure couples the wake influence with the inner domain solution in a consistent and efficient solution process. The method has been applied to both hover and forward flight conditions. Correlation with subsonic and transonic hover airload data is shown which demonstrates the merits of the approach.

  16. Identifying protein domains by global analysis of soluble fragment data.

    PubMed

    Bulloch, Esther M M; Kingston, Richard L

    2014-11-15

    The production and analysis of individual structural domains is a common strategy for studying large or complex proteins, which may be experimentally intractable in their full-length form. However, identifying domain boundaries is challenging if there is little structural information concerning the protein target. One experimental procedure for mapping domains is to screen a library of random protein fragments for solubility, since truncation of a domain will typically expose hydrophobic groups, leading to poor fragment solubility. We have coupled fragment solubility screening with global data analysis to develop an effective method for identifying structural domains within a protein. A gene fragment library is generated using mechanical shearing, or by uracil doping of the gene and a uracil-specific enzymatic digest. A split green fluorescent protein (GFP) assay is used to screen the corresponding protein fragments for solubility when expressed in Escherichia coli. The soluble fragment data are then analyzed using two complementary approaches. Fragmentation "hotspots" indicate possible interdomain regions. Clustering algorithms are used to group related fragments, and concomitantly predict domain location. The effectiveness of this Domain Seeking procedure is demonstrated by application to the well-characterized human protein p85α. Copyright © 2014 Elsevier Inc. All rights reserved.

  17. Simultaneous determination of quinolones in fish by liquid chromatography coupled with fluorescence detection: comparison of sub-2 microm particles and conventional C18 columns.

    PubMed

    Zhang, Hong; Chen, Si; Lu, Yanbin; Dai, Zhiyuan

    2010-07-01

    A simple and effective multi-residue analysis method is presented for the extraction and determination of eleven quinolones (pipemidic acid, enoxacin, norfloxacin, ciprofloxacin, lomefloxacin, enrofloxacin, gatifloxacin, difloxacin, oxolinic acid, nalidixic acid and flumequine) in fish tissues. In this study, multi-residue separations on four columns packed with 5 microm or sub-2 microm particles were simultaneously developed for the purpose of comparison. Various gradients were optimized and best resolutions were achieved on each column. A short and sub-2 microm particle-sized HPLC column was chosen for its advantages in analysis time and column performance. Additionally, considering the matrix effect of the complex crude fish tissue, an effective extraction protocol was also established for sample pre-treatment procedure. Good recoveries (71-98%) were obtained from samples fortified with a mix of eleven quinolones at three levels, with satisfactory relative standard deviations and limits of detection. As a result, the sub-2 microm HPLC column and proposed analytical procedures have been evaluated and applied to the analysis of different fish tissues. Detectable residues were observed in 8 of 30 samples, at concentrations ranging from 4.74 to 23.27 microg/kg.

  18. Coupling solid-phase microextraction and high-performance liquid chromatography for direct and sensitive determination of halogenated fungicides in wine.

    PubMed

    Millán, S; Sampedro, M C; Unceta, N; Goicolea, M A; Rodríguez, E; Barrio, R J

    2003-05-02

    A solid-phase microextraction (SPME) method coupled to high-performance liquid chromatography with diode array detection (HPLC-DAD) for the analysis of six organochlorine fungicides (nuarimol, triadimenol, triadimefon, folpet, vinclozolin and penconazole) in wine was developed. For this purpose, polydimethylsiloxane-divinylbenzene-coated fibers were utilized and all factors affecting throughput, precision, and accuracy of the SPME method were investigated and optimized. These factors include: matrix influence, extraction and desorption time, percentage of ethanol, pH, salt effect and desorption mode. The performed analytical procedure showed detectability ranging from 4 to 27 microg l(-1) and precision from 2.4 to 14.2% (as intra-day relative standard deviation, RSD) and 4.7-25.7% (as inter-day RSD) depending on the fungicide. The results demonstrate the suitability of the SPME-HPLC-DAD method to analyze these organochlorine fungicides in red wine.

  19. Efficient parallel architecture for highly coupled real-time linear system applications

    NASA Technical Reports Server (NTRS)

    Carroll, Chester C.; Homaifar, Abdollah; Barua, Soumavo

    1988-01-01

    A systematic procedure is developed for exploiting the parallel constructs of computation in a highly coupled, linear system application. An overall top-down design approach is adopted. Differential equations governing the application under consideration are partitioned into subtasks on the basis of a data flow analysis. The interconnected task units constitute a task graph which has to be computed in every update interval. Multiprocessing concepts utilizing parallel integration algorithms are then applied for efficient task graph execution. A simple scheduling routine is developed to handle task allocation while in the multiprocessor mode. Results of simulation and scheduling are compared on the basis of standard performance indices. Processor timing diagrams are developed on the basis of program output accruing to an optimal set of processors. Basic architectural attributes for implementing the system are discussed together with suggestions for processing element design. Emphasis is placed on flexible architectures capable of accommodating widely varying application specifics.

  20. Modified chloride diffusion model for concrete under the coupling effect of mechanical load and chloride salt environment

    NASA Astrophysics Data System (ADS)

    Lei, Mingfeng; Lin, Dayong; Liu, Jianwen; Shi, Chenghua; Ma, Jianjun; Yang, Weichao; Yu, Xiaoniu

    2018-03-01

    For the purpose of investigating lining concrete durability, this study derives a modified chloride diffusion model for concrete based on the odd continuation of boundary conditions and Fourier transform. In order to achieve this, the linear stress distribution on a sectional structure is considered, detailed procedures and methods are presented for model verification and parametric analysis. Simulation results show that the chloride diffusion model can reflect the effects of linear stress distribution of the sectional structure on the chloride diffusivity with reliable accuracy. Along with the natural environmental characteristics of practical engineering structures, reference value ranges of model parameters are provided. Furthermore, a chloride diffusion model is extended for the consideration of multi-factor coupling of linear stress distribution, chloride concentration and diffusion time. Comparison between model simulation and typical current research results shows that the presented model can produce better considerations with a greater universality.

  1. Consanguineous marriage and reproduction in Beirut, Lebanon.

    PubMed

    Khlat, M

    1988-08-01

    Effects of consanguineous marriages on couples' fertility and on offspring mortality were investigated in Beirut through a population-based health survey of 2,752 households. A multistage random sampling procedure was used, and information was obtained from all ever-married women in the household about their reproductive performance and genealogical relationship with spouse; demographic and socioeconomic information was also recorded. Twenty-five percent of all marriages were between relatives, and the spouses were first cousins in approximately 57% of all consanguineous marriages. Total pregnancies, live births, and living children were significantly higher among consanguineous couples than among nonconsanguineous ones, as was the proportion dead among children ever born. However, no difference remained in either fertility or mortality, when allowance was made for socioeconomic status, religious affiliation, and marriage duration. The issue of confounding is discussed, and the lack of significant pattern in the final analysis is interpreted as resulting from a long-term practice of consanguineous marriages.

  2. Palladium coupling catalysts for pharmaceutical applications.

    PubMed

    Doucet, Henri; Hierso, Jean-Cyrille

    2007-11-01

    This review discusses recent advances made in the area of palladium-catalyzed coupling reactions and describes a selection of the catalytic systems that are useful in the preparation of valuable compounds for the pharmaceutical industry. Most of these types of syntheses have used either simple palladium salts or palladium precursors associated with electron-rich mono- or bidentate phosphine ligands as catalysts. For some reactions, ligands such as triphenyl phosphine, 1,1'-bis(diphenylphosphino)ferrocene, a carbene or a bipyridine have also been employed. Several new procedures for the Suzuki cross-coupling reaction, the activation of aryl chlorides, the functionalization of aromatics and the synthesis of heteroaromatics are discussed. The C-H activation/ functionalization reactions of aryl and heteroaryl derivatives have emerged as powerful tools for the preparation of biaryl compounds, and the recent procedures and catalysts employed in this promising field are also highlighted herein.

  3. Quasi-2D Unsteady Flow Solver Module for Rocket Engine and Propulsion System Simulations

    DTIC Science & Technology

    2006-06-14

    Conference, Sacramento, CA, 9-12 July 2006. 14. ABSTRACT A new quasi-two-dimensional procedure is presented for the transient solution of real-fluid flows...solution procedures is being developed in parallel to provide verification test cases. The solution procedure for both codes is coupled with a state-of...Davis, Davis, CA, 95616 A new quasi-two-dimensional procedure is presented for the transient solution of real- fluid flows in lines and volumes

  4. Efficient Site-Specific Labeling of Proteins via Cysteines

    PubMed Central

    Kim, Younggyu; Ho, Sam O.; Gassman, Natalie R.; Korlann, You; Landorf, Elizabeth V.; Collart, Frank R.; Weiss, Shimon

    2011-01-01

    Methods for chemical modifications of proteins have been crucial for the advancement of proteomics. In particular, site-specific covalent labeling of proteins with fluorophores and other moieties has permitted the development of a multitude of assays for proteome analysis. A common approach for such a modification is solvent-accessible cysteine labeling using thiol-reactive dyes. Cysteine is very attractive for site-specific conjugation due to its relative rarity throughout the proteome and the ease of its introduction into a specific site along the protein's amino acid chain. This is achieved by site-directed mutagenesis, most often without perturbing the protein's function. Bottlenecks in this reaction, however, include the maintenance of reactive thiol groups without oxidation before the reaction, and the effective removal of unreacted molecules prior to fluorescence studies. Here, we describe an efficient, specific, and rapid procedure for cysteine labeling starting from well-reduced proteins in the solid state. The efficacy and specificity of the improved procedure are estimated using a variety of single-cysteine proteins and thiol-reactive dyes. Based on UV/vis absorbance spectra, coupling efficiencies are typically in the range 70–90%, and specificities are better than ~95%. The labeled proteins are evaluated using fluorescence assays, proving that the covalent modification does not alter their function. In addition to maleimide-based conjugation, this improved procedure may be used for other thiol-reactive conjugations such as haloacetyl, alkyl halide, and disulfide interchange derivatives. This facile and rapid procedure is well suited for high throughput proteome analysis. PMID:18275130

  5. Efficient site-specific labeling of proteins via cysteines.

    PubMed

    Kim, Younggyu; Ho, Sam O; Gassman, Natalie R; Korlann, You; Landorf, Elizabeth V; Collart, Frank R; Weiss, Shimon

    2008-03-01

    Methods for chemical modifications of proteins have been crucial for the advancement of proteomics. In particular, site-specific covalent labeling of proteins with fluorophores and other moieties has permitted the development of a multitude of assays for proteome analysis. A common approach for such a modification is solvent-accessible cysteine labeling using thiol-reactive dyes. Cysteine is very attractive for site-specific conjugation due to its relative rarity throughout the proteome and the ease of its introduction into a specific site along the protein's amino acid chain. This is achieved by site-directed mutagenesis, most often without perturbing the protein's function. Bottlenecks in this reaction, however, include the maintenance of reactive thiol groups without oxidation before the reaction, and the effective removal of unreacted molecules prior to fluorescence studies. Here, we describe an efficient, specific, and rapid procedure for cysteine labeling starting from well-reduced proteins in the solid state. The efficacy and specificity of the improved procedure are estimated using a variety of single-cysteine proteins and thiol-reactive dyes. Based on UV/vis absorbance spectra, coupling efficiencies are typically in the range 70-90%, and specificities are better than approximately 95%. The labeled proteins are evaluated using fluorescence assays, proving that the covalent modification does not alter their function. In addition to maleimide-based conjugation, this improved procedure may be used for other thiol-reactive conjugations such as haloacetyl, alkyl halide, and disulfide interchange derivatives. This facile and rapid procedure is well suited for high throughput proteome analysis.

  6. Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization-high-resolution mass spectrometry.

    PubMed

    Danhelova, Hana; Hradecky, Jaromir; Prinosilova, Sarka; Cajka, Tomas; Riddellova, Katerina; Vaclavik, Lukas; Hajslova, Jana

    2012-07-01

    The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (<1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106% and 107% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, %) was <5% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.

  7. Sociodemographic and Marital Heterogamy Influences on the Decision for Voluntary Sterilization.

    ERIC Educational Resources Information Center

    Bean, Frank D.; And Others

    1987-01-01

    Examined relationships between religious and age heterogamy and choice of voluntary contraceptive sterilization and decision for male or female procedure. Found that couples of disparate ages and mixed-faith marriages exhibited greater tendency to elect sterilization than did other couples. No relationship emerged between measures of heterogamy…

  8. Procedural Concerns in Couple Counseling.

    ERIC Educational Resources Information Center

    Atwood, Joan D.; Meyer, George

    This document presents a theoretical approach to couple counseling, a systemic approach which views each spouse as having a personal and relationship history that transcends the present marital one. It notes that this approach views a person's life style along two dimensions: the first dimension examines the person's relational experiences at the…

  9. Job-Sharing Couples in Academia: Administrative Policies and Practices.

    ERIC Educational Resources Information Center

    Mikitka, Kathleen Faith

    1984-01-01

    Examined existing administrative policies and procedures for academic job sharing for married couples in a survey of 12 institutions and 16 administrators. Results suggested growing consideration of job sharing by academic employers and pointed out advantages such as attracting high-quality faculty and extending faculty resources. (JAC)

  10. Clinical Use of the Marital Satisfaction Inventory: Two Case Studies.

    ERIC Educational Resources Information Center

    Wills, Robert M.; Snyder, Douglas K.

    1982-01-01

    Describes the clinical use of the Marital Satisfaction Inventory (MSI), a multidimensional self-report measure of marital interaction. Two case studies of couples in marital therapy are presented. The MSI is presented as a cost-efficient procedure, permitting objective assessment across multiple areas of a couple's relationship. (Author/JAC)

  11. A new double coupling system: synthesis of citronellyl acetate via transacetylation to citronellol from acetyl coenzyme A produced from glucose and free fatty acids.

    PubMed

    Oda, S; Ohta, H

    2001-08-01

    A double coupling system, which couples metabolism of glucose and transacetylation, is a unique procedure for the production of acetic esters. In the novel coupling system described in this article, acetyl coenzyme A (acetyl-CoA) was supplied via metabolism of both glucose and exogenous saturated fatty acids. While short and middle chain fatty acids having C4-8 were very biotoxic, myristic acid (C14) was effectively used as a source of acetyl-CoA.

  12. In tube-solid phase microextraction-nano liquid chromatography: Application to the determination of intact and degraded polar triazines in waters and recovered struvite.

    PubMed

    Serra-Mora, P; Jornet-Martinez, N; Moliner-Martinez, Y; Campíns-Falcó, P

    2017-09-01

    In-tube solid-phase microextraction (IT-SPME) coupled to miniaturized liquid chromatography (LC) techniques are attractive mainly due to the column efficiency improvement, sensitivity enhancement and reduction of solvent consumption. In addition, the nanomaterials based sorbents can play a key role in the improvement of the extraction efficiency taking into account their interesting physical and chemical properties. Thus, in this work the performance of IT-SPME coupled to nano LC (NanoLC) has been compared with the performance of IT-SPME coupled to capillary LC (CapLC) with similar configurations for the determination of polar triazines including their degradation products. In both cases, a DAD detector was used. Different extractive phases such as TRB-5, TRB-5/c-SWNTs, TRB-5/c-MWNTs capillary columns have been tested. The dimensions of the capillary columns were 0.32mm id×40cm length and 0.1 or 0.075mm i.d.×15cm length for the couplings with CapLC and NanoLC, respectively. The processed volume was 4mL for CapLC and 0.5mL for NanoLC. The elution was carried out with ACN:H 2 O (30:70, v/v). IT-SPME-NanoLC has shown a higher performance than IT-SPME-CapLC for the target analytes demonstrating the enhancement of the extraction efficiency with the former configuration. A new phase TEOS-MTEOS-SiO 2 NPs has been also proposed for IT-SPME-NanoLC, which improves the retention of polar compounds. Compared with previously published works, improved LODs were achieved (0.025-0.5μgL -1 ). The practical application of the proposed procedure has been demonstrated for the analysis of water samples and recovered struvite samples from wastewater treatment plants. Therefore, the proposed procedure can be an alternative method for regulatory purposes. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Diagnostics in assisted human reproduction.

    PubMed

    Montoya, Juan Manuel; Bernal, Alejandra; Borrero, Claudia

    2002-01-01

    The World Health Organization (WHO) estimates that 50-80 x 10(6) couples in the world are infertile, i.e. 7-15% of all couples of reproductive age (15-45 years old). The term infertility refers to couples who have been unable to conceive children for at least 1 year of regular unprotected intercourse. Although the frequency and origin of infertility varies, approximately 40-60% of the aetiology of infertility in the population studied is due to female causes. The introduction of assisted reproduction techniques, which offer couples the best opportunities for pregnancy, has opened a vast field of knowledge in reproductive biology. The medical history must be taken meticulously, with enough time to obtain the largest possible amount of relevant information. It is recommended that both partners be included in the initial work-up. In recent decades, technological progress has been favoured with the development of a great variety of diagnostic tests. Moreover, a very valuable tool helping to solve this problem has gained strength and is available to everybody - so-called 'evidence-based medicine'. There are three categories in infertility diagnostic tests. The first category includes tests showing a well-established correlation with pregnancy, e.g. semen analysis, tubal patency with hysterosalpingography or laparoscopy, and ovulation detection. The second category includes patients whose results are not consistently related to pregnancy. Here, these tests include sperm penetration assay in the zona-free hamster oocyte, post-coital tests, sperm penetration into cervical mucus, and tests to detect anti-sperm antibodies. The third group includes patients whose tests are not correlated with pregnancy. The relevant tests include endometrial biopsy, the presence of varicocele, and Chlamydia detection tests. Tests for infertility are often expensive. Since these patients are usually anxious and eager and will do almost anything to have a child, care must be taken to avoid exploitation of their hopes with unnecessary procedures. This text now reviews and updates the procedures used to investigate infertility.

  14. Initial Assessment of a Variable-Camber Continuous Trailing-Edge Flap System on a Rigid Wing for Drag Reduction in Subsonic Cruise

    NASA Technical Reports Server (NTRS)

    Ippolito, Corey; Nguyen, Nhan; Totah, Joe; Trinh, Khanh; Ting, Eric

    2013-01-01

    In this paper, we describe an initial optimization study of a Variable-Camber Continuous Trailing-Edge Flap (VCCTEF) system. The VCCTEF provides a light-weight control system for aircraft with long flexible wings, providing efficient high-lift capability for takeoff and landing, and greater efficiency with reduced drag at cruising flight by considering the effects of aeroelastic wing deformations in the control law. The VCCTEF system is comprised of a large number of distributed and individually-actuatable control surfaces that are constrained in movement relative to neighboring surfaces, and are non-trivially coupled through structural aeroelastic dynamics. Minimzation of drag results in a constrained, coupled, non-linear optimization over a high-dimension search space. In this paper, we describe the modeling, analysis, and optimization of the VCCTEF system control inputs for minimum drag in cruise. The purpose of this initial study is to quantify the expected benefits of the system concept. The scope of this analysis is limited to consideration of a rigid wing without structural flexibility in a steady-state cruise condition at various fuel weights. For analysis, we developed an optimization engine that couples geometric synthesis with vortex-lattice analysis to automate the optimization procedure. In this paper, we present and describe the VCCTEF system concept, optimization approach and tools, run-time performance, and results of the optimization at 20%, 50%, and 80% fuel load. This initial limited-scope study finds the VCCTEF system can potentially gain nearly 10% reduction in cruise drag, provides greater drag savings at lower operating weight, and efficiency is negatively impacted by the severity of relative constraints between control surfaces.

  15. Analysis of the effect of mobile phone base station antenna loading on localized SAR and its consequences for measurements.

    PubMed

    Hansson, Björn; Thors, Björn; Törnevik, Christer

    2011-12-01

    In this work, the effect of antenna element loading on the localized specific absorption rate (SAR) has been analyzed for base station antennas. The analysis was conducted in order to determine whether localized SAR measurements of large multi-element base station antennas can be conducted using standardized procedures and commercially available equipment. More specifically, it was investigated if the antenna shifting measurement procedure, specified in the European base station exposure assessment standard EN 50383, will produce accurate localized SAR results for base station antennas larger than the specified measurement phantom. The obtained results show that SAR accuracy is affected by the presence of lossy material within distances of one wavelength from the tested antennas as a consequence of coupling and redistribution of transmitted power among the antenna elements. It was also found that the existing standardized phantom is not optimal for SAR measurements of large base station antennas. A new methodology is instead proposed based on a larger, box-shaped, whole-body phantom. Copyright © 2011 Wiley Periodicals, Inc.

  16. Nontarget analysis of polar contaminants in freshwater sediments influenced by pharmaceutical industry using ultra-high-pressure liquid chromatography-quadrupole time-of-flight mass spectrometry.

    PubMed

    Terzic, Senka; Ahel, Marijan

    2011-02-01

    A comprehensive analytical procedure for a reliable identification of nontarget polar contaminants in aquatic sediments was developed, based on the application of ultra-high-pressure liquid chromatography (UHPLC) coupled to hybrid quadrupole time-of-flight mass spectrometry (QTOFMS). The procedure was applied for the analysis of freshwater sediment that was highly impacted by wastewater discharges from the pharmaceutical industry. A number of different contaminants were successfully identified owing to the high mass accuracy of the QTOFMS system, used in combination with high chromatographic resolution of UHPLC. The major compounds, identified in investigated sediment, included a series of polypropylene glycols (n=3-16), alkylbenzene sulfonate and benzalkonium surfactants as well as a number of various pharmaceuticals (chlorthalidone, warfarin, terbinafine, torsemide, zolpidem and macrolide antibiotics). The particular advantage of the applied technique is its capability to detect less known pharmaceutical intermediates and/or transformation products, which have not been previously reported in freshwater sediments. Copyright © 2010 Elsevier Ltd. All rights reserved.

  17. Combination of COFRADIC and high temperature-extended column length conventional liquid chromatography: a very efficient way to tackle complex protein samples, such as serum.

    PubMed

    Sandra, Koen; Verleysen, Katleen; Labeur, Christine; Vanneste, Lies; D'Hondt, Filip; Thomas, Grégoire; Kas, Koen; Gevaert, Kris; Vandekerckhove, Joël; Sandra, Pat

    2007-03-01

    The previously reported COmbined FRActional DIagonal Chromatography (COFRA-DIC) methodology, in which a subset of peptides representative for their parent proteins are sorted, is particularly powerful for whole proteome analysis. This peptide-centric technology is built around diagonal chromatography, where peptide separations are crucial. This paper presents high efficiency peptide separations, in which four 250 x 2.1 mm, 5 microm Zorbax 300SB-C18 columns (total length 1 m) were coupled at operating temperatures of 60'C using a dedicated LC oven and conventional LC equipment. The high efficiency separations were combined with the COFRADIC procedure. This extremely powerful combination resulted, for the analysis of serum, in an increase in the uniquely identified peptide sequences by a factor of 2.6, compared to the COFRADIC procedure on a 25 cm column. This is a reflection of the increased peak capacity obtained on the 1 m column, which was calculated to be a factor 2.7 higher than on the 25 cm column. Besides more efficient sorting, less ion suppression was noticed.

  18. QuEChERS-based extraction procedure for multifamily analysis of phytohormones in vegetables by UHPLC-MS/MS.

    PubMed

    Flores, María Isabel Alarcón; Romero-González, Roberto; Frenich, Antonia Garrido; Vidal, José Luis Martínez

    2011-07-01

    A new method has been developed and validated for the simultaneous analysis of different phytohormones (auxins, cytokinins and gibberellins) in vegetables. The compounds were extracted using a QuEChERS-based method (acronym of quick, easy, cheap, effective, rugged and safe). The separation and determination of the selected phytohormones were carried out by ultra high-performance liquid chromatography coupled to tandem mass spectrometry (UHPLC-MS/MS), using electrospray ionization source (ESI) in positive and negative ion modes. The method was validated and mean recoveries were evaluated at three concentration levels (50, 100 and 250 μg/kg), ranging from 75 to 110% at the three levels assayed. Intra- and interday precisions, expressed as relative standard deviations (RSDs), were lower than 20 and 25%, respectively. Limits of quantification (LOQs) were equal or lower than 10 μg/kg. The developed procedure was applied to seven courgette samples, and naphthylacetic acid, naphthylacetamide and benzyladenine were found in some of the analysed samples. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Polyphenols Determination in Olive Oil Samples Based on a Thick Film Voltammetric Sensor and a Tyrosinase Biosensor

    NASA Astrophysics Data System (ADS)

    Capannesi, Cecilia; Palchetti, Ilaria; Mascini, Marco

    2000-12-01

    The aim of the present work was to compare different techniques to evaluate the variation with the storage time and storage conditions in the phenolic content of an extra-virgin olive oil. A disposable screen-printed sensor (SPE) was coupled with differential pulse voltammetry (DPV) to determine the phenolic fractions after extraction with glycine buffer; DPV parameters were chosen in order to study oxidation peak of oleuropein, that was used as reference compound. Moreover a tyrosinase based biosensor operating in organic solvent (hexane) was assembled, using an amperometric oxygen probe as transducer. Calibration curves were realised in flow injection analysis (F.I.A.) using phenol as substrate. Both of these methods are easy to operate, require no extraction (biosensor) or a rapid extraction procedure (SPE), and the analysis time is short (min.). The results obtained with these two innovative procedures were compared with classical spectrophotometric assay using the Folin-Ciocalteau reagent. Other extra-virgin olive oil quality parameters were investigated with classical methods in order to better define the alteration process and results are reported.

  20. Automated solid-phase extraction-liquid chromatography-tandem mass spectrometry analysis of 11-nor-Delta9-tetrahydrocannabinol-9-carboxylic acid in human urine specimens: application to a high-throughput urine analysis laboratory.

    PubMed

    Robandt, P V; Klette, K L; Sibum, M

    2009-10-01

    An automated solid-phase extraction coupled with liquid chromatography and tandem mass spectrometry (SPE-LC-MS-MS) method for the analysis of 11-nor-Delta(9)-tetrahydrocannabinol-9-carboxylic acid (THC-COOH) in human urine specimens was developed. The method was linear (R(2) = 0.9986) to 1000 ng/mL with no carryover evidenced at 2000 ng/mL. Limits of quantification and detection were found to be 2 ng/mL. Interrun precision was evaluated at the 15 ng/mL level over nine batches spanning 15 days (n = 45). The coefficient of variation (%CV) was found to be 5.5% over the course of the validation. Intrarun precision of a 15 ng/mL control (n = 5) ranged from 0.58% CV to 7.4% CV for the same set of analytical batches. Interference was tested using (+/-)-11-hydroxy-Delta(9)-tetrahydrocannabinol, cannabidiol, (-)-Delta(8)-tetrahydrocannabinol, and cannabinol. One hundred and nineteen specimens previously found to contain THC-COOH by a previously validated gas chromatographic mass spectrometry (GC-MS) procedure were compared to the SPE-LC-MS-MS method. Excellent agreement was found (R(2) = 0.9925) for the parallel comparison study. The automated SPE procedure eliminates the human factors of specimen handling, extraction, and derivatization, thereby reducing labor costs and rework resulting from human error or technique issues. Additionally, method runtime is greatly reduced (e.g., during parallel studies the SPE-LC-MS-MS instrument was often finished with analysis by the time the technician finished the offline SPE and derivatization procedure prior to the GC-MS analysis).

  1. Cortical spreading depression occurs during elective neurosurgical procedures.

    PubMed

    Carlson, Andrew P; William Shuttleworth, C; Mead, Brittany; Burlbaw, Brittany; Krasberg, Mark; Yonas, Howard

    2017-01-01

    OBJECTIVE Cortical spreading depression (CSD) has been observed with relatively high frequency in the period following human brain injury, including traumatic brain injury and ischemic/hemorrhagic stroke. These events are characterized by loss of ionic gradients through massive cellular depolarization, neuronal dysfunction (depression of electrocorticographic [ECoG] activity) and slow spread (2-5 mm/min) across the cortical surface. Previous data obtained in animals have suggested that even in the absence of underlying injury, neurosurgical manipulation can induce CSD and could potentially be a modifiable factor in neurosurgical injury. The authors report their initial experience with direct intraoperative ECoG monitoring for CSD. METHODS The authors prospectively enrolled patients undergoing elective craniotomy for supratentorial lesions in cases in which the surgical procedure was expected to last > 2 hours. These patients were monitored for CSD from the time of dural opening through the time of dural closure, using a standard 1 × 6 platinum electrode coupled with an AC or full-spectrum DC amplifier. The data were processed using standard techniques to evaluate for slow potential changes coupled with suppression of high-frequency ECoG propagating across the electrodes. Data were compared with CSD validated in previous intensive care unit (ICU) studies, to evaluate recording conditions most likely to permit CSD detection, and identify likely events during the course of neurosurgical procedures using standard criteria. RESULTS Eleven patients underwent ECoG monitoring during elective neurosurgical procedures. During the periods of monitoring, 2 definite CSDs were observed to occur in 1 patient and 8 suspicious events were detected in 4 patients. In other patients, either no events were observed or artifact limited interpretation of the data. The DC-coupled amplifier system represented an improvement in stability of data compared with AC-coupled systems. Compared with more widely used postoperative ICU monitoring, there were additional challenges with artifact from saturation during bipolar cautery as well as additional noise peaks detected. CONCLUSIONS CSD can occur during elective neurosurgical procedures even in brain regions distant from the immediate operative site. ECoG monitoring with a DC-coupled full-spectrum amplifier seemed to provide the most stable signal despite significant challenges to the operating room environment. CSD may be responsible for some cases of secondary surgical injury. Though further studies on outcome related to the occurrence of these events is needed, efforts to decrease the occurrence of CSD by modification of anesthetic regimen may represent a novel target for study to increase the safety of neurosurgical procedures.

  2. Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra

    NASA Astrophysics Data System (ADS)

    Cukras, Janusz; Coriani, Sonia; Decleva, Piero; Christiansen, Ove; Norman, Patrick

    2013-09-01

    A recently implemented asymmetric Lanczos algorithm for computing (complex) linear response functions within the coupled cluster singles (CCS), coupled cluster singles and iterative approximate doubles (CC2), and coupled cluster singles and doubles (CCSD) is coupled to a Stieltjes imaging technique in order to describe the photoionization cross section of atoms and molecules, in the spirit of a similar procedure recently proposed by Averbukh and co-workers within the Algebraic Diagrammatic Construction approach. Pilot results are reported for the atoms He, Ne, and Ar and for the molecules H2, H2O, NH3, HF, CO, and CO2.

  3. Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra.

    PubMed

    Cukras, Janusz; Coriani, Sonia; Decleva, Piero; Christiansen, Ove; Norman, Patrick

    2013-09-07

    A recently implemented asymmetric Lanczos algorithm for computing (complex) linear response functions within the coupled cluster singles (CCS), coupled cluster singles and iterative approximate doubles (CC2), and coupled cluster singles and doubles (CCSD) is coupled to a Stieltjes imaging technique in order to describe the photoionization cross section of atoms and molecules, in the spirit of a similar procedure recently proposed by Averbukh and co-workers within the Algebraic Diagrammatic Construction approach. Pilot results are reported for the atoms He, Ne, and Ar and for the molecules H2, H2O, NH3, HF, CO, and CO2.

  4. Polarized pressure dependence of the anisotropic dielectric functions of highly oriented poly(p-phenylene vinylene)

    NASA Astrophysics Data System (ADS)

    Morandi, V.; Galli, M.; Marabelli, F.; Comoretto, D.

    2010-04-01

    In this work, we combined an experimental technique and a detailed data analysis to investigate the influence of an applied pressure on the anisotropic dielectric functions of highly oriented poly(p-phenylene vinylene) (PPV). The dielectric constants were derived from polarized reflectance spectra recorded through a diamond anvil cell up to 50 kbar. The presence of the diamond anvils strongly affects measured spectra requiring the development in an optical model able to take all spurious effects into account. A parametric procedure was then applied to derive the complex dielectric constants for both polarizations as a function of pressure. A detailed analysis of their pressure dependence allows addressing the role of intermolecular interactions and electron-phonon coupling in highly oriented PPV.

  5. Model-based analysis of coupled equilibrium-kinetic processes: indirect kinetic studies of thermodynamic parameters using the dynamic data.

    PubMed

    Emami, Fereshteh; Maeder, Marcel; Abdollahi, Hamid

    2015-05-07

    Thermodynamic studies of equilibrium chemical reactions linked with kinetic procedures are mostly impossible by traditional approaches. In this work, the new concept of generalized kinetic study of thermodynamic parameters is introduced for dynamic data. The examples of equilibria intertwined with kinetic chemical mechanisms include molecular charge transfer complex formation reactions, pH-dependent degradation of chemical compounds and tautomerization kinetics in micellar solutions. Model-based global analysis with the possibility of calculating and embedding the equilibrium and kinetic parameters into the fitting algorithm has allowed the complete analysis of the complex reaction mechanisms. After the fitting process, the optimal equilibrium and kinetic parameters together with an estimate of their standard deviations have been obtained. This work opens up a promising new avenue for obtaining equilibrium constants through the kinetic data analysis for the kinetic reactions that involve equilibrium processes.

  6. Structural design of composite rotor blades with consideration of manufacturability, durability, and manufacturing uncertainties

    NASA Astrophysics Data System (ADS)

    Li, Leihong

    A modular structural design methodology for composite blades is developed. This design method can be used to design composite rotor blades with sophisticate geometric cross-sections. This design method hierarchically decomposed the highly-coupled interdisciplinary rotor analysis into global and local levels. In the global level, aeroelastic response analysis and rotor trim are conduced based on multi-body dynamic models. In the local level, variational asymptotic beam sectional analysis methods are used for the equivalent one-dimensional beam properties. Compared with traditional design methodology, the proposed method is more efficient and accurate. Then, the proposed method is used to study three different design problems that have not been investigated before. The first is to add manufacturing constraints into design optimization. The introduction of manufacturing constraints complicates the optimization process. However, the design with manufacturing constraints benefits the manufacturing process and reduces the risk of violating major performance constraints. Next, a new design procedure for structural design against fatigue failure is proposed. This procedure combines the fatigue analysis with the optimization process. The durability or fatigue analysis employs a strength-based model. The design is subject to stiffness, frequency, and durability constraints. Finally, the manufacturing uncertainty impacts on rotor blade aeroelastic behavior are investigated, and a probabilistic design method is proposed to control the impacts of uncertainty on blade structural performance. The uncertainty factors include dimensions, shapes, material properties, and service loads.

  7. Analytical design equations for self-tuned Class-E power amplifier.

    PubMed

    Hu, Zhe; Troyk, Philip

    2011-01-01

    For many emerging neural prosthesis designs that are powered by inductive coupling, their small physical size requires large current in the extracorporeal transmitter coil, and the Class-E power amplifier topology is often used for the transmitter design. Tuning of Class-E circuits for efficient operation is difficult and a self-tuned circuit can facilitate the tuning. The coil current is sensed and used to tune the switching of the transistor switch in the Class-E circuit in order to maintain its high-efficiency operation. Although mathematically complex, the analysis and design procedure for the self-tuned Class-E circuit can be simplified due to the current feedback control, which makes the phase angle between the switching pulse and the coil current predetermined. In this paper explicit analytical design equations are derived and a detailed design procedure is presented and compared with the conventional Class-E design approaches.

  8. Development and validation of a hydrophilic interaction chromatography-mass spectrometry assay for taurine and methionine in matrices rich in carbohydrates.

    PubMed

    de Person, Marine; Hazotte, Aurélie; Elfakir, Claire; Lafosse, Michel

    2005-07-22

    A new procedure based on hydrophilic interaction chromatography coupled to tandem mass spectrometry (ionisation process by pneumatically assisted electrospray in negative ion mode), is developed and validated for the simultaneous determination of underivatised taurine and methionine in beverages rich in carbohydrates such as energy drinks. No initial clean-up procedure and no sample derivatisation are required. Satisfactory analysis was obtained on an Astec apHera NH2 (150 mm x 4.6 mm; 5 microm) column with methanol-water (60/40) as mobile phase. The method was validated in terms of specificity, detection limits, linearity, accuracy, precision and stability, using threonine as internal standard. The potential effects of matrix and endogenous amino acid content were also examined. The limits of detection in the beverage varied from 20 microg L(-1) for taurine to 50 micro L(-1) for methionine.

  9. NASTRAN analysis of the 1/8-scale space shuttle dynamic model

    NASA Technical Reports Server (NTRS)

    Bernstein, M.; Mason, P. W.; Zalesak, J.; Gregory, D. J.; Levy, A.

    1973-01-01

    The space shuttle configuration has more complex structural dynamic characteristics than previous launch vehicles primarily because of the high model density at low frequencies and the high degree of coupling between the lateral and longitudinal motions. An accurate analytical representation of these characteristics is a primary means for treating structural dynamics problems during the design phase of the shuttle program. The 1/8-scale model program was developed to explore the adequacy of available analytical modeling technology and to provide the means for investigating problems which are more readily treated experimentally. The basic objectives of the 1/8-scale model program are: (1) to provide early verification of analytical modeling procedures on a shuttle-like structure, (2) to demonstrate important vehicle dynamic characteristics of a typical shuttle design, (3) to disclose any previously unanticipated structural dynamic characteristics, and (4) to provide for development and demonstration of cost effective prototype testing procedures.

  10. Duct wall impedance control as an advanced concept for acoustic suppression enhancement. [engine noise reduction

    NASA Technical Reports Server (NTRS)

    Dean, P. D.

    1978-01-01

    A systems concept procedure is described for the optimization of acoustic duct liner design for both uniform and multisegment types. The concept was implemented by the use of a double reverberant chamber flow duct facility coupled with sophisticated computer control and acoustic analysis systems. The optimization procedure for liner insertion loss was based on the concept of variable liner impedance produced by bias air flow through a multilayer, resonant cavity liner. A multiple microphone technique for in situ wall impedance measurements was used and successfully adapted to produce automated measurements for all liner configurations tested. The complete validation of the systems concept was prevented by the inability to optimize the insertion loss using bias flow induced wall impedance changes. This inability appeared to be a direct function of the presence of a higher order energy carrying modes which were not influenced significantly by the wall impedance changes.

  11. Self-motion perception: assessment by real-time computer-generated animations

    NASA Technical Reports Server (NTRS)

    Parker, D. E.; Phillips, J. O.

    2001-01-01

    We report a new procedure for assessing complex self-motion perception. In three experiments, subjects manipulated a 6 degree-of-freedom magnetic-field tracker which controlled the motion of a virtual avatar so that its motion corresponded to the subjects' perceived self-motion. The real-time animation created by this procedure was stored using a virtual video recorder for subsequent analysis. Combined real and illusory self-motion and vestibulo-ocular reflex eye movements were evoked by cross-coupled angular accelerations produced by roll and pitch head movements during passive yaw rotation in a chair. Contrary to previous reports, illusory self-motion did not correspond to expectations based on semicircular canal stimulation. Illusory pitch head-motion directions were as predicted for only 37% of trials; whereas, slow-phase eye movements were in the predicted direction for 98% of the trials. The real-time computer-generated animations procedure permits use of naive, untrained subjects who lack a vocabulary for reporting motion perception and is applicable to basic self-motion perception studies, evaluation of motion simulators, assessment of balance disorders and so on.

  12. On the prediction of auto-rotational characteristics of light airplane fuselages

    NASA Technical Reports Server (NTRS)

    Pamadi, B. N.; Taylor, L. W., Jr.

    1984-01-01

    A semi-empirical theory is presented for the estimation of aerodynamic forces and moments acting on a steadily rotating (spinning) airplane fuselage, with a particular emphasis on the prediction of its auto-rotational behavior. This approach is based on an extension of the available analytical methods for high angle of attack and side-slip and then coupling this procedure with strip theory for application to a rotating airplane fuselage. The analysis is applied to the fuselage of a light general aviation airplane and the results are shown to be in fair agreement with experimental data.

  13. Classical analogous of quantum cosmological perfect fluid models

    NASA Astrophysics Data System (ADS)

    Batista, A. B.; Fabris, J. C.; Gonçalves, S. V. B.; Tossa, J.

    2001-05-01

    Quantization in the minisuperspace of a gravity system coupled to a perfect fluid, leads to a solvable model which implies singularity free solutions through the construction of a superposition of the wavefunctions. We show that such models are equivalent to a classical system where, besides the perfect fluid, a repulsive fluid with an equation of state pQ= ρQ is present. This leads to speculate on the true nature of this quantization procedure. A perturbative analysis of the classical system reveals the condition for the stability of the classical system in terms of the existence of an anti-gravity phase.

  14. Design and Analysis of Enhanced Modulation Response in Integrated Coupled Cavities DBR Lasers Using Photon-Photon Resonance

    DOE PAGES

    Bardella, Paolo; Chow, Weng; Montrosset, Ivo

    2016-01-08

    In the last decades, various solutions have been proposed to increase the modulation bandwidth and consequently the transmission bit rate of integrated semiconductor lasers. In this manuscript we discuss a design procedure for a recently proposed laser structure realized with the integration of two DBR lasers. Design guidelines will be proposed and dynamic small and large signal simulations, calculated using a Finite Difference Traveling Wave numerical simulator, will be performed to confirm the design results and the effectiveness of the analyzed integrated configuration to achieve a direct modulation bandwidth up to 80 GHz

  15. CRT image recording evaluation

    NASA Technical Reports Server (NTRS)

    1971-01-01

    Performance capabilities and limitations of a fiber optic coupled line scan CRT image recording system were investigated. The test program evaluated the following components: (1). P31 phosphor CRT with EMA faceplate; (2). P31 phosphor CRT with clear clad faceplate; (3). Type 7743 semi-gloss dry process positive print paper; (4). Type 777 flat finish dry process positive print paper; (5). Type 7842 dry process positive film; and (6). Type 1971 semi-gloss wet process positive print paper. Detailed test procedures used in each test are provided along with a description of each test, the test data, and an analysis of the results.

  16. QUANTITATIVE RADIO-CHEMICAL ANALYSIS-SOLVENT EXTRACTION OF MOLYBDENUM-99

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

    Wish, L.

    1961-09-12

    A method was developed for the rapid quantitative separation of Mo/sup 99/ from fission product mixtures. It is based on the extraction of Mo into a solution of alpha -benzoin oxime in chloroform. The main contaminants are Zr, Nb, and 1. The first two are eliminated by couple with fluoride and the third by volatilization or solvent extraction. About 5% of the Te/sup 99/ daughter is extracted with its parent, and it is necessary to wait 48 hrs for equilibrium of fission product mixtures by this method and a standard radiochemical gravimetric procedure showed agreement within 1 to 2%. (auth)

  17. Advances in interpretation of subsurface processes with time-lapse electrical imaging

    USGS Publications Warehouse

    Singha, Kaminit; Day-Lewis, Frederick D.; Johnson, Tim B.; Slater, Lee D.

    2015-01-01

    Electrical geophysical methods, including electrical resistivity, time-domain induced polarization, and complex resistivity, have become commonly used to image the near subsurface. Here, we outline their utility for time-lapse imaging of hydrological, geochemical, and biogeochemical processes, focusing on new instrumentation, processing, and analysis techniques specific to monitoring. We review data collection procedures, parameters measured, and petrophysical relationships and then outline the state of the science with respect to inversion methodologies, including coupled inversion. We conclude by highlighting recent research focused on innovative applications of time-lapse imaging in hydrology, biology, ecology, and geochemistry, among other areas of interest.

  18. Advances in interpretation of subsurface processes with time-lapse electrical imaging

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

    Singha, Kamini; Day-Lewis, Frederick D.; Johnson, Timothy C.

    2015-03-15

    Electrical geophysical methods, including electrical resistivity, time-domain induced polarization, and complex resistivity, have become commonly used to image the near subsurface. Here, we outline their utility for time-lapse imaging of hydrological, geochemical, and biogeochemical processes, focusing on new instrumentation, processing, and analysis techniques specific to monitoring. We review data collection procedures, parameters measured, and petrophysical relationships and then outline the state of the science with respect to inversion methodologies, including coupled inversion. We conclude by highlighting recent research focused on innovative applications of time-lapse imaging in hydrology, biology, ecology, and geochemistry, among other areas of interest.

  19. Psychiatric Aspects of Artificial Insemination (Donor)

    PubMed Central

    Watters, W. W.; Sousa-Poza, J.

    1966-01-01

    Artificial insemination (donor) [A.I.D.] in humans is a medical procedure that has been carried out for roughly 50 years. Its legal status has not yet been established; its moral implications are still hotly contested, and its psychological and psychiatric implications are only now coming under scientific scrutiny. The use of this procedure in couples who are psychologically unsuited for it can have unfortunate consequences. The obstetrician should seek the assistance of a dynamically oriented psychiatrist in screening couples who ask for artificial insemination (donor). Parenthood, in line with psychoanalytic ego psychology, is seen as a phase of ego development. The potential for mothering and fathering children is a later stage in growth than the capacity to conceive and sire them. It is the psychiatrist's role to assess the couple's motivation for A.I.D. in the light of the extent to which they have achieved this degree of ego development. PMID:20328602

  20. The development of flux-split algorithms for flows with non-equilibrium thermodynamics and chemical reactions

    NASA Technical Reports Server (NTRS)

    Grossman, B.; Cinella, P.

    1988-01-01

    A finite-volume method for the numerical computation of flows with nonequilibrium thermodynamics and chemistry is presented. A thermodynamic model is described which simplifies the coupling between the chemistry and thermodynamics and also results in the retention of the homogeneity property of the Euler equations (including all the species continuity and vibrational energy conservation equations). Flux-splitting procedures are developed for the fully coupled equations involving fluid dynamics, chemical production and thermodynamic relaxation processes. New forms of flux-vector split and flux-difference split algorithms are embodied in a fully coupled, implicit, large-block structure, including all the species conservation and energy production equations. Several numerical examples are presented, including high-temperature shock tube and nozzle flows. The methodology is compared to other existing techniques, including spectral and central-differenced procedures, and favorable comparisons are shown regarding accuracy, shock-capturing and convergence rates.

  1. Public-channel cryptography based on mutual chaos pass filters.

    PubMed

    Klein, Einat; Gross, Noam; Kopelowitz, Evi; Rosenbluh, Michael; Khaykovich, Lev; Kinzel, Wolfgang; Kanter, Ido

    2006-10-01

    We study the mutual coupling of chaotic lasers and observe both experimentally and in numeric simulations that there exists a regime of parameters for which two mutually coupled chaotic lasers establish isochronal synchronization, while a third laser coupled unidirectionally to one of the pair does not synchronize. We then propose a cryptographic scheme, based on the advantage of mutual coupling over unidirectional coupling, where all the parameters of the system are public knowledge. We numerically demonstrate that in such a scheme the two communicating lasers can add a message signal (compressed binary message) to the transmitted coupling signal and recover the message in both directions with high fidelity by using a mutual chaos pass filter procedure. An attacker, however, fails to recover an errorless message even if he amplifies the coupling signal.

  2. Aliphatic imines in titanium-mediated reductive cross-coupling: unique reactivity of Ti(O-i-Pr)4/n-BuLi.

    PubMed

    Tarselli, Michael A; Micalizio, Glenn C

    2009-10-15

    A procedure for the coupling of aliphatic imines with allylic and allenic alkoxides is described. The success of these studies was enabled by a unique reactivity profile of Ti(IV) isopropoxide/n-BuLi compared to well-known Ti(IV) isopropoxide/RMgX systems.

  3. Iron-catalyzed cross-coupling of N-heterocyclic chlorides and bromides with arylmagnesium reagents.

    PubMed

    Kuzmina, Olesya M; Steib, Andreas K; Flubacher, Dietmar; Knochel, Paul

    2012-09-21

    A simple, practical iron salt catalyzed procedure allows fast cross-couplings of N-heterocyclic chlorides and bromides with various electron-rich and -poor arylmagnesium reagents. A solvent mixture of THF and tBuOMe is found to be essential for achieving high yields mainly by avoiding homocoupling side reactions.

  4. Happy Spouses, Happy Parents? Family Relationships among Finnish and Dutch Dual Earners

    ERIC Educational Resources Information Center

    Malinen, Kaisa; Kinnunen, Ulla; Tolvanen, Asko; Ronka, Anna; Wierda-Boer, Hilde; Gerris, Jan

    2010-01-01

    In this study links between spousal and parent-child relationships among Finnish (n = 157 couples) and Dutch (n = 276 couples) dual earners with young children were examined using paired questionnaire data. Variable-oriented analyses (structural equation modeling with a multigroup procedure) supported the spillover hypothesis, as higher levels of…

  5. Obtaining the Electron Angular Momentum Coupling Spectroscopic Terms, jj

    ERIC Educational Resources Information Center

    Orofino, Hugo; Faria, Roberto B.

    2010-01-01

    A systematic procedure is developed to obtain the electron angular momentum coupling (jj) spectroscopic terms, which is based on building microstates in which each individual electron is placed in a different m[subscript j] "orbital". This approach is similar to that used to obtain the spectroscopic terms under the Russell-Saunders (LS) coupling…

  6. Free wake analysis of hover performance using a new influence coefficient method

    NASA Technical Reports Server (NTRS)

    Quackenbush, Todd R.; Bliss, Donald B.; Ong, Ching Cho; Ching, Cho Ong

    1990-01-01

    A new approach to the prediction of helicopter rotor performance using a free wake analysis was developed. This new method uses a relaxation process that does not suffer from the convergence problems associated with previous time marching simulations. This wake relaxation procedure was coupled to a vortex-lattice, lifting surface loads analysis to produce a novel, self contained performance prediction code: EHPIC (Evaluation of Helicopter Performance using Influence Coefficients). The major technical features of the EHPIC code are described and a substantial amount of background information on the capabilities and proper operation of the code is supplied. Sample problems were undertaken to demonstrate the robustness and flexibility of the basic approach. Also, a performance correlation study was carried out to establish the breadth of applicability of the code, with very favorable results.

  7. Laser ablation in analytical chemistry - A review

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

    Russo, Richard E.; Mao, Xianglei; Liu, Haichen

    Laser ablation is becoming a dominant technology for direct solid sampling in analytical chemistry. Laser ablation refers to the process in which an intense burst of energy delivered by a short laser pulse is used to sample (remove a portion of) a material. The advantages of laser ablation chemical analysis include direct characterization of solids, no chemical procedures for dissolution, reduced risk of contamination or sample loss, analysis of very small samples not separable for solution analysis, and determination of spatial distributions of elemental composition. This review describes recent research to understand and utilize laser ablation for direct solid sampling,more » with emphasis on sample introduction to an inductively coupled plasma (ICP). Current research related to contemporary experimental systems, calibration and optimization, and fractionation is discussed, with a summary of applications in several areas.« less

  8. Analysis of In Vivo Chromatin and Protein Interactions of Arabidopsis Transcript Elongation Factors.

    PubMed

    Pfab, Alexander; Antosz, Wojciech; Holzinger, Philipp; Bruckmann, Astrid; Griesenbeck, Joachim; Grasser, Klaus D

    2017-01-01

    A central step to elucidate the function of proteins commonly comprises the analysis of their molecular interactions in vivo. For nuclear regulatory proteins this involves determining protein-protein interactions as well as mapping of chromatin binding sites. Here, we present two protocols to identify protein-protein and chromatin interactions of transcript elongation factors (TEFs) in Arabidopsis. The first protocol (Subheading 3.1) describes protein affinity-purification coupled to mass spectrometry (AP-MS) that utilizes suspension cultured cells as experimental system. This approach provides an unbiased view of proteins interacting with epitope-tagged TEFs. The second protocol (Subheading 3.2) depicts details about a chromatin immunoprecipitation (ChIP) procedure to characterize genomic binding sites of TEFs. These methods should be valuable tools for the analysis of a broad variety of nuclear proteins.

  9. Preimplantation genetic diagnosis for cancer predisposition.

    PubMed

    Rechitsky, Svetlana; Verlinsky, Oleg; Chistokhina, Anna; Sharapova, Tatyana; Ozen, Seckin; Masciangelo, Christina; Kuliev, Anver; Verlinsky, Yury

    2002-01-01

    Preimplantation genetic diagnosis (PGD) has recently been offered for couples with an inherited predisposition for late onset disorders. This paper presents the results of PGD for a group of couples at risk for producing children with cancer predisposition. Using a standard IVF procedure, oocytes or embryos were tested for different mutations predisposing to cancer, preselecting and transferring only mutation-free embryos back to the patients. The procedure was performed for patients with predisposition to familial adenomatous polyposis coli (FAP), Von Hippel-Lindau syndrome (VHL), retinoblastoma, Li-Fraumeni syndrome, determined by p53 tumour suppressor gene mutations, neurofibromatosis types I and II and familial posterior fossa brain tumour (hSNF5). Overall, 20 PGD cycles were performed for 10 couples, resulting in preselection and transfer of 40 mutation-free embryos, which resulted in five unaffected clinical pregnancies and four healthy children born by the present time. Despite the controversy of PGD use for late onset disorders, the data demonstrate the usefulness of this approach as the only acceptable option for at-risk couples to avoid the birth of children with an inherited predisposition to cancer, and to have a healthy child.

  10. Mining author relationship in scholarly networks based on tripartite citation analysis

    PubMed Central

    Wang, Xiaohan; Yang, Siluo

    2017-01-01

    Following scholars in Scientometrics as examples, we develop five author relationship networks, namely, co-authorship, author co-citation (AC), author bibliographic coupling (ABC), author direct citation (ADC), and author keyword coupling (AKC). The time frame of data sets is divided into two periods: before 2011 (i.e., T1) and after 2011 (i.e., T2). Through quadratic assignment procedure analysis, we found that some authors have ABC or AC relationships (i.e., potential communication relationship, PCR) but do not have actual collaborations or direct citations (i.e., actual communication relationship, ACR) among them. In addition, we noticed that PCR and AKC are highly correlated and that the old PCR and the new ACR are correlated and consistent. Such facts indicate that PCR tends to produce academic exchanges based on similar themes, and ABC bears more advantages in predicting potential relations. Based on tripartite citation analysis, including AC, ABC, and ADC, we also present an author-relation mining process. Such process can be used to detect deep and potential author relationships. We analyze the prediction capacity by comparing between the T1 and T2 periods, which demonstrate that relation mining can be complementary in identifying authors based on similar themes and discovering more potential collaborations and academic communities. PMID:29117198

  11. The COSMO-CLM 4.8 regional climate model coupled to regional ocean, land surface and global earth system models using OASIS3-MCT: description and performance

    NASA Astrophysics Data System (ADS)

    Will, Andreas; Akhtar, Naveed; Brauch, Jennifer; Breil, Marcus; Davin, Edouard; Ho-Hagemann, Ha T. M.; Maisonnave, Eric; Thürkow, Markus; Weiher, Stefan

    2017-04-01

    We developed a coupled regional climate system model based on the CCLM regional climate model. Within this model system, using OASIS3-MCT as a coupler, CCLM can be coupled to two land surface models (the Community Land Model (CLM) and VEG3D), the NEMO-MED12 regional ocean model for the Mediterranean Sea, two ocean models for the North and Baltic seas (NEMO-NORDIC and TRIMNP+CICE) and the MPI-ESM Earth system model.We first present the different model components and the unified OASIS3-MCT interface which handles all couplings in a consistent way, minimising the model source code modifications and defining the physical and numerical aspects of the couplings. We also address specific coupling issues like the handling of different domains, multiple usage of the MCT library and exchange of 3-D fields.We analyse and compare the computational performance of the different couplings based on real-case simulations over Europe. The usage of the LUCIA tool implemented in OASIS3-MCT enables the quantification of the contributions of the coupled components to the overall coupling cost. These individual contributions are (1) cost of the model(s) coupled, (2) direct cost of coupling including horizontal interpolation and communication between the components, (3) load imbalance, (4) cost of different usage of processors by CCLM in coupled and stand-alone mode and (5) residual cost including i.a. CCLM additional computations.Finally a procedure for finding an optimum processor configuration for each of the couplings was developed considering the time to solution, computing cost and parallel efficiency of the simulation. The optimum configurations are presented for sequential, concurrent and mixed (sequential+concurrent) coupling layouts. The procedure applied can be regarded as independent of the specific coupling layout and coupling details.We found that the direct cost of coupling, i.e. communications and horizontal interpolation, in OASIS3-MCT remains below 7 % of the CCLM stand-alone cost for all couplings investigated. This is in particular true for the exchange of 450 2-D fields between CCLM and MPI-ESM. We identified remaining limitations in the coupling strategies and discuss possible future improvements of the computational efficiency.

  12. On-line double isotope dilution laser ablation inductively coupled plasma mass spectrometry for the quantitative analysis of solid materials.

    PubMed

    Fernández, Beatriz; Rodríguez-González, Pablo; García Alonso, J Ignacio; Malherbe, Julien; García-Fonseca, Sergio; Pereiro, Rosario; Sanz-Medel, Alfredo

    2014-12-03

    We report on the determination of trace elements in solid samples by the combination of on-line double isotope dilution and laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). The proposed method requires the sequential analysis of the sample and a certified natural abundance standard by on-line IDMS using the same isotopically-enriched spike solution. In this way, the mass fraction of the analyte in the sample can be directly referred to the certified standard so the previous characterization of the spike solution is not required. To validate the procedure, Sr, Rb and Pb were determined in certified reference materials with different matrices, including silicate glasses (SRM 610, 612 and 614) and powdered samples (PACS-2, SRM 2710a, SRM 1944, SRM 2702 and SRM 2780). The analysis of powdered samples was carried out both by the preparation of pressed pellets and by lithium borate fusion. Experimental results for the analysis of powdered samples were in agreement with the certified values for all materials. Relative standard deviations in the range of 6-21% for pressed pellets and 3-21% for fused solids were obtained from n=3 independent measurements. Minimal sample preparation, data treatment and consumption of the isotopically-enriched isotopes are the main advantages of the method over previously reported approaches. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. A Straightforward and Highly Efficient Precipitation/On-pellet Digestion Procedure Coupled to a Long Gradient Nano-LC Separation and Orbitrap Mass Spectrometry for Label-free Expression Profiling of the Swine Heart Mitochondrial Proteome

    PubMed Central

    Duan, Xiaotao; Young, Rebecca; Straubinger, Robert M.; Page, Brian J.; Cao, Jin; Wang, Hao; Yu, Haoying; Canty, John M.; Qu, Jun

    2009-01-01

    For label-free expression profiling of tissue proteomes, efficient protein extraction, thorough and quantitative sample cleanup and digestion procedures, as well as sufficient and reproducible chromatographic separation, are highly desirable but remain challenging. However, optimal methodology has remained elusive, especially for proteomes that are rich in membrane proteins, such as the mitochondria. Here we describe a straightforward and reproducible sample preparation procedure, coupled with a highly selective and sensitive nano-LC/Orbitrap analysis, which enables reliable and comprehensive expression profiling of tissue mitochondria. The mitochondrial proteome of swine heart was selected as a test system. Efficient protein extraction was accomplished using a strong buffer containing both ionic and non-ionic detergents. Overnight precipitation was used for cleanup of the extract, and the sample was subjected to an optimized 2-step, on-pellet digestion approach. In the first step, the protein pellet was dissolved via a 4 h tryptic digestion under vigorous agitation, which nano-LC/LTQ/ETD showed to produce large and incompletely cleaved tryptic peptides. The mixture was then reduced, alkylated, and digested into its full complement of tryptic peptides with additional trypsin. This solvent precipitation/on-pellet digestion procedure achieved significantly higher and more reproducible peptide recovery of the mitochondrial preparation, than observed using a prevalent alternative procedure for label-free expression profiling, SDS-PAGE/in-gel digestion (87% vs. 54%). Furthermore, uneven peptide losses were lower than observed with SDS-PAGE/in-gel digestion. The resulting peptides were sufficiently resolved by a 5 h gradient using a nano-LC configuration that features a low-void-volume, high chromatographic reproducibility, and an LTQ/Orbitrap analyzer for protein identification and quantification. The developed method was employed for label-free comparison of the mitochondrial proteomes of myocardium from healthy animals vs. those with hibernating myocardium. Each experimental group consisted of a relatively large number of animals (n=10), and samples were analyzed in random order to minimize quantitative false-positives. Using this approach, 904 proteins were identified and quantified with high confidence, and those mitochondrial proteins that were altered significantly between groups were compared with the results of a parallel 2D-DIGE analysis. The sample preparation and analytical strategy developed here represents an advancement that can be adapted to analyze other tissue proteomes. PMID:19290621

  14. Couplings of gravitational currents with Chern-Simons gravities

    NASA Astrophysics Data System (ADS)

    Ertem, Ümit; Açık, Özgür

    2013-02-01

    The coupling of conserved p-brane currents with non-Abelian gauge theories is done consistently by using Chern-Simons forms. Conserved currents localized on p-branes that have a gravitational origin can be constructed from Killing-Yano forms of the underlying spacetime. We propose a generalization of the coupling procedure with Chern-Simons gravities to the case of gravitational conserved currents. In odd dimensions, the field equations of coupled Chern-Simons gravities that describe the local curvature on p-branes are obtained. In special cases of three and five dimensions, the field equations are investigated in detail.

  15. Dry coupling for whole-body small-animal photoacoustic computed tomography

    NASA Astrophysics Data System (ADS)

    Yeh, Chenghung; Li, Lei; Zhu, Liren; Xia, Jun; Li, Chiye; Chen, Wanyi; Garcia-Uribe, Alejandro; Maslov, Konstantin I.; Wang, Lihong V.

    2017-04-01

    We have enhanced photoacoustic computed tomography with dry acoustic coupling that eliminates water immersion anxiety and wrinkling of the animal and facilitates incorporating complementary modalities and procedures. The dry acoustic coupler is made of a tubular elastic membrane enclosed by a closed transparent water tank. The tubular membrane ensures water-free contact with the animal, and the closed water tank allows pressurization for animal stabilization. The dry coupler was tested using a whole-body small-animal ring-shaped photoacoustic computed tomography system. Dry coupling was found to provide image quality comparable to that of conventional water coupling.

  16. PDF approach for compressible turbulent reacting flows

    NASA Technical Reports Server (NTRS)

    Hsu, A. T.; Tsai, Y.-L. P.; Raju, M. S.

    1993-01-01

    The objective of the present work is to develop a probability density function (pdf) turbulence model for compressible reacting flows for use with a CFD flow solver. The probability density function of the species mass fraction and enthalpy are obtained by solving a pdf evolution equation using a Monte Carlo scheme. The pdf solution procedure is coupled with a compressible CFD flow solver which provides the velocity and pressure fields. A modeled pdf equation for compressible flows, capable of capturing shock waves and suitable to the present coupling scheme, is proposed and tested. Convergence of the combined finite-volume Monte Carlo solution procedure is discussed, and an averaging procedure is developed to provide smooth Monte-Carlo solutions to ensure convergence. Two supersonic diffusion flames are studied using the proposed pdf model and the results are compared with experimental data; marked improvements over CFD solutions without pdf are observed. Preliminary applications of pdf to 3D flows are also reported.

  17. [Extending preimplantation genetic diagnosis to HLA typing: the French exception].

    PubMed

    Steffann, Julie; Frydman, Nelly; Burlet, Philippe; Gigarel, Nadine; Hesters, Laetitia; Kerbrat, Violaine; Lamazou, Frédéric; Munnich, Arnold; Frydman, René

    2011-01-01

    Umut-Talha, a "sibling savior", was born on 26 January 2011 at Beclère Hospital after embryo selection at the Paris preimplantation genetic diagnosis (PGD) center. His birth revived the controversy over "double PGD". This procedure, authorized in France since 2006, allows couples who already have a child with a serious, incurable genetic disease, to opt for PGD in order to select a healthy embryo that is HLA-matched to the affected sibling and who may thus serve as an ombilical cord blood donor. The procedure is particularly complex and the baby take-home rate is still very low. Double PGD is strictly regulated in France, and candidate couples must first receive individual authorization from the Biomedicine Agency. In our experience, these couples have a strong desire to have children, as reflected by the large number of prior spontaneous pregnancies (25% of couples). Likewise, most of these couples request embryo transfer even when there is no HLA-matched embryo, which accounts for more than half of embryo transfers. The controversy surrounding this practice has flared up again in recent weeks, over the concepts of "designer babies" and "double savior siblings" (the baby is selected to be free of the hereditary disease, and may also serve as a stem cell donor for the affected sibling).

  18. Screening of redox couples and electrode materials

    NASA Technical Reports Server (NTRS)

    Giner, J.; Swette, L.; Cahill, K.

    1976-01-01

    Electrochemical parameters of selected redox couples that might be potentially promising for application in bulk energy storage systems were investigated. This was carried out in two phases: a broad investigation of the basic characteristics and behavior of various redox couples, followed by a more limited investigation of their electrochemical performance in a redox flow reactor configuration. In the first phase of the program, eight redox couples were evaluated under a variety of conditions in terms of their exchange current densities as measured by the rotating disk electrode procedure. The second phase of the program involved the testing of four couples in a redox reactor under flow conditions with a varity of electrode materials and structures.

  19. Application of viscous-inviscid interaction methods to transonic turbulent flows

    NASA Technical Reports Server (NTRS)

    Lee, D.; Pletcher, R. H.

    1986-01-01

    Two different viscous-inviscid interaction schemes were developed for the analysis of steady, turbulent, transonic, separated flows over axisymmetric bodies. The viscous and inviscid solutions are coupled through the displacement concept using a transpiration velocity approach. In the semi-inverse interaction scheme, the viscous and inviscid equations are solved in an explicitly separate manner and the displacement thickness distribution is iteratively updated by a simple coupling algorithm. In the simultaneous interaction method, local solutions of viscous and inviscid equations are treated simultaneously, and the displacement thickness is treated as an unknown and is obtained as a part of the solution through a global iteration procedure. The inviscid flow region is described by a direct finite-difference solution of a velocity potential equation in conservative form. The potential equation is solved on a numerically generated mesh by an approximate factorization (AF2) scheme in the semi-inverse interaction method and by a successive line overrelaxation (SLOR) scheme in the simultaneous interaction method. The boundary-layer equations are used for the viscous flow region. The continuity and momentum equations are solved inversely in a coupled manner using a fully implicit finite-difference scheme.

  20. Conflict resolution patterns and longevity of adolescent romantic couples: a 2-year follow-up study.

    PubMed

    Shulman, Shmuel; Tuval-Mashiach, Rivka; Levran, Elisheva; Anbar, Shmuel

    2006-08-01

    This study examined the predictors of longevity among 40 late adolescent romantic couples (mean age males=17.71 years; mean age females=17.18 years). Subjects were given a revealed differences task where they were asked to solve their disagreements. The joint task was recorded, transcribed and analysed by two raters. At 3, 6, 9, 12, 18, and 24 months after this procedure, partners were contacted by telephone and asked whether their relationship was still intact. A cluster analysis was performed on couples' interaction indices and yielded three distinctive conflict resolution patterns. The Downplaying pattern was characterized by a high tendency to minimize the conflict. The relationships of the adolescents displaying this pattern stayed intact for a period of 9 months. Half of them were still together after 24 months. The adolescents displaying the Integrative pattern, which shows a good ability to negotiate differences tended to stay together over a period of 24 months. Those showing the Conflictive pattern, characterized by a confrontative interaction, were separated by the 3 months follow-up. Results are discussed within the context of developmental perspectives of conflict resolution tendencies and adolescent romance.

  1. Evaluation of Operational Procedures for Using a Time-Based Airborne Inter-arrival Spacing Tool

    NASA Technical Reports Server (NTRS)

    Oseguera-Lohr, Rosa M.; Lohr, Gary W.; Abbott, Terence S.; Eischeid, Todd M.

    2002-01-01

    An airborne tool has been developed based on the concept of an aircraft maintaining a time-based spacing interval from the preceding aircraft. The Advanced Terminal Area Approach Spacing (ATAAS) tool uses Automatic Dependent Surveillance-Broadcast (ADS-B) aircraft state data to compute a speed command for the ATAAS-equipped aircraft to obtain a required time interval behind another aircraft. The tool and candidate operational procedures were tested in a high-fidelity, full mission simulator with active airline subject pilots flying an arrival scenario using three different modes for speed control. The objectives of this study were to validate the results of a prior Monte Carlo analysis of the ATAAS algorithm and to evaluate the concept from the standpoint of pilot acceptability and workload. Results showed that the aircraft was able to consistently achieve the target spacing interval within one second (the equivalent of approximately 220 ft at a final approach speed of 130 kt) when the ATAAS speed guidance was autothrottle-coupled, and a slightly greater (4-5 seconds), but consistent interval with the pilot-controlled speed modes. The subject pilots generally rated the workload level with the ATAAS procedure as similar to that with standard procedures, and also rated most aspects of the procedure high in terms of acceptability. Although pilots indicated that the head-down time was higher with ATAAS, the acceptability of head-down time was rated high. Oculometer data indicated slight changes in instrument scan patterns, but no significant change in the amount of time spent looking out the window between the ATAAS procedure versus standard procedures.

  2. Preimplantation genetic diagnosis for gender selection in the United States

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

    Colls, P.; Silver, L.; Olivera, G.

    Preimplantation genetic diagnosis (PGD) of gender selection for non medical reasons has been considered an unethical procedure by several authors and agencies in the Western society on the basis of disrupting the sex ratio, being discriminatory againsts women and disposal of normal embryos of the non desired gender. In this study, the analysis of a large series of PGD procedures for gender selection from a wide geographical area in the United States, shows that in general there is no deviation in preference towards any specific gender except for a preference of males in some ethnic populations of Chinese, Indian andmore » Middle Eastern origin that represent a small percentage of the US population. In cases where only normal embryos of the non-desired gender are available, 45.5% of the couples elect to cancel the transfer, while 54.5% of them are open to have transferred embryos of the non-desired gender, this fact being strongly linked to cultural and ethnical background of the parents. In addition this study adds some evidence to the proposition that in couples with previous children of a given gender there is no biological predisposition towards producing embryos of that same gender. Based on these facts, it seems that objections to gender selection formulated by ethics committees and scientific societies are not well-founded.« less

  3. Quantification issues of trace metal contaminants on silicon wafers by means of TOF-SIMS, ICP-MS, and TXRF

    NASA Astrophysics Data System (ADS)

    Rostam-Khani, P.; Hopstaken, M. J. P.; Vullings, P.; Noij, G.; O'Halloran, O.; Claassen, W.

    2004-06-01

    Measurement of surface metal contamination on silicon wafers is essential for yield enhancement in IC manufacturing. Vapor phase decomposition coupled with either inductively coupled plasma mass spectrometry (VPD-ICP-MS), or total reflection X-ray fluorescence (VPD-TXRF), TXRF and more recently time of flight secondary ion mass spectrometry (TOF-SIMS) are used to monitor surface metal contamination. These techniques complement each other in their respective strengths and weaknesses. For reliable and accurate quantification, so-called relative sensitivity factors (RSF) are required for TOF-SIMS analysis. For quantification purposes in VPD, the collection efficiency (CE) is important to ensure complete collection of contamination. A standard procedure has been developed that combines the determination of these RSFs as well as the collection efficiency using all the analytical techniques mentioned above. Therefore, sample wafers were intentionally contaminated and analyzed (by TOF-SIMS) directly after preparation. After VPD-ICP-MS, several scanned surfaces were analyzed again by TOF-SIMS. Comparing the intensities of the specific metals before and after the VPD-DC procedure on the scanned surface allows the determination of so-called removing efficiency (RE). In general, very good agreement was obtained comparing the four analytical techniques after updating the RSFs for TOF-SIMS. Progress has been achieved concerning the CE evaluation as well as determining the RSFs more precisely for TOF-SIMS.

  4. Enantioselective determination of the organochlorine pesticide bromocyclen in spiked fish tissue using solid-phase microextraction coupled to gas chromatography with ECD and ICP-MS detection.

    PubMed

    Fidalgo-Used, Natalia; Montes-Bayón, Maria; Blanco-González, Elisa; Sanz-Medel, Alfredo

    2008-05-15

    A method for enantioselective determination of bromocyclen enantiomers in fish tissue has been developed. The enantiomers were resolved by capillary gas chromatography (GC) using a commercial chiral column (CP-Chirasil-Dex CB) and a temperature program from 50 degrees C (held for 1 min), raised to 140 degrees C at 40 degrees C min(-1) and then raised at 0.2 degrees C min(-1) to 155 degrees C. This enantioselective gas chromatographic separation was combined with a clean-up/enrichment procedure based on solid-phase microextraction (SPME). Under SPME optimized conditions, precision, linearity range and detection limits of the developed SPME-enantioselective GC procedure were evaluated and compared using two different detection systems: a classical electron-capture detection (ECD) and an element specific detection using inductively coupled plasma mass spectrometry (ICP-MS). The SPME-GC-ECD method exhibited an excellent sensitivity, with detection limits of 0.2 ng L(-1) for each enantiomer of bromocyclen. Although ICP-MS offered poorer detection limits (7 ng L(-1) as Br, equivalent to 36 ng L(-1) of each enantiomer) than conventional ECD detector, it proved to be clearly superior in terms of selectivity. The relative potential and performance of the two compared methods for real-life analysis has been illustrated by the determination of enantiomers of bromocyclen in spiked tissue extracts of trout.

  5. Online-LASIL: Laser Ablation of Solid Samples in Liquid with online-coupled ICP-OES detection for direct determination of the stoichiometry of complex metal oxide thin layers.

    PubMed

    Bonta, Maximilian; Frank, Johannes; Taibl, Stefanie; Fleig, Jürgen; Limbeck, Andreas

    2018-02-13

    Advanced materials such as complex metal oxides are used in a wide range of applications and have further promising perspectives in the form of thin films. The exact chemical composition essentially influences the electronic properties of these materials which makes correct assessment of their composition necessary. However, due to high chemical resistance and in the case of thin films low absolute analyte amounts, this procedure is in most cases not straightforward and extremely time-demanding. Commonly applied techniques either lack in ease of use (i.e., solution-based analysis with preceding sample dissolution), or adequately accurate quantification (i.e., solid sampling techniques). An analysis approach which combines the beneficial aspects of solution-based analysis as well as direct solid sampling is Laser Ablation of a Sample in Liquid (LASIL). In this work, it is shown that the analysis of major as well as minor sample constituents is possible using a novel online-LASIL setup, allowing sample analysis without manual sample handling after placing it in an ablation chamber. Strontium titanate (STO) thin layers with different compositions were analyzed in the course of this study. Precision of the newly developed online-LASIL method is comparable to conventional wet chemical approaches. With only about 15-20 min required for the analysis per sample, time demand is significantly reduced compared to often necessary fusion procedures lasting multiple hours. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. A Metabolomic Approach Applied to a Liquid Chromatography Coupled to High-Resolution Tandem Mass Spectrometry Method (HPLC-ESI-HRMS/MS): Towards the Comprehensive Evaluation of the Chemical Composition of Cannabis Medicinal Extracts.

    PubMed

    Citti, Cinzia; Battisti, Umberto Maria; Braghiroli, Daniela; Ciccarella, Giuseppe; Schmid, Martin; Vandelli, Maria Angela; Cannazza, Giuseppe

    2018-03-01

    Cannabis sativa L. is a powerful medicinal plant and its use has recently increased for the treatment of several pathologies. Nonetheless, side effects, like dizziness and hallucinations, and long-term effects concerning memory and cognition, can occur. Most alarming is the lack of a standardised procedure to extract medicinal cannabis. Indeed, each galenical preparation has an unknown chemical composition in terms of cannabinoids and other active principles that depends on the extraction procedure. This study aims to highlight the main differences in the chemical composition of Bediol® extracts when the extraction is carried out with either ethyl alcohol or olive oil for various times (0, 60, 120 and 180 min for ethyl alcohol, and 0, 60, 90 and 120 min for olive oil). Cannabis medicinal extracts (CMEs) were analysed by liquid chromatography coupled to high-resolution tandem mass spectrometry (LC-MS/MS) using an untargeted metabolomics approach. The data sets were processed by unsupervised multivariate analysis. Our results suggested that the main difference lies in the ratio of acid to decarboxylated cannabinoids, which dramatically influences the pharmacological activity of CMEs. Minor cannabinoids, alkaloids, and amino acids contributing to this difference are also discussed. The main cannabinoids were quantified in each extract applying a recently validated LC-MS and LC-UV method. Notwithstanding the use of a standardised starting plant material, great changes are caused by different extraction procedures. The metabolomics approach is a useful tool for the evaluation of the chemical composition of cannabis extracts. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  7. Coupling of multi-walled carbon nanotubes/polydimethylsiloxane coated stir bar sorptive extraction with pulse glow discharge-ion mobility spectrometry for analysis of triazine herbicides in water and soil samples.

    PubMed

    Zou, Nan; Yuan, Chunhao; Liu, Shaowen; Han, Yongtao; Li, Yanjie; Zhang, Jialei; Xu, Xiang; Li, Xuesheng; Pan, Canping

    2016-07-29

    An analytical method based on stir bar sorptive extraction (SBSE) coupled with pulse glow discharge-ion mobility spectrometry (PGD-IMS) was developed for analysis of three triazine pesticide residues in water and soil samples. An injection port with sealing device and stir bars hold device were designed and constructed to directly position the SBSE fiber including the extracted samples into the heating device, making desorption and detection of analytes proceeded simultaneously. The extraction conditions such as SBSE solid phase material, extraction time, extraction temperature, pH value and salt concentration were optimized. Mixture of MWCNTs-COOH and PDMS were shown to be effective in enriching the triazines. The LODs and LOQs of three triazines were found to be 0.006-0.015μgkg(-1) and 0.02-0.05μgkg(-1), and the linear range was 0.05-10μgL(-1) with determination coefficients from 0.9987 to 0.9993. The SBSE-PGD-IMS method was environmentally friendly without organic solvent consumption in the entire experimental procedures, and it was demonstrated to be a commendable rapid analysis technique for analysis of triazine pesticide residues in environmental samples on site. The proposed method was applied for the analysis of real ground water, surface water and soil samples. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. In situ trapping of As, Sb and Se hydrides on nanometer-sized ceria-coated iron oxide-silica and slurry suspension introduction to ICP-OES.

    PubMed

    Dados, A; Kartsiouli, E; Chatzimitakos, Th; Papastephanou, C; Stalikas, C D

    2014-12-01

    A procedure is developed for the analysis of sub-μg L(-1) levels of arsenic, antimony and selenium after preconcentration of their hydrides. The study highlights the capability of an aqueous suspension of a nanometer-sized magnetic ceria, in the presence of iodide, to function as a sorbent for the in situ trapping and preconcentration of the hydrides of certain metalloids. After extraction, the material is magnetically separated from the trapping solution and analyzed. A slurry suspension sampling approach with inductively coupled plasma-optical emission spectrometry (ICP-OES) is employed for measurements, as the quantitative elution of the adsorbed metalloids is not feasible. The whole analytical procedure consists of five steps: (i) pre-reduction of As, Sb and Se, (ii) generation of the hydrides AsH3, SbH3 and SeH2, (iii) in situ collection in the trapping suspension of magnetic ceria, (iv) isolation of the particles by applying a magnetic field, and (v) measurement of As, Sb and Se concentrations using ICP-OES. Under the established experimental conditions, the efficiency of trapping accounted for 94 ± 2%, 89 ± 2% and 98 ± 3% for As, Sb and Se, respectively, signifying the effective implementation of the overall procedure. The applicability of the procedure has been demonstrated by analyzing tap and lake water and a reference material (soft drinking water). The obtained analytical figures of merit were satisfactory for the analysis of the above metalloids in natural waters by ICP-OES. Copyright © 2014 Elsevier B.V. All rights reserved.

  9. Rapid label-free identification of Klebsiella pneumoniae antibiotic resistant strains by the drop-coating deposition surface-enhanced Raman scattering method

    NASA Astrophysics Data System (ADS)

    Cheong, Youjin; Kim, Young Jin; Kang, Heeyoon; Choi, Samjin; Lee, Hee Joo

    2017-08-01

    Although many methodologies have been developed to identify unknown bacteria, bacterial identification in clinical microbiology remains a complex and time-consuming procedure. To address this problem, we developed a label-free method for rapidly identifying clinically relevant multilocus sequencing typing-verified quinolone-resistant Klebsiella pneumoniae strains. We also applied the method to identify three strains from colony samples, ATCC70063 (control), ST11 and ST15; these are the prevalent quinolone-resistant K. pneumoniae strains in East Asia. The colonies were identified using a drop-coating deposition surface-enhanced Raman scattering (DCD-SERS) procedure coupled with a multivariate statistical method. Our workflow exhibited an enhancement factor of 11.3 × 106 to Raman intensities, high reproducibility (relative standard deviation of 7.4%), and a sensitive limit of detection (100 pM rhodamine 6G), with a correlation coefficient of 0.98. All quinolone-resistant K. pneumoniae strains showed similar spectral Raman shifts (high correlations) regardless of bacterial type, as well as different Raman vibrational modes compared to Escherichia coli strains. Our proposed DCD-SERS procedure coupled with the multivariate statistics-based identification method achieved excellent performance in discriminating similar microbes from one another and also in subtyping of K. pneumoniae strains. Therefore, our label-free DCD-SERS procedure coupled with the computational decision supporting method is a potentially useful method for the rapid identification of clinically relevant K. pneumoniae strains.

  10. Virtual Reality simulator for dental anesthesia training in the inferior alveolar nerve block.

    PubMed

    Corrêa, Cléber Gimenez; Machado, Maria Aparecida de Andrade Moreira; Ranzini, Edith; Tori, Romero; Nunes, Fátima de Lourdes Santos

    2017-01-01

    This study shows the development and validation of a dental anesthesia-training simulator, specifically for the inferior alveolar nerve block (IANB). The system developed provides the tactile sensation of inserting a real needle in a human patient, using Virtual Reality (VR) techniques and a haptic device that can provide a perceived force feedback in the needle insertion task during the anesthesia procedure. To simulate a realistic anesthesia procedure, a Carpule syringe was coupled to a haptic device. The Volere method was used to elicit requirements from users in the Dentistry area; Repeated Measures Two-Way ANOVA (Analysis of Variance), Tukey post-hoc test and averages for the results' analysis. A questionnaire-based subjective evaluation method was applied to collect information about the simulator, and 26 people participated in the experiments (12 beginners, 12 at intermediate level, and 2 experts). The questionnaire included profile, preferences (number of viewpoints, texture of the objects, and haptic device handler), as well as visual (appearance, scale, and position of objects) and haptic aspects (motion space, tactile sensation, and motion reproduction). The visual aspect was considered appropriate and the haptic feedback must be improved, which the users can do by calibrating the virtual tissues' resistance. The evaluation of visual aspects was influenced by the participants' experience, according to ANOVA test (F=15.6, p=0.0002, with p<0.01). The user preferences were the simulator with two viewpoints, objects with texture based on images and the device with a syringe coupled to it. The simulation was considered thoroughly satisfactory for the anesthesia training, considering the needle insertion task, which includes the correct insertion point and depth, as well as the perception of tissues resistances during the insertion.

  11. Thermal and Chemical Characterization of Non-Metallic Materials Using Coupled Thermogravimetric Analysis and Infrared Spectroscopy

    NASA Technical Reports Server (NTRS)

    Huff, Timothy L.

    2002-01-01

    Thermogravimetric analysis (TGA) is widely employed in the thermal characterization of non-metallic materials, yielding valuable information on decomposition characteristics of a sample over a wide temperature range. However, a potential wealth of chemical information is lost during the process, with the evolving gases generated during thermal decomposition escaping through the exhaust line. Fourier Transform-Infrared spectroscopy (FT-IR) is a powerful analytical technique for determining many chemical constituents while in any material state, in this application, the gas phase. By linking these two techniques, evolving gases generated during the TGA process are directed into an appropriately equipped infrared spectrometer for chemical speciation. Consequently, both thermal decomposition and chemical characterization of a material may be obtained in a single sample run. In practice, a heated transfer line is employed to connect the two instruments while a purge gas stream directs the evolving gases into the FT-IR. The purge gas can be either high purity air or an inert gas such as nitrogen to allow oxidative and pyrolytic processes to be examined, respectively. The FT-IR data is collected realtime, allowing continuous monitoring of chemical compositional changes over the course of thermal decomposition. Using this coupled technique, an array of diverse materials has been examined, including composites, plastics, rubber, fiberglass epoxy resins, polycarbonates, silicones, lubricants and fluorocarbon materials. The benefit of combining these two methodologies is of particular importance in the aerospace community, where newly developing materials have little available data with which to refer. By providing both thermal and chemical data simultaneously, a more definitive and comprehensive characterization of the material is possible. Additionally, this procedure has been found to be a viable screening technique for certain materials, with the generated data useful in the selection of other appropriate analytical procedures for further material characterization.

  12. Improved sensitivity of ochratoxin A analysis in coffee using high-performance liquid chromatography with hybrid triple quadrupole-linear ion trap mass spectrometry (LC-QqQLIT-MS/MS).

    PubMed

    Kokina, Aija; Pugajeva, Iveta; Bartkevics, Vadims

    2016-01-01

    A novel and sensitive method utilising high-performance liquid chromatography coupled to triple quadrupole-linear ion trap mass spectrometry (LC-QqQLIT-MS/MS) was developed in order to analyse the content of ochratoxin A (OTA) in coffee samples. The introduction of the triple-stage MS scanning mode (MS(3)) has been shown to increase greatly sensitivity and selectivity by eliminating the high chromatographic baseline caused by interference of complex coffee matrices. The analysis included the sample preparation procedure involving extraction of OTA using a methanol-water mixture and clean-up by immunoaffinity columns and detection using the MS(3) scanning mode of LC-QqQLIT-MS/MS. The proposed method offered a good linear correlation (r(2) > 0.998), excellent precision (RSD < 2.9%) and recovery (94%). The limit of quantification (LOQ) for coffee beans and espresso beverages was 0.010 and 0.003 µg kg(-1), respectively. The developed procedure was compared with traditional methods employing liquid chromatography coupled to fluorescent and tandem quadrupole detectors in conjunction with QuEChERS and solid-phase extraction. The proposed method was successfully applied to the determination of OTA in 15 samples of coffee beans and in 15 samples of espresso coffee beverages obtained from the Latvian market. OTA was found in 10 samples of coffee beans and in two samples of espresso in the ranges of 0.018-1.80 µg kg(-1) and 0.020-0.440 µg l(-1), respectively. No samples exceeded the maximum permitted level of OTA in the European Union (5.0 µg kg(-1)).

  13. Residue analysis of four diacylhydrazine insecticides in fruits and vegetables by Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) method using ultra-performance liquid chromatography coupled to tandem mass spectrometry.

    PubMed

    Liu, Xingang; Xu, Jun; Dong, Fengshou; Li, Yuanbo; Song, Wenchen; Zheng, Yongquan

    2011-08-01

    The new analytical method using Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) procedure for simultaneous determination of diacylhydrazine insecticide residues in fruits and vegetables was developed using ultra-performance liquid chromatography coupled with tandem mass spectrometry (UPLC-MS/MS). The four insecticides (tebufenozide, methoxfenozide, chromafenozide, and halofenozide) were extracted from six fruit and vegetable matrices using acetonitrile and subsequently cleaned up using primary secondary amine (PSA) or octadecylsilane (C18) as sorbent prior to UPLC-MS/MS analysis. The determination of the target compounds was achieved in less than 3.0 min using an electrospray ionization source in positive mode (ESI+) for tebufenozide, methoxfenozide, and halofenozide and in negative mode (ESI-) for chromafenozide. The limits of detection were below 0.6 μg kg(-1), while the limit of quantification did not exceed 2 μg kg(-1) in different matrices. The QuEChERS procedure by using two sorbents (PSA and C18) and the matrix-matched standards gave satisfactory recoveries and relative standard deviation (RSD) values in different matrices at four spiked levels (0.01, 0.05, 0.1, and 1 mg kg(-1)). The overall average recoveries for this method in apple, grape, cucumber, tomato, cabbage, and spinach at four levels ranged from 74.2% to 112.5% with RSDs in the range of 1.4-13.8% (n = 5) for all analytes. This study provides a theoretical basis for China to draw up maximum residue limits and analytical method for diacylhydrazine insecticide in vegetables and fruits.

  14. Multidisciplinary Optimization of Tilt Rotor Blades Using Comprehensive Composite Modeling Technique

    NASA Technical Reports Server (NTRS)

    Chattopadhyay, Aditi; McCarthy, Thomas R.; Rajadas, John N.

    1997-01-01

    An optimization procedure is developed for addressing the design of composite tilt rotor blades. A comprehensive technique, based on a higher-order laminate theory, is developed for the analysis of the thick composite load-carrying sections, modeled as box beams, in the blade. The theory, which is based on a refined displacement field, is a three-dimensional model which approximates the elasticity solution so that the beam cross-sectional properties are not reduced to one-dimensional beam parameters. Both inplane and out-of-plane warping are included automatically in the formulation. The model can accurately capture the transverse shear stresses through the thickness of each wall while satisfying stress free boundary conditions on the inner and outer surfaces of the beam. The aerodynamic loads on the blade are calculated using the classical blade element momentum theory. Analytical expressions for the lift and drag are obtained based on the blade planform with corrections for the high lift capability of rotor blades. The aerodynamic analysis is coupled with the structural model to formulate the complete coupled equations of motion for aeroelastic analyses. Finally, a multidisciplinary optimization procedure is developed to improve the aerodynamic, structural and aeroelastic performance of the tilt rotor aircraft. The objective functions include the figure of merit in hover and the high speed cruise propulsive efficiency. Structural, aerodynamic and aeroelastic stability criteria are imposed as constraints on the problem. The Kreisselmeier-Steinhauser function is used to formulate the multiobjective function problem. The search direction is determined by the Broyden-Fletcher-Goldfarb-Shanno algorithm. The optimum results are compared with the baseline values and show significant improvements in the overall performance of the tilt rotor blade.

  15. Procedures in Couple and Family Therapy Documentation: Legal and Risk Management Issues.

    ERIC Educational Resources Information Center

    Gottlieb, Michael C.

    The ethical problems of the therapist who sees couples or families, who are in conflict and who may wind up in legal battles later, are reviewed. Special problems of confidentiality and the therapist's obligations to each and all are discussed. The background of the development of concepts of confidentiality is discussed and applied to the…

  16. Operationally Simple Synthesis of N,N-Diethyl-3-Methylbenzamide (DEET) Using COMU as a Coupling Reagent

    ERIC Educational Resources Information Center

    Withey, Jonathan M.; Bajic, Andrea

    2015-01-01

    A novel procedure is described where students use COMU [(1-cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate], as a nonhazardous partner, in the one-pot coupling of a carboxylic acid and amine producing N,N-diethyl-3-methylbenzamide (DEET). Fundamental principles of carbonyl reactivity are understood,…

  17. Aliphatic Imines in Titanium-Mediated Reductive Cross-Coupling: Unique Reactivity of Ti(Oi-Pr)4/n-BuLi

    PubMed Central

    Tarselli, Michael A.; Micalizio, Glenn C.

    2009-01-01

    A procedure for the coupling of aliphatic imines with allylic and allenic alkoxides is described. The success of these studies was enabled by a unique reactivity profile of Ti(IV) isopropoxide/n-BuLi compared to well-known Ti(IV) isopropoxide/R-MgX systems. PMID:19810765

  18. 49 CFR Appendix D to Part 215 - Pre-departure Inspection Procedure

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD FREIGHT CAR SAFETY STANDARDS Pt. 215, App. D Appendix D to Part 215—Pre-departure Inspection Procedure At each location where a freight car is placed in a train... missing safety appliance. (h) Lading leaking from a placarded hazardous material car. 2. Insecure coupling...

  19. 49 CFR Appendix D to Part 215 - Pre-departure Inspection Procedure

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD FREIGHT CAR SAFETY STANDARDS Pt. 215, App. D Appendix D to Part 215—Pre-departure Inspection Procedure At each location where a freight car is placed in a train... missing safety appliance. (h) Lading leaking from a placarded hazardous material car. 2. Insecure coupling...

  20. 49 CFR Appendix D to Part 215 - Pre-departure Inspection Procedure

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD FREIGHT CAR SAFETY STANDARDS Pt. 215, App. D Appendix D to Part 215—Pre-departure Inspection Procedure At each location where a freight car is placed in a train... missing safety appliance. (h) Lading leaking from a placarded hazardous material car. 2. Insecure coupling...

  1. 49 CFR Appendix D to Part 215 - Pre-departure Inspection Procedure

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD FREIGHT CAR SAFETY STANDARDS Pt. 215, App. D Appendix D to Part 215—Pre-departure Inspection Procedure At each location where a freight car is placed in a train... missing safety appliance. (h) Lading leaking from a placarded hazardous material car. 2. Insecure coupling...

  2. 49 CFR Appendix D to Part 215 - Pre-departure Inspection Procedure

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD FREIGHT CAR SAFETY STANDARDS Pt. 215, App. D Appendix D to Part 215—Pre-departure Inspection Procedure At each location where a freight car is placed in a train... missing safety appliance. (h) Lading leaking from a placarded hazardous material car. 2. Insecure coupling...

  3. Quantitative analysis of flavanones from citrus fruits by using mesoporous molecular sieve-based miniaturized solid phase extraction coupled to ultrahigh-performance liquid chromatography and quadrupole time-of-flight mass spectrometry.

    PubMed

    Cao, Wan; Ye, Li-Hong; Cao, Jun; Xu, Jing-Jing; Peng, Li-Qing; Zhu, Qiong-Yao; Zhang, Qian-Yun; Hu, Shuai-Shuai

    2015-08-07

    An analytical procedure based on miniaturized solid phase extraction (SPE) and ultrahigh-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry was developed and validated for determination of six flavanones in Citrus fruits. The mesoporous molecular sieve SBA-15 as a solid sorbent was characterised by Fourier transform-infrared spectroscopy and scanning electron microscopy. Additionally, compared with reported extraction techniques, the mesoporous SBA-15 based SPE method possessed the advantages of shorter analysis time and higher sensitivity. Furthermore, considering the different nature of the tested compounds, all of the parameters, including the SBA-15 amount, solution pH, elution solvent, and the sorbent type, were investigated in detail. Under the optimum condition, the instrumental detection and quantitation limits calculated were less than 4.26 and 14.29ngmL(-1), respectively. The recoveries obtained for all the analytes were ranging from 89.22% to 103.46%. The experimental results suggested that SBA-15 was a promising material for the purification and enrichment of target flavanones from complex citrus fruit samples. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Analytical and numerical analysis of frictional damage in quasi brittle materials

    NASA Astrophysics Data System (ADS)

    Zhu, Q. Z.; Zhao, L. Y.; Shao, J. F.

    2016-07-01

    Frictional sliding and crack growth are two main dissipation processes in quasi brittle materials. The frictional sliding along closed cracks is the origin of macroscopic plastic deformation while the crack growth induces a material damage. The main difficulty of modeling is to consider the inherent coupling between these two processes. Various models and associated numerical algorithms have been proposed. But there are so far no analytical solutions even for simple loading paths for the validation of such algorithms. In this paper, we first present a micro-mechanical model taking into account the damage-friction coupling for a large class of quasi brittle materials. The model is formulated by combining a linear homogenization procedure with the Mori-Tanaka scheme and the irreversible thermodynamics framework. As an original contribution, a series of analytical solutions of stress-strain relations are developed for various loading paths. Based on the micro-mechanical model, two numerical integration algorithms are exploited. The first one involves a coupled friction/damage correction scheme, which is consistent with the coupling nature of the constitutive model. The second one contains a friction/damage decoupling scheme with two consecutive steps: the friction correction followed by the damage correction. With the analytical solutions as reference results, the two algorithms are assessed through a series of numerical tests. It is found that the decoupling correction scheme is efficient to guarantee a systematic numerical convergence.

  5. Solvent-free, microwave-assisted synthesis of thiophene oligomers via Suzuki coupling.

    PubMed

    Melucci, Manuela; Barbarella, Giovanna; Sotgiu, Giovanna

    2002-12-13

    The purpose of this study was to obtain a rapid, efficient, and environmentally friendly methodology for the synthesis of highly pure thiophene oligomers. The solvent-free, microwave-assisted coupling of thienyl boronic acids and esters with thienyl bromides, using aluminum oxide as the solid support, allowed us to rapidly check the reaction trends on changing times, temperature, catalyst, and base and easily optimize the experimental conditions to obtain the targeted product in fair amounts. This procedure offers a novel, general, and very rapid route to the preparation of soluble thiophene oligomers. Thus, for example, quaterthiophene was obtained in 6 min by reaction of 2-bromo-2,2'-bithiophene with bis(pinacolato)diboron (isolated yield 65%), whereas quinquethiophene was obtained in 11 min by reaction of dibromoterthiophene with thienylboronic acid (isolated yield 74%). The synthesis of new chiral 2,2'-bithiophenes is reported. The detailed analysis of the byproducts of some reactions allowed us to elucidate a few aspects of reaction mechanisms. While the use of microwaves proved to be very convenient for the coupling between conventional thienyl moieties, the same was not true for the coupling of thienyl rings to thienyl-S,S-dioxide moieties. Indeed, in this case, the targeted product was obtained in low yields because of the competitive, accelerated, Diels-Alder reaction that affords a variety of condensation products.

  6. Application of multivariate techniques in the optimization of a procedure for the determination of bioavailable concentrations of Se and As in estuarine sediments by ICP OES using a concomitant metals analyzer as a hydride generator.

    PubMed

    Lopes, Watson da Luz; Santelli, Ricardo Erthal; Oliveira, Eliane Padua; de Carvalho, Maria de Fátima Batista; Bezerra, Marcos Almeida

    2009-10-15

    A procedure has been developed for the determination of bioavailable concentrations of selenium and arsenic in estuarine sediments employing inductively coupled plasma optical emission spectrometry (ICP OES) using a concomitant metals analyzer device to perform hydride generation. The optimization of hydride generation was done in two steps: using a two-level factorial design for preliminary evaluation of studied factors and a Doehlert design to assess the optimal experimental conditions for analysis. Interferences of transition metallic ions (Cd(2+), Co(2+), Cu(2+), Fe(3+) and Ni(2+)) to selenium and arsenic signals were minimized by using higher hydrochloric acid concentrations. In this way, the procedure allowed the determination of selenium and arsenic in sediments with a detection limit of 25 and 30 microg kg(-1), respectively, assuming a 50-fold sample dilution (0.5 g sample extraction to 25 mL sample final volume). The precision, expressed as a relative standard deviation (% RSD, n=10), was 0.2% for both selenium and arsenic in 200 microg L(-1) solutions, which corresponds to 10 microg g(-1) in sediment samples after acid extraction. Applying the proposed procedure, a linear range of 0.08-10 and 0.10-10 microg g(-1) was obtained for selenium and arsenic, respectively. The developed procedure was validated by the analysis of two certified reference materials: industrial sludge (NIST 2782) and river sediment (NIST 8704). The results were in agreement with the certified values. The developed procedure was applied to evaluate the bioavailability of both elements in four sediment certified reference materials, in which there are not certified values for bioavailable fractions, and also in estuarine sediment samples collected in several sites of Guanabara Bay, an impacted environment in Rio de Janeiro, Brazil.

  7. A Thermal and Electrical Analysis of Power Semiconductor Devices

    NASA Technical Reports Server (NTRS)

    Vafai, Kambiz

    1997-01-01

    The state-of-art power semiconductor devices require a thorough understanding of the thermal behavior for these devices. Traditional thermal analysis have (1) failed to account for the thermo-electrical interaction which is significant for power semiconductor devices operating at high temperature, and (2) failed to account for the thermal interactions among all the levels involved in, from the entire device to the gate micro-structure. Furthermore there is a lack of quantitative studies of the thermal breakdown phenomenon which is one of the major failure mechanisms for power electronics. This research work is directed towards addressing. Using a coupled thermal and electrical simulation, in which the drift-diffusion equations for the semiconductor and the energy equation for temperature are solved simultaneously, the thermo-electrical interactions at the micron scale of various junction structures are thoroughly investigated. The optimization of gate structure designs and doping designs is then addressed. An iterative numerical procedure which incorporates the thermal analysis at the device, chip and junction levels of the power device is proposed for the first time and utilized in a BJT power semiconductor device. In this procedure, interactions of different levels are fully considered. The thermal stability issue is studied both analytically and numerically in this research work in order to understand the mechanism for thermal breakdown.

  8. 2D-electrophoresis and the urine proteome map: where do we stand?

    PubMed

    Candiano, Giovanni; Santucci, Laura; Petretto, Andrea; Bruschi, Maurizio; Dimuccio, Veronica; Urbani, Andrea; Bagnasco, Serena; Ghiggeri, Gian Marco

    2010-03-10

    The discovery of urinary biomarkers is a main topic in clinical medicine. The development of proteomics has rapidly changed the knowledge on urine protein composition and probably will modify it again. Two-dimensional electrophoresis (2D-PAGE) coupled with mass spectrometry has represented for years the technique of choice for the analysis of urine proteins and it is time to draw some conclusions. This review will focus on major methodological aspects related to urine sample collection, storage and analysis by 2D-PAGE and attempt to define an advanced normal urine protein map. Overall, 1118 spots were reproducibly found in normal urine samples but only 275 were characterized as isoforms of 82 proteins. One-hundred height spots belonging to 30 proteins were also detected in plasma and corresponded to typical plasma components. The identity of most of the proteins found in normal urine by 2D-PAGE remains to be determined, the majority being low-molecular weight proteins (<30 kDa). Equalization procedures would also enhance sensitivity of the analysis and allow low abundance proteins to be characterized. Therefore, we are still on the way to define the normal urine composition. Technology advancements in concentrating procedure will improve sensitivity and give the possibility to purify proteins for mass spectrometry. Copyright (c) 2009 Elsevier B.V. All rights reserved.

  9. Adaptation of Laser Microdissection Technique for the Study of a Spontaneous Metastatic Mammary Carcinoma Mouse Model by NanoString Technologies

    PubMed Central

    Saylor, Karen L.; Anver, Miriam R.; Salomon, David S.; Golubeva, Yelena G.

    2016-01-01

    Laser capture microdissection (LCM) of tissue is an established tool in medical research for collection of distinguished cell populations under direct microscopic visualization for molecular analysis. LCM samples have been successfully analyzed in a number of genomic and proteomic downstream molecular applications. However, LCM sample collection and preparation procedure has to be adapted to each downstream analysis platform. In this present manuscript we describe in detail the adaptation of LCM methodology for the collection and preparation of fresh frozen samples for NanoString analysis based on a study of a model of mouse mammary gland carcinoma and its lung metastasis. Our adaptation of LCM sample preparation and workflow to the requirements of the NanoString platform allowed acquiring samples with high RNA quality. The NanoString analysis of such samples provided sensitive detection of genes of interest and their associated molecular pathways. NanoString is a reliable gene expression analysis platform that can be effectively coupled with LCM. PMID:27077656

  10. Single-cell analysis by ICP-MS/MS as a fast tool for cellular bioavailability studies of arsenite.

    PubMed

    Meyer, S; López-Serrano, A; Mitze, H; Jakubowski, N; Schwerdtle, T

    2018-01-24

    Single-cell inductively coupled plasma mass spectrometry (SC-ICP-MS) has become a powerful and fast tool to evaluate the elemental composition at a single-cell level. In this study, the cellular bioavailability of arsenite (incubation of 25 and 50 μM for 0-48 h) has been successfully assessed by SC-ICP-MS/MS for the first time directly after re-suspending the cells in water. This procedure avoids the normally arising cell membrane permeabilization caused by cell fixation methods (e.g. methanol fixation). The reliability and feasibility of this SC-ICP-MS/MS approach with a limit of detection of 0.35 fg per cell was validated by conventional bulk ICP-MS/MS analysis after cell digestion and parallel measurement of sulfur and phosphorus.

  11. Human errors and measurement uncertainty

    NASA Astrophysics Data System (ADS)

    Kuselman, Ilya; Pennecchi, Francesca

    2015-04-01

    Evaluating the residual risk of human errors in a measurement and testing laboratory, remaining after the error reduction by the laboratory quality system, and quantifying the consequences of this risk for the quality of the measurement/test results are discussed based on expert judgments and Monte Carlo simulations. A procedure for evaluation of the contribution of the residual risk to the measurement uncertainty budget is proposed. Examples are provided using earlier published sets of expert judgments on human errors in pH measurement of groundwater, elemental analysis of geological samples by inductively coupled plasma mass spectrometry, and multi-residue analysis of pesticides in fruits and vegetables. The human error contribution to the measurement uncertainty budget in the examples was not negligible, yet also not dominant. This was assessed as a good risk management result.

  12. Methods for parameter identification in oscillatory networks and application to cortical and thalamic 600 Hz activity.

    PubMed

    Leistritz, L; Suesse, T; Haueisen, J; Hilgenfeld, B; Witte, H

    2006-01-01

    Directed information transfer in the human brain occurs presumably by oscillations. As of yet, most approaches for the analysis of these oscillations are based on time-frequency or coherence analysis. The present work concerns the modeling of cortical 600 Hz oscillations, localized within the Brodmann Areas 3b and 1 after stimulation of the nervus medianus, by means of coupled differential equations. This approach leads to the so-called parameter identification problem, where based on a given data set, a set of unknown parameters of a system of ordinary differential equations is determined by special optimization procedures. Some suitable algorithms for this task are presented in this paper. Finally an oscillatory network model is optimally fitted to the data taken from ten volunteers.

  13. A method for the design of transonic flexible wings

    NASA Technical Reports Server (NTRS)

    Smith, Leigh Ann; Campbell, Richard L.

    1990-01-01

    Methodology was developed for designing airfoils and wings at transonic speeds which includes a technique that can account for static aeroelastic deflections. This procedure is capable of designing either supercritical or more conventional airfoil sections. Methods for including viscous effects are also illustrated and are shown to give accurate results. The methodology developed is an interactive system containing three major parts. A design module was developed which modifies airfoil sections to achieve a desired pressure distribution. This design module works in conjunction with an aerodynamic analysis module, which for this study is a small perturbation transonic flow code. Additionally, an aeroelastic module is included which determines the wing deformation due to the calculated aerodynamic loads. Because of the modular nature of the method, it can be easily coupled with any aerodynamic analysis code.

  14. Proton-Ionizable Crown Ethers. A Short Review

    DTIC Science & Technology

    1989-05-30

    acid methyl ester using sodium hydride as the base in tetrahydrofuran. The m3thyl ester group was hydrolyzed to the carboxylic acid as shown in Procedure...prepared via the appropriate hydroxydibenzo-crown ether and allyl bromide RýIý R2 or ethyl acrylate as shown in Procedure N. 5 2 . 5 6 Disulfonic acid ...similar to Procedure p. 7 4 Once the precursor binrephtho-crown was obtained, it was coupled with bromoacetic acid methyl ester and R, , - R

  15. Subfertility factors rather than assisted conception factors affect cognitive and behavioural development of 4-year-old singletons.

    PubMed

    Schendelaar, Pamela; La Bastide-Van Gemert, Sacha; Heineman, Maas Jan; Middelburg, Karin J; Seggers, Jorien; Van den Heuvel, Edwin R; Hadders-Algra, Mijna

    2016-12-01

    Research on cognitive and behavioural development of children born after assisted conception is inconsistent. This prospective study aimed to explore underlying causal relationships between ovarian stimulation, in-vitro procedures, subfertility components and child cognition and behaviour. Participants were singletons born to subfertile couples after ovarian stimulation IVF (n = 63), modified natural cycle IVF (n = 53), natural conception (n = 79) and singletons born to fertile couples (reference group) (n = 98). At 4 years, cognition (Kaufmann-ABC-II; total IQ) and behaviour (Child Behavior Checklist; total problem T-score) were assessed. Causal inference search algorithms and structural equation modelling was applied to unravel causal mechanisms. Most children had typical cognitive and behavioural scores. No underlying causal effect was found between ovarian stimulation and the in-vitro procedure and outcome. Direct negative causal effects were found between severity of subfertility (time to pregnancy) and cognition and presence of subfertility and behaviour. Maternal age and maternal education acted as confounders. The study concludes that no causal effects were found between ovarian stimulation or in-vitro procedures and cognition and behaviour in childrenaged 4 years born to subfertile couples. Subfertility, especially severe subfertility, however, was associated with worse cognition and behaviour. Copyright © 2016 Reproductive Healthcare Ltd. Published by Elsevier Ltd. All rights reserved.

  16. Recursive thoughts on the simulation of the flexible multibody dynamics of slender offshore structures

    NASA Astrophysics Data System (ADS)

    Schilder, J.; Ellenbroek, M.; de Boer, A.

    2017-12-01

    In this work, the floating frame of reference formulation is used to create a flexible multibody model of slender offshore structures such as pipelines and risers. It is shown that due to the chain-like topology of the considered structures, the equation of motion can be expressed in terms of absolute interface coordinates. In the presented form, kinematic constraint equations are satisfied explicitly and the Lagrange multipliers are eliminated from the equations. Hence, the structures can be conveniently coupled to finite element or multibody models of for example seabed and vessel. The chain-like topology enables the efficient use of recursive solution procedures for both transient dynamic analysis and equilibrium analysis. For this, the transfer matrix method is used. In order to improve the convergence of the equilibrium analysis, the analytical solution of an ideal catenary is used as an initial configuration, reducing the number of required iterations.

  17. Dynamic Analysis of Geared Rotors by Finite Elements

    NASA Technical Reports Server (NTRS)

    Kahraman, A.; Ozguven, H. Nevzat; Houser, D. R.; Zakrajsek, J. J.

    1992-01-01

    A finite element model of a geared rotor system on flexible bearings has been developed. The model includes the rotary inertia of on shaft elements, the axial loading on shafts, flexibility and damping of bearings, material damping of shafts and the stiffness and the damping of gear mesh. The coupling between the torsional and transverse vibrations of gears were considered in the model. A constant mesh stiffness was assumed. The analysis procedure can be used for forced vibration analysis geared rotors by calculating the critical speeds and determining the response of any point on the shafts to mass unbalances, geometric eccentricities of gears, and displacement transmission error excitation at the mesh point. The dynamic mesh forces due to these excitations can also be calculated. The model has been applied to several systems for the demonstration of its accuracy and for studying the effect of bearing compliances on system dynamics.

  18. Quantum controlled-Z gate for weakly interacting qubits

    NASA Astrophysics Data System (ADS)

    Mičuda, Michal; Stárek, Robert; Straka, Ivo; Miková, Martina; Dušek, Miloslav; Ježek, Miroslav; Filip, Radim; Fiurášek, Jaromír

    2015-08-01

    We propose and experimentally demonstrate a scheme for the implementation of a maximally entangling quantum controlled-Z gate between two weakly interacting systems. We conditionally enhance the interqubit coupling by quantum interference. Both before and after the interqubit interaction, one of the qubits is coherently coupled to an auxiliary quantum system, and finally it is projected back onto qubit subspace. We experimentally verify the practical feasibility of this technique by using a linear optical setup with weak interferometric coupling between single-photon qubits. Our procedure is universally applicable to a wide range of physical platforms including hybrid systems such as atomic clouds or optomechanical oscillators coupled to light.

  19. Important role of projectile excitation in 16O+60Ni and 16O+27Al scattering at intermediate energies

    NASA Astrophysics Data System (ADS)

    Zagatto, V. A. B.; Cappuzzello, F.; Lubian, J.; Cavallaro, M.; Linares, R.; Carbone, D.; Agodi, C.; Foti, A.; Tudisco, S.; Wang, J. S.; Oliveira, J. R. B.; Hussein, M. S.

    2018-05-01

    The elastic scattering angular distribution of the 16O+60Ni system at 260 MeV was measured in the range of the Rutherford cross section down to seven orders of magnitude. The cross sections of the lowest 2+ and 3- inelastic states of the target were also measured over several orders of magnitude. Coupled-channel (CC) calculations were performed and are shown to be compatible with the whole set of data only when including the excitation of the projectile and when the deformations of the imaginary part of the nuclear optical potential are taken into account. Similar results were obtained when the procedure is applied to the existing data on 16O+27Al elastic and inelastic scattering at 100 and 280 MeV. An analysis in terms of dynamical polarization potentials (DPP) indicates the major role of coupled-channel effects in the overlapping surface region of the colliding nuclei.

  20. Comparison method for uranium determination in ore sample by inductively coupled plasma optical emission spectrometry (ICP-OES).

    PubMed

    Sert, Şenol

    2013-07-01

    A comparison method for the determination (without sample pre-concentration) of uranium in ore by inductively coupled plasma optical emission spectrometry (ICP-OES) has been performed. The experiments were conducted using three procedures: matrix matching, plasma optimization, and internal standardization for three emission lines of uranium. Three wavelengths of Sm were tested as internal standard for the internal standardization method. The robust conditions were evaluated using applied radiofrequency power, nebulizer argon gas flow rate, and sample uptake flow rate by considering the intensity ratio of the Mg(II) 280.270 nm and Mg(I) 285.213 nm lines. Analytical characterization of method was assessed by limit of detection and relative standard deviation values. The certificated reference soil sample IAEA S-8 was analyzed, and the uranium determination at 367.007 nm with internal standardization using Sm at 359.260 nm has been shown to improve accuracy compared with other methods. The developed method was used for real uranium ore sample analysis.

  1. The application of headspace gas chromatography coupled to tandem quadrupole mass spectrometry for the analysis of furan in baby food samples.

    PubMed

    Pugajeva, Iveta; Rozentale, Irina; Viksna, Arturs; Bartkiene, Elena; Bartkevics, Vadims

    2016-12-01

    Selective methodology employing a tandem quadrupole mass spectrometer coupled to a gas chromatograph with headspace autosampler (HS-GC-MS/MS) was elaborated in this study. Application of the elaborated procedure resulted in a limit of detection of 0.021μgkg(-1) and a limit of quantification of 0.071μgkg(-1). The mean recoveries during in-house validation ranged from 89% to 109%, and coefficients of variation for repeatability ranged from 4% to 11%. The proposed analytical method was applied for monitoring the furan content of 30 commercial baby food samples available on the Latvian retail market. The level of furan found in these samples varied from 0.45 to 81.9μgkg(-1), indicating that infants whose sole diet comprises baby food sold in jars and cans are exposed constantly to furan. Samples containing vegetables and meat had higher levels of furan than those containing only fruits. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Identification of diazotrophic microorganisms in marine sediment via fluorescence in situ hybridization coupled to nanoscale secondary ion mass spectrometry (FISH-NanoSIMS).

    PubMed

    Dekas, Anne E; Orphan, Victoria J

    2011-01-01

    Growing appreciation for the biogeochemical significance of uncultured microorganisms is changing the focus of environmental microbiology. Techniques designed to investigate microbial metabolism in situ are increasingly popular, from mRNA-targeted fluorescence in situ hybridization (FISH) to the "-omics" revolution, including metagenomics, transcriptomics, and proteomics. Recently, the coupling of FISH with nanometer-scale secondary ion mass spectrometry (NanoSIMS) has taken this movement in a new direction, allowing single-cell metabolic analysis of uncultured microbial phylogenic groups. The main advantage of FISH-NanoSIMS over previous noncultivation-based techniques to probe metabolism is its ability to directly link 16S rRNA phylogenetic identity to metabolic function. In the following chapter, we describe the procedures necessary to identify nitrogen-fixing microbes within marine sediment via FISH-NanoSIMS, using our work on nitrogen fixation by uncultured deep-sea methane-consuming archaea as a case study. Copyright © 2011 Elsevier Inc. All rights reserved.

  3. Improvements on high-precision measurement of bromine isotope ratios by multicollector inductively coupled plasma mass spectrometry.

    PubMed

    Wei, Hai-Zhen; Jiang, Shao-Yong; Zhu, Zhi-Yong; Yang, Tao; Yang, Jing-Hong; Yan, Xiong; Wu, He-Pin; Yang, Tang-Li

    2015-10-01

    A new, feasible procedure for high-precision bromine isotope analysis using multicollector inductively coupled plasma mass spectrometry (MC-ICP-MS) is described. With a combination of HR mass resolution mode and accurate optimization of the Zoom Optics parameters (Focus Quad: -1.30; Zoom Quad: 0.00), the challenging problem of the isobaric interferences ((40)Ar(38)ArH(+) and (40)Ar(40)ArH(+)) in the measurement of bromine isotopes ((79)Br(+), (81)Br(+)) has been effectively solved. The external reproducibility of the measured (81)Br/(79)Br ratios in the selected standard reference materials ranged from ±0.03‰ to ±0.14‰, which is superior to or equivalent to the best results from previous contributions. The effect of counter cations on the Br(+) signal intensity and the instrumental-induced mass bias was evaluated as the loss of HBr aerosol in nebulizer and potential diffusive isotope fractionations. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Efficient preparation of terminal conjugated dienes by coupling of dienol phosphates with grignard reagents under iron catalysis.

    PubMed

    Cahiez, Gérard; Habiak, Vanessa; Gager, Olivier

    2008-06-19

    An efficient new route to prepare stereoselectively terminal conjugated dienes by coupling Grignard reagents and dienol phosphates in the presence of Fe(acac)3 is described. The synthetic utility of this new iron-catalyzed procedure is illustrated by the synthesis of the pheromone of Diparopsis castanea according to a very expeditious strategy.

  5. All-optical measurement of interlayer exchange coupling in Fe/Pt/FePt thin films

    NASA Astrophysics Data System (ADS)

    Berk, C.; Ganss, F.; Jaris, M.; Albrecht, M.; Schmidt, H.

    2018-01-01

    Time Resolved Magneto Optic Kerr Effect spectroscopy was used to all-optically study the dynamics in exchange coupled Fe(10 nm)/Pt(x = 0-5 nm)/FePt (10 nm) thin films. As the Pt spacer decreases, the effective magnetization of the layers is seen to evolve towards the strong coupling limit where the two films can be described by a single effective magnetization. The coupling begins at x = 1.5 nm and reaches a maximum exchange coupling constant of 2.89 erg/cm2 at x = 0 nm. The films are ferromagnetically coupled at all Pt thicknesses in the exchange coupled regime (x ≤ 1.5 nm). A procedure for extracting the interlayer exchange constant by measuring the magnetic precession frequencies at multiple applied fields and angles is outlined. The dynamics are well reproduced using micromagnetic simulations.

  6. Growth-coupled overproduction is feasible for almost all metabolites in five major production organisms

    NASA Astrophysics Data System (ADS)

    von Kamp, Axel; Klamt, Steffen

    2017-06-01

    Computational modelling of metabolic networks has become an established procedure in the metabolic engineering of production strains. One key principle that is frequently used to guide the rational design of microbial cell factories is the stoichiometric coupling of growth and product synthesis, which makes production of the desired compound obligatory for growth. Here we show that the coupling of growth and production is feasible under appropriate conditions for almost all metabolites in genome-scale metabolic models of five major production organisms. These organisms comprise eukaryotes and prokaryotes as well as heterotrophic and photoautotrophic organisms, which shows that growth coupling as a strain design principle has a wide applicability. The feasibility of coupling is proven by calculating appropriate reaction knockouts, which enforce the coupling behaviour. The study presented here is the most comprehensive computational investigation of growth-coupled production so far and its results are of fundamental importance for rational metabolic engineering.

  7. Four possible types of pulses for self-induced transparency

    NASA Technical Reports Server (NTRS)

    Lee, C. T.

    1974-01-01

    Four types of steady-state solutions were derived for the coupled Maxwell-Bloch equations which describe highly intense pulse propagation in a resonant medium. Essential in the derivation procedures is the replacement of the usual slowly varying envelope approximation with an alternative procedure, the omission of possible nonresonant losses, and the assumption that the relaxation times are infinite.

  8. Numerical Modeling of Unsteady Thermofluid Dynamics in Cryogenic Systems

    NASA Technical Reports Server (NTRS)

    Majumdar, Alok

    2003-01-01

    A finite volume based network analysis procedure has been applied to model unsteady flow without and with heat transfer. Liquid has been modeled as compressible fluid where the compressibility factor is computed from the equation of state for a real fluid. The modeling approach recognizes that the pressure oscillation is linked with the variation of the compressibility factor; therefore, the speed of sound does not explicitly appear in the governing equations. The numerical results of chilldown process also suggest that the flow and heat transfer are strongly coupled. This is evident by observing that the mass flow rate during 90-second chilldown process increases by factor of ten.

  9. Plasma cleaning and analysis of archeological artefacts from Sipán

    NASA Astrophysics Data System (ADS)

    Saettone, E. A. O.; da Matta, J. A. S.; Alva, W.; Chubaci, J. F. O.; Fantini, M. C. A.; Galvão, R. M. O.; Kiyohara, P.; Tabacniks, M. H.

    2003-04-01

    A novel procedure using plasma sputtering in an electron-cyclotron-resonance device has been applied to clean archeological MOCHE artefacts, unearthed at the Royal Tombs of Sipán. After successful cleaning, the pieces were analysed by a variety of complementary techniques, namely proton-induced x-ray emission, Rutherford backscattering spectroscopy, x-ray diffraction, electron microscopy, and inductively coupled plasma mass spectroscopy. With these techniques, it has been possible to not only determine the profiles of the gold and silver surface layers, but also to detect elements that may be relevant to explain the gilding techniques skillfully developed by the metal smiths of the MOCHE culture.

  10. Computational fluid dynamics applications at McDonnel Douglas

    NASA Technical Reports Server (NTRS)

    Hakkinen, R. J.

    1987-01-01

    Representative examples are presented of applications and development of advanced Computational Fluid Dynamics (CFD) codes for aerodynamic design at the McDonnell Douglas Corporation (MDC). Transonic potential and Euler codes, interactively coupled with boundary layer computation, and solutions of slender-layer Navier-Stokes approximation are applied to aircraft wing/body calculations. An optimization procedure using evolution theory is described in the context of transonic wing design. Euler methods are presented for analysis of hypersonic configurations, and helicopter rotors in hover and forward flight. Several of these projects were accepted for access to the Numerical Aerodynamic Simulation (NAS) facility at the NASA-Ames Research Center.

  11. Rapid and simple determination of selenium in blood serum by inductively coupled plasma-mass spectrometry (ICP-MS).

    PubMed

    Labat, L; Dehon, B; Lhermitte, M

    2003-05-01

    An inductively coupled plasma mass spectrometer (ICP-MS) with a rapid sample-preparative procedure was used for the determination of selenium in blood serum. Blood serum was prepared by dilution in an acidic solution consisting of nitric acid (1%), X-triton (0.1%) and 1-butanol (0.8%). A calibration curve was established for 1-40 microg mL(-1) (r(2)>0.99). The limit of detection was 0.5 microg mL(-1). Repeatability and intermediate precision were satisfactory with relative standard deviations (RSD) of 2.0% and 3.2%, respectively. This method was easily applied to reference materials with satisfactory accuracy. Good correlation (r(2)=0.96) was observed between ICP-MS and atomic absorption spectrometry (AAS) for the determination of (82)Se in blood serum from 23 patients. These results suggest that the sample preparative procedure coupled with ICP-MS can be used for the routine determination of (82)Se in human blood serum.

  12. Electromagnetic scattering from a class of open-ended waveguide discontinuities

    NASA Technical Reports Server (NTRS)

    Altintas, A.; Pathak, P. H.; Burnside, Walter D.

    1986-01-01

    A relatively simple high frequency analysis of electromagnetic scattering from a class of open-ended waveguide discontinuites was developed. The waveguides are composed of perfectly-conducting sections in which the electromagnetic field can be written as the sum of waveguide modes. Junctions are formed at the open end and also within interior regions where different sections are joined. The reflection and transmission properties of each junction are described in terms of a scattering matrix which is determined by combining the modal ray picture with high frequency techniques such as the Geometrical Theory of Diffraction (GTD), the Equivalent Current Method (ECM), and modifications of the Physical Theory of Diffraction (PTD). A new set of equivalent circuits are employed in this ECM analysis which leads to a simple treatment of many types of junction discontinuities. Also, a new procedure is presented to improve the efficiency of the aperture integration at the open end which is required in the PTD procedure for finding the fields radiated from (or coupled to) the open end. Once the scattering matrices are determined, they are then combined using a self-consistent multiple scattering method to obtain the total scattered fields.

  13. PROTEUS two-dimensional Navier-Stokes computer code, version 1.0. Volume 1: Analysis description

    NASA Technical Reports Server (NTRS)

    Towne, Charles E.; Schwab, John R.; Benson, Thomas J.; Suresh, Ambady

    1990-01-01

    A new computer code was developed to solve the two-dimensional or axisymmetric, Reynolds averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The thin-layer or Euler equations may also be solved. Turbulence is modeled using an algebraic eddy viscosity model. The objective was to develop a code for aerospace applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The equations are written in nonorthogonal body-fitted coordinates, and solved by marching in time using a fully-coupled alternating direction-implicit procedure with generalized first- or second-order time differencing. All terms are linearized using second-order Taylor series. The boundary conditions are treated implicitly, and may be steady, unsteady, or spatially periodic. Simple Cartesian or polar grids may be generated internally by the program. More complex geometries require an externally generated computational coordinate system. The documentation is divided into three volumes. Volume 1 is the Analysis Description, and describes in detail the governing equations, the turbulence model, the linearization of the equations and boundary conditions, the time and space differencing formulas, the ADI solution procedure, and the artificial viscosity models.

  14. Exogenous contamination of uranium in human scalp hair.

    PubMed

    Muikku, Maarit; Heikkinen, Tarja

    2012-06-01

    The use of human scalp hair as a bioindicator of occupational or environmental exposure has been the subject of some debate over the years. One problem is how to distinguish internal contamination from external contamination. In this study, possibility that elevated levels of natural uranium in human hair are partly due to the exogenously bound uranium from uranium-rich household water was tested. Hair samples from six adult volunteers were cut and then exposed externally to uranium by using washing water with highly elevated levels of natural uranium. After that, and before making the analysis using inductively coupled plasma mass spectrometry (ICP-MS), the samples were washed using two commonly used washing procedures in order to remove external contamination. No quantitative information was gained in the tests, but it was shown that the use of uranium-rich water when washing hair affects the uranium concentration in hair. Although the samples were cleaned according to widely used washing procedures before the analysis, the uranium concentrations in hair were about three orders of magnitude higher after the tests. The possibility of external contamination should be kept in mind, especially when considering hair as an excretion pathway for estimating internal dose.

  15. Effect of biquadratic coupling on current induced magnetization switching in Co/Cu/Ni-Fe nanopillar

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

    Aravinthan, D.; Daniel, M., E-mail: danielcnld@gmail.com; Sabareesan, P.

    2016-05-23

    The effect of biquadratic coupling on spin current induced magnetization switching in a Co/Cu/Ni-Fe nanopillar device is investigated by solving the free layer magnetization switching dynamics governed by the Landau-Lifshitz-Gilbert-Slonczewski (LLGS) equation. The LLGS equation is numerically solved by using Runge-Kutta fourth order procedure for an applied current density of 5 × 10{sup 12} Am{sup -2}. Presence of biquadratic coupling in the ferromagnetic layers reduces the magnetization switching time of the nanopillar device from 61 ps to 49 ps.

  16. CuO nanoparticles catalyzed C-N, C-O, and C-S cross-coupling reactions: scope and mechanism.

    PubMed

    Jammi, Suribabu; Sakthivel, Sekarpandi; Rout, Laxmidhar; Mukherjee, Tathagata; Mandal, Santu; Mitra, Raja; Saha, Prasenjit; Punniyamurthy, Tharmalingam

    2009-03-06

    CuO nanoparticles have been studied for C-N, C-O, and C-S bond formations via cross-coupling reactions of nitrogen, oxygen, and sulfur nucleophiles with aryl halides. Amides, amines, imidazoles, phenols, alcohols and thiols undergo reactions with aryl iodides in the presence of a base such as KOH, Cs(2)CO(3), and K(2)CO(3) at moderate temperature. The procedure is simple, general, ligand-free, and efficient to afford the cross-coupled products in high yield.

  17. Incorporation of ice sheet models into an Earth system model: Focus on methodology of coupling

    NASA Astrophysics Data System (ADS)

    Rybak, Oleg; Volodin, Evgeny; Morozova, Polina; Nevecherja, Artiom

    2018-03-01

    Elaboration of a modern Earth system model (ESM) requires incorporation of ice sheet dynamics. Coupling of an ice sheet model (ICM) to an AOGCM is complicated by essential differences in spatial and temporal scales of cryospheric, atmospheric and oceanic components. To overcome this difficulty, we apply two different approaches for the incorporation of ice sheets into an ESM. Coupling of the Antarctic ice sheet model (AISM) to the AOGCM is accomplished via using procedures of resampling, interpolation and assigning to the AISM grid points annually averaged meanings of air surface temperature and precipitation fields generated by the AOGCM. Surface melting, which takes place mainly on the margins of the Antarctic peninsula and on ice shelves fringing the continent, is currently ignored. AISM returns anomalies of surface topography back to the AOGCM. To couple the Greenland ice sheet model (GrISM) to the AOGCM, we use a simple buffer energy- and water-balance model (EWBM-G) to account for orographically-driven precipitation and other sub-grid AOGCM-generated quantities. The output of the EWBM-G consists of surface mass balance and air surface temperature to force the GrISM, and freshwater run-off to force thermohaline circulation in the oceanic block of the AOGCM. Because of a rather complex coupling procedure of GrIS compared to AIS, the paper mostly focuses on Greenland.

  18. Recognition of beer brand based on multivariate analysis of volatile fingerprint.

    PubMed

    Cajka, Tomas; Riddellova, Katerina; Tomaniova, Monika; Hajslova, Jana

    2010-06-18

    Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models "Trappist vs. non-Trappist beers" with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and "Rochefort 8 vs. the rest" with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach. Copyright (c) 2010 Elsevier B.V. All rights reserved.

  19. Speciation analysis of mercury by solid-phase microextraction and multicapillary gas chromatography hyphenated to inductively coupled plasma-time-of-flight-mass spectrometry.

    PubMed

    Jitaru, Petru; Adams, Freddy C

    2004-11-05

    This paper reports the development of an analytical approach for speciation analysis of mercury at ultra-trace levels on the basis of solid-phase microextraction and multicapillary gas chromatography hyphenated to inductively coupled plasma-time-of-flight mass spectrometry. Headspace solid-phase microextraction with a carboxen/polydimethylsyloxane fiber is used for extraction/preconcentration of mercury species after derivatization with sodium tetraethylborate and subsequent volatilization. Isothermal separation of methylmercury (MeHg), inorganic mercury (Hg2+) and propylmercury (PrHg) used as internal standard is achieved within a chromatographic run below 45 s without the introduction of spectral skew. Method detection limits (3 x standard deviation criteria) calculated for 10 successive injections of the analytical reagent blank are 0.027 pg g(-1) (as metal) for MeHg and 0.27 pg g(-1) for Hg2+. The repeatability (R.S.D., %) is 3.3% for MeHg and 3.8% for Hg2+ for 10 successive injections of a standard mixture of 10pg. The method accuracy for MeHg and total mercury is validated through the analysis of marine and estuarine sediment reference materials. A comparison of the sediment data with those obtained by a purge-and-trap injection (PTI) method is also addressed. The analytical procedure is illustrated with some results for the ultra-trace level analysis of ice from Antarctica for which the accuracy is assessed by spike recovery experiments.

  20. Rapid quantification of underivatized amino acids in plasma by hydrophilic interaction liquid chromatography (HILIC) coupled with tandem mass-spectrometry.

    PubMed

    Prinsen, Hubertus C M T; Schiebergen-Bronkhorst, B G M; Roeleveld, M W; Jans, J J M; de Sain-van der Velden, M G M; Visser, G; van Hasselt, P M; Verhoeven-Duif, N M

    2016-09-01

    Amino acidopathies are a class of inborn errors of metabolism (IEM) that can be diagnosed by analysis of amino acids (AA) in plasma. Current strategies for AA analysis include cation exchange HPLC with post-column ninhydrin derivatization, GC-MS, and LC-MS/MS-related methods. Major drawbacks of the current methods are time-consuming procedures, derivative problems, problems with retention, and MS-sensitivity. The use of hydrophilic interaction liquid chromatography (HILIC) columns is an ideal separation mode for hydrophilic compounds like AA. Here we report a HILIC-method for analysis of 36 underivatized AA in plasma to detect defects in AA metabolism that overcomes the major drawbacks of other methods. A rapid, sensitive, and specific method was developed for the analysis of AA in plasma without derivatization using HILIC coupled with tandem mass-spectrometry (Xevo TQ, Waters). Excellent separation of 36 AA (24 quantitative/12 qualitative) in plasma was achieved on an Acquity BEH Amide column (2.1×100 mm, 1.7 μm) in a single MS run of 18 min. Plasma of patients with a known IEM in AA metabolism was analyzed and all patients were correctly identified. The reported method analyzes 36 AA in plasma within 18 min and provides baseline separation of isomeric AA such as leucine and isoleucine. No separation was obtained for isoleucine and allo-isoleucine. The method is applicable to study defects in AA metabolism in plasma.

  1. Geospatial mapping of Antarctic coastal oasis using geographic object-based image analysis and high resolution satellite imagery

    NASA Astrophysics Data System (ADS)

    Jawak, Shridhar D.; Luis, Alvarinho J.

    2016-04-01

    An accurate spatial mapping and characterization of land cover features in cryospheric regions is an essential procedure for many geoscientific studies. A novel semi-automated method was devised by coupling spectral index ratios (SIRs) and geographic object-based image analysis (OBIA) to extract cryospheric geospatial information from very high resolution WorldView 2 (WV-2) satellite imagery. The present study addresses development of multiple rule sets for OBIA-based classification of WV-2 imagery to accurately extract land cover features in the Larsemann Hills, east Antarctica. Multilevel segmentation process was applied to WV-2 image to generate different sizes of geographic image objects corresponding to various land cover features with respect to scale parameter. Several SIRs were applied to geographic objects at different segmentation levels to classify land mass, man-made features, snow/ice, and water bodies. We focus on water body class to identify water areas at the image level, considering their uneven appearance on landmass and ice. The results illustrated that synergetic usage of SIRs and OBIA can provide accurate means to identify land cover classes with an overall classification accuracy of ≍97%. In conclusion, our results suggest that OBIA is a powerful tool for carrying out automatic and semiautomatic analysis for most cryospheric remote-sensing applications, and the synergetic coupling with pixel-based SIRs is found to be a superior method for mining geospatial information.

  2. Analysis of atmospheric pollutant metals by laser ablation inductively coupled plasma mass spectrometry with a radial line-scan dried-droplet approach

    NASA Astrophysics Data System (ADS)

    Tang, Xiaoxing; Qian, Yuan; Guo, Yanchuan; Wei, Nannan; Li, Yulan; Yao, Jian; Wang, Guanghua; Ma, Jifei; Liu, Wei

    2017-12-01

    A novel method has been improved for analyzing atmospheric pollutant metals (Be, Mn, Fe, Co, Ni, Cu, Zn, Se, Sr, Cd, and Pb) by laser ablation inductively coupled plasma mass spectrometry. In this method, solid standards are prepared by depositing droplets of aqueous standard solutions on the surface of a membrane filter, which is the same type as used for collecting atmospheric pollutant metals. Laser parameters were optimized, and ablation behaviors of the filter discs were studied. The mode of radial line scans across the filter disc was a representative ablation strategy and can avoid error from the inhomogeneous filter standards and marginal effect of the filter disc. Pt, as the internal standard, greatly improved the correlation coefficient of the calibration curve. The developed method provides low detection limits, from 0.01 ng m- 3 for Be and Co to 1.92 ng m- 3 for Fe. It was successfully applied for the determination of atmospheric pollutant metals collected in Lhasa, China. The analytical results showed good agreement with those obtained by conventional liquid analysis. In contrast to the conventional acid digestion procedure, the novel method not only greatly reduces sample preparation and shortens the analysis time but also provides a possible means for studying the spatial distribution of atmospheric filter samples.

  3. The hydrological modeling in terms of determining the potential European beaver effect

    NASA Astrophysics Data System (ADS)

    Szostak, Marta; Jagodzińska, Jadwiga

    2017-06-01

    The objective of the paper was the hydrological analysis, in terms of categorizing main watercourses (based on coupled catchments) and marking areas covered by potential impact of the occurrence and activities of the European beaver Castor fiber. At the analysed area - the Forest District Głogów Małopolski there is a population of about 200 beavers in that Forest District. Damage inflicted by beavers was detected on 33.0 ha of the Forest District, while in the area of 13.9 ha the damage was small (below 10%). The monitoring of the beavers' behaviour and the analysis of their influence on hydrology of the area became an important element of using geoinformationtools in the management of forest areas. ArcHydro ArcGIS Esri module was applied, as an integrated set of tools for hydrographical analysis and modelling. Further steps of the procedure are hydrologic analyses such as: marking river networks on the DTM, filling holes, making maps of the flow direction, making the map of the accumulation flow, defining and segmentation of streams, marking elementary basins, marking coupled basins, making dams in the places, where beavers occur and localization of the area with a visible impact of damming. The result of the study includes maps prepared for the Forest District: the map of main rivers and their basins, categories of watercourses and compartments particularly threatened by beaver's foraging.

  4. Coupled tomography and distinct-element-method approach to exploring the granular media microstructure in a jamming hourglass

    NASA Astrophysics Data System (ADS)

    Tsukahara, M.; Mitrovic, S.; Gajdosik, V.; Margaritondo, G.; Pournin, L.; Ramaioli, M.; Sage, D.; Hwu, Y.; Unser, M.; Liebling, Th. M.

    2008-06-01

    We describe an approach for exploring microscopic properties of granular media that couples x-ray microtomography and distinct-element-method (DEM) simulations through image analysis. We illustrate it via the study of the intriguing phenomenon of instant arching in an hourglass (in our case a cylinder filled with a polydisperse mixture of glass beads that has a small circular shutter in the bottom). X-ray tomography provides three-dimensional snapshots of the microscopic conditions of the system both prior to opening the shutter, and thereafter, once jamming is completed. The process time in between is bridged using DEM simulation, which settles to positions in remarkably good agreement with the x-ray images. Specifically designed image analysis procedures accurately extract the geometrical information, i.e., the positions and sizes of the beads, from the raw x-ray tomographs, and compress the data representation from initially 5 gigabytes to a few tens of kilobytes per tomograph. The scope of the approach is explored through a sensitivity analysis to input data perturbations in both bead sizes and positions. We establish that accuracy of size—much more than position—estimates is critical, thus explaining the difficulty in considering a mixture of beads of different sizes. We further point to limits in the replication ability of granular flows away from equilibrium; i.e., the difficulty of numerically reproducing chaotic motion.

  5. General approach and scope. [rotor blade design optimization

    NASA Technical Reports Server (NTRS)

    Adelman, Howard M.; Mantay, Wayne R.

    1989-01-01

    This paper describes a joint activity involving NASA and Army researchers at the NASA Langley Research Center to develop optimization procedures aimed at improving the rotor blade design process by integrating appropriate disciplines and accounting for all of the important interactions among the disciplines. The disciplines involved include rotor aerodynamics, rotor dynamics, rotor structures, airframe dynamics, and acoustics. The work is focused on combining these five key disciplines in an optimization procedure capable of designing a rotor system to satisfy multidisciplinary design requirements. Fundamental to the plan is a three-phased approach. In phase 1, the disciplines of blade dynamics, blade aerodynamics, and blade structure will be closely coupled, while acoustics and airframe dynamics will be decoupled and be accounted for as effective constraints on the design for the first three disciplines. In phase 2, acoustics is to be integrated with the first three disciplines. Finally, in phase 3, airframe dynamics will be fully integrated with the other four disciplines. This paper deals with details of the phase 1 approach and includes details of the optimization formulation, design variables, constraints, and objective function, as well as details of discipline interactions, analysis methods, and methods for validating the procedure.

  6. Assessment of sperm DNA in patients submitted the assisted reproduction technology procedures.

    PubMed

    Tsuribe, Patrícia Miyuki; Lima Neto, João Ferreira; Golim, Marjorie de Assis; Dell'Aqua, Camila de Paula Freitas; Issa, João Paulo; Gobbo, Carlos Alberto Monte

    2016-03-01

    This study aimed to produce data on sperm quality while maintaining the integrity of sperm DNA samples taken from patients submitted to in vitro fertilization (IVF) procedures at our center, and determine whether increased levels of histones were associated with sperm DNA damage and decreased fertilization, cleavage, and pregnancy rates. Such findings might shed light on the physiology and outcomes of pregnancy. Semen samples from 27 patients divided into two groups were analyzed. The case group included individuals offered IVF; the control group had subjects with normal spermograms. Sperm DNA structure was assessed through phosphorylated histone H2AX analysis by flow cytometry. The patients with altered sperm parameters had more histones in sperm chromatin than the individuals with normal sperm parameters. Results indicated that increased levels of histone in sperm chromatin do not affect embryo production, but affect the cleavage rate, embryo quality, and might thus reduce pregnancy rates. The integrity of the paternal genome is of paramount importance in the initiation and maintenance of a viable pregnancy in patients treated with assisted reproduction technology procedures. Further studies on sperm diagnostic tests at a nuclear level might improve the treatment offered to infertile couples.

  7. Determination of arsenic species in fish, crustacean and sediment samples from Thailand using high performance liquid chromatography (HPLC) coupled with inductively coupled plasma mass spectrometry (ICP-MS).

    PubMed

    Rattanachongkiat, S; Millward, G E; Foulkes, M E

    2004-04-01

    Suitable techniques have been developed for the extraction of arsenic species in a variety of biological and environmental samples from the Pak Pa-Nang Estuary and catchment, located in Southern Thailand, and for their determination using HPLC directly coupled with ICP-MS. The estuary catchment comprises a tin mining area and inhabitants of the region can suffer from various stages of arsenic poisoning. The important arsenic species, AsB, DMA, MMA, and inorganic arsenic (As III and V) have been determined in fish and crustacean samples to provide toxicological information on those fauna which contribute to the local diet. A Hamilton PRP-X100 anion-exchange HPLC system employing a step elution has been used successfully to achieve separation of the arsenic species. A nitric acid microwave digestion procedure, followed by carrier gas nitrogen addition- (N2)-ICP-MS analysis was used to measure total arsenic in sample digests and extracts. The arsenic speciation of the biological samples was preserved using a Trypsin enzymatic extraction procedure. Extraction efficiencies were high, with values of 82-102%(As) for fish and crustacean samples. Validation for these procedures was carried out using certified reference materials. Fish and crustacean samples from the Pak Pa-Nang Estuary showed a range for total arsenic concentration, up to 17 microg g(-1) dry mass. The major species of arsenic in all fauna samples taken was AsB, together with smaller quantities of DMA and, more importantly, inorganic As. For sediment samples, arsenic species were determined following phosphoric acid (1 M H3PO4) extraction in an open focused microwave system. A phosphate-based eluant, pH 6-7.5, with anion exchange HPLC coupled with ICP-MS was used for separation and detection of AsIII, AsV, MMA and DMA. The optimum conditions, identified using an estuarine sediment reference material (LGC), were achieved using 45 W power and a 20 minute heating period for extraction of 0.5 g sediment. The stability and recovery of arsenic species under the extraction conditions were also determined by a spiking procedure which included the estuarine sediment reference material. The results show good stability for all species after extraction with a variability of less than 10%. Total concentrations of arsenic in the sediments from the Pak Pa-Nang river catchment and the estuary covered the ranges 7-269 microg g(-1)and 4-20 [micro sign]g g(-1)(dry weight), respectively. AsV was the major species found in all the sediment samples with smaller quantities of AsIII. The presence of the more toxic inorganic forms of arsenic in both sediments and biota samples has implications for human health, particularly as they are readily 'available'.

  8. Stability of the Zagreb realization of the Carnegie-Mellon-Berkeley coupled-channels unitary model

    NASA Astrophysics Data System (ADS)

    Osmanović, H.; Ceci, S.; Švarc, A.; Hadžimehmedović, M.; Stahov, J.

    2011-09-01

    In Hadžimehmedović [Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.84.035204 84, 035204 (2011)] we have used the Zagreb realization of Carnegie-Melon-Berkeley coupled-channel, unitary model as a tool for extracting pole positions from the world collection of partial-wave data, with the aim of eliminating model dependence in pole-search procedures. In order that the method is sensible, we in this paper discuss the stability of the method with respect to the strong variation of different model ingredients. We show that the Zagreb CMB procedure is very stable with strong variation of the model assumptions and that it can reliably predict the pole positions of the fitted partial-wave amplitudes.

  9. Coupling of Multiple Coulomb Scattering with Energy Loss and Straggling in HZETRN

    NASA Technical Reports Server (NTRS)

    Mertens, Christopher J.; Wilson, John W.; Walker, Steven A.; Tweed, John

    2007-01-01

    The new version of the HZETRN deterministic transport code based on Green's function methods, and the incorporation of ground-based laboratory boundary conditions, has lead to the development of analytical and numerical procedures to include off-axis dispersion of primary ion beams due to small-angle multiple Coulomb scattering. In this paper we present the theoretical formulation and computational procedures to compute ion beam broadening and a methodology towards achieving a self-consistent approach to coupling multiple scattering interactions with ionization energy loss and straggling. Our initial benchmark case is a 60 MeV proton beam on muscle tissue, for which we can compare various attributes of beam broadening with Monte Carlo simulations reported in the open literature.

  10. Assaying Oxidative Coupling Activity of CYP450 Enzymes.

    PubMed

    Agarwal, Vinayak

    2018-01-01

    Cytochrome P450 (CYP450) enzymes are ubiquitous catalysts in natural product biosynthetic schemes where they catalyze numerous different transformations using radical intermediates. In this protocol, we describe procedures to assay the activity of a marine bacterial CYP450 enzyme Bmp7 which catalyzes the oxidative radical coupling of polyhalogenated aromatic substrates. The broad substrate tolerance of Bmp7, together with rearrangements of the aryl radical intermediates leads to a large number of products to be generated by the enzymatic action of Bmp7. The complexity of the product pool generated by Bmp7 thus presents an analytical challenge for structural elucidation. To address this challenge, we describe mass spectrometry-based procedures to provide structural insights into aryl crosslinked products generated by Bmp7, which can complement subsequent spectroscopic experiments. Using the procedures described here, for the first time, we show that Bmp7 can efficiently accept polychlorinated aryl substrates, in addition to the physiological polybrominated substrates for the biosynthesis of polyhalogenated marine natural products. © 2018 Elsevier Inc. All rights reserved.

  11. A diagnostic for determining the quality of single-reference electron correlation methods

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Taylor, Peter R.

    1989-01-01

    It was recently proposed that the Euclidian norm of the t(sub 1) vector of the coupled cluster wave function (normalized by the number of electrons included in the correlation procedure) could be used to determine whether a single-reference-based electron correlation procedure is appopriate. This diagnostic, T(sub 1) is defined for use with self-consistent-field molecular orbitals and is invariant to the same orbital rotations as the coupled cluster energy. T(sub 1) is investigated for several different chemical systems which exhibit a range of multireference behavior, and is shown to be an excellent measure of the importance of non-dynamical electron correlation and is far superior to C(sub 0) from a singles and doubles configuration interaction wave function. It is further suggested that when the aim is to recover a large fraction of the dynamical electron correlation energy, a large T(sub 1) (i.e., greater than 0.02) probably indicates the need for a multireference electron correlation procedure.

  12. A diagnostic for determining the quality of single-reference electron correlation methods

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Taylor, Peter R.

    1989-01-01

    It was recently proposed that the Euclidian norm of the t sub 1 vector of the coupled cluster wave function (normalized by the number of electrons included in the correlation procedure) could be used to determine whether a single-reference-based electron correlation procedure is appropriate. This diagnostic, T sub 1, is defined for use with self consistent field molecular orbitals and is invariant to the same orbital rotations as the coupled cluster energy. T sub 1 is investigated for several different chemical systems which exhibit a range of multireference behavior, and is shown to be an excellent measure of the importance of nondynamical electron correlation and is far superior to C sub 0 from a singles and doubles configuration interaction wave function. It is further suggested that when the aim is to recover a large fraction of the dynamical electron correlation energy, a large T sub 1 (i.e., greater than 0.02) probably indicates the need for a multireference electron correlation procedure.

  13. Multi-class analysis of new psychoactive substances and metabolites in hair by pressurized liquid extraction coupled to HPLC-HRMS.

    PubMed

    Montesano, Camilla; Vannutelli, Gabriele; Massa, Maristella; Simeoni, Maria Chiara; Gregori, Adolfo; Ripani, Luigi; Compagnone, Dario; Curini, Roberta; Sergi, Manuel

    2017-05-01

    In this paper, an analytical method has been developed and validated for the analysis of new psychoactive substances (NPS) and metabolites in hair samples. The method was based on pressurized liquid extraction (PLE) followed by solid-phase extraction (SPE) clean-up and high performance liquid chromatography-high resolution mass spectrometry (HPLC-HRMS) analysis. To evaluate extraction efficiency and the applicability of the method, hair samples were fortified by soaking in order to obtain a good surrogate for drug users' hair; the amount of incorporated drugs related to their lipophilicity, similarly to in vivo drug incorporation. To the best of our knowledge, this is the first method that allowed for the analysis of both cathinones (5) and synthetic cannabinoids (7) in hair with a single extraction procedure and chromatographic run. A phenethylamine (2C-T-4), 4- fluorophenylpiperazine and methoxetamine were also included showing that PLE coupled to SPE clean-up was suitable for a multi-class analysis of NPS in hair. In addition, the use of PLE significantly reduced hair analysis time: decontamination, incubation, clean-up, and liquid chromatography-mass spectrometry (LC-MS) analysis were carried out in approximately 45 min. The method was fully validated according to Scientific Working Group for Forensic Toxicology (SWGTOX) and Society of Hair Testing (SoHT) guidelines. Limit of quantification (LOQ) values ranged from 8 to 50 pg mg -1 for cathinones, phenetylamines and piperazines, and from 9 to 40 pg mg -1 for synthetic cannabinoids (10 pg mg -1 for methoxetamine). Matrix effects were below 15% for all the analytes, demonstrating the effectiveness of the clean-up step. Inaccuracy was lower than 9% in terms of bias. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  14. Analysis-Software for Hyperspectral Algal Reflectance Probes v. 1.0

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

    Timlin, Jerilyn A.; Reichardt, Thomas A.; Jenson, Travis J.

    This software provides onsite analysis of the hyperspectral reflectance data acquired on an outdoor algal pond by a multichannel, fiber-coupled spectroradiometer. The analysis algorithm is based on numerical inversion of a reflectance model, in which the above-water reflectance is expressed as a function of the single backscattering albedo, which is dependent on the backscatter and absorption coefficients of the algal culture, which are in turn related to the algal biomass and pigment optical activity, respectively. Prior to the development of this software, while raw multichannel data were displayed in real time, analysis required a post-processing procedure to extract the relevantmore » parameters. This software provides the capability to track the temporal variation of such culture parameters in real time, as raw data are being acquired, or can be run in a post processing mode. The software allows the user to select between different algal species, incorporate the appropriate calibration data, and observe the quality of the resulting model inversions.« less

  15. Continuous flow analysis combined with a light-absorption ratio variation approach for determination of copper at ng/ml level in natural water.

    PubMed

    Gao, Hong-Wen; Wang, Chun-Lei; Jia, Jiang-Yan; Zhang, Ya-Lei

    2007-06-01

    The complexation between Cu(II) and naphthochrome green (NG) is very sensitive at pH 4.09 with the formation of complex ion [Cu(NG)2(H2O)2](2-). It can thus used for the determination of Cu(II) by the light-absorption ratio variation approach (LARVA) with a good selectivity. Both the ordinary detection procedure and continuous flow analysis (CFA) were carried out, where the latter is fit for continuous and rapid analysis of samples. The limit of detection (LOD) of Cu(II) is only 1 ng/ml, which is favorable for direct monitoring of natural water. About 30 samples could be analyzed per hour by CFA. Cu(II) contents in Yangtze River, West Lake, Taihu Lake of China and seawater near Shanghai were determined with satisfactory results. The CFA-LARVA spectrophotometry was the first to be coupled and it will play an important role in the in-situ analysis of natural water quality.

  16. Multielemental speciation analysis by advanced hyphenated technique - HPLC/ICP-MS: A review.

    PubMed

    Marcinkowska, Monika; Barałkiewicz, Danuta

    2016-12-01

    Speciation analysis has become an invaluable tool in human health risk assessment, environmental monitoring or food quality control. Another step is to develop reliable multielemental speciation methodologies, to reduce costs, waste and time needed for the analysis. Separation and detection of species of several elements in a single analytical run can be accomplished by high performance liquid chromatography hyphenated to inductively coupled plasma mass spectrometry (HPLC/ICP-MS). Our review assembles articles concerning multielemental speciation determination of: As, Se, Cr, Sb, I, Br, Pb, Hg, V, Mo, Te, Tl, Cd and W in environmental, biological, food and clinical samples analyzed with HPLC/ICP-MS. It addresses the procedures in terms of following issues: sample collection and pretreatment, selection of optimal conditions for elements species separation by HPLC and determination using ICP-MS as well as metrological approach. The presented work is the first review article concerning multielemental speciation analysis by advanced hyphenated technique HPLC/ICP-MS. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Aeroelastic Analysis of Helicopter Rotor Blades Incorporating Anisotropic Piezoelectric Twist Actuation

    NASA Technical Reports Server (NTRS)

    Wilkie, W. Keats; Belvin, W. Keith; Park, K. C.

    1996-01-01

    A simple aeroelastic analysis of a helicopter rotor blade incorporating embedded piezoelectric fiber composite, interdigitated electrode blade twist actuators is described. The analysis consists of a linear torsion and flapwise bending model coupled with a nonlinear ONERA based unsteady aerodynamics model. A modified Galerkin procedure is performed upon the rotor blade partial differential equations of motion to develop a system of ordinary differential equations suitable for dynamics simulation using numerical integration. The twist actuation responses for three conceptual fullscale blade designs with realistic constraints on blade mass are numerically evaluated using the analysis. Numerical results indicate that useful amplitudes of nonresonant elastic twist, on the order of one to two degrees, are achievable under one-g hovering flight conditions for interdigitated electrode poling configurations. Twist actuation for the interdigitated electrode blades is also compared with the twist actuation of a conventionally poled piezoelectric fiber composite blade. Elastic twist produced using the interdigitated electrode actuators was found to be four to five times larger than that obtained with the conventionally poled actuators.

  18. An aeroelastic analysis of helicopter rotor blades incorporating piezoelectric fiber composite twist actuation

    NASA Technical Reports Server (NTRS)

    Wilkie, W. Keats; Park, K. C.

    1996-01-01

    A simple aeroelastic analysis of a helicopter rotor blade incorporating embedded piezoelectric fiber composite, interdigitated electrode blade twist actuators is described. The analysis consist of a linear torsion and flapwise bending model coupled with a nonlinear ONERA based unsteady aerodynamics model. A modified Galerkin procedure is performed upon the rotor blade partial differential equations of motion to develop a system of ordinary differential equations suitable for numerical integration. The twist actuation responses for three conceptual full-scale blade designs with realistic constraints on blade mass are numerically evaluated using the analysis. Numerical results indicate that useful amplitudes of nonresonant elastic twist, on the order of one to two degrees, are achievable under one-g hovering flight conditions for interdigitated electrode poling configurations. Twist actuation for the interdigitated electrode blades is also compared with the twist actuation of a conventionally poled piezoelectric fiber composite blade. Elastic twist produced using the interdigitated electrode actuators was found to be four to five times larger than that obtained with the conventionally poled actuators.

  19. 40 CFR 201.26 - Procedures for the measurement on receiving property of retarder and car coupling noise.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... ave max=Lave max +C in dB. Values in Table 2 were calculated from [C=10 log n/T] with intervals... max for Retarders and Car Coupling Impacts 1 [n/T=number of measurements/measurement duration (min) C... divided by the duration of the measurement period (n/T), to obtain the adjusted average maximum A-weighted...

  20. 40 CFR 201.26 - Procedures for the measurement on receiving property of retarder and car coupling noise.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... ave max=Lave max +C in dB. Values in Table 2 were calculated from [C=10 log n/T] with intervals... max for Retarders and Car Coupling Impacts 1 [n/T=number of measurements/measurement duration (min) C... divided by the duration of the measurement period (n/T), to obtain the adjusted average maximum A-weighted...

  1. A coupled implicit method for chemical non-equilibrium flows at all speeds

    NASA Technical Reports Server (NTRS)

    Shuen, Jian-Shun; Chen, Kuo-Huey; Choi, Yunho

    1993-01-01

    The present time-accurate coupled-solution procedure addresses the chemical nonequilibrium Navier-Stokes equations over a wide Mach-number range uses, in conjunction with the strong conservation form of the governing equations, five unknown primitive variables. The numerical tests undertaken address steady convergent-divergent nozzle flows with air dissociation/recombination, dump combustor flows with n-pentane/air chemistry, and unsteady nonreacting cavity flows.

  2. New type of a generalized variable-coefficient Kadomtsev-Petviashvili equation with self-consistent sources and its Grammian-type solutions

    NASA Astrophysics Data System (ADS)

    Zhang, Yi; Xu, Yue; Ma, Kun

    2016-08-01

    In this paper, the variable-coefficient Kadomtsev-Petviashvili (vcKP) equation with self-consistent sources is presented by two different methods, one is the source generation procedure, the other is the Pfaffianization procedure, and the solutions for the two new coupled systems are given through Grammian-type Pfaffian determinants.

  3. Optimum Design of High Speed Prop-Rotors

    NASA Technical Reports Server (NTRS)

    Chattopadhyay, Aditi

    1992-01-01

    The objective of this research is to develop optimization procedures to provide design trends in high speed prop-rotors. The necessary disciplinary couplings are all considered within a closed loop optimization process. The procedures involve the consideration of blade aeroelastic, aerodynamic performance, structural and dynamic design requirements. Further, since the design involves consideration of several different objectives, multiobjective function formulation techniques are developed.

  4. Dispersed particle extraction--a new procedure for trace element enrichment from natural aqueous samples with subsequent ICP-OES analysis.

    PubMed

    Bauer, Gerald; Neouze, Marie-Alexandra; Limbeck, Andreas

    2013-01-15

    A novel sample pre-treatment method for multi trace element enrichment from environmental waters prior to optical emission spectrometry analysis with inductively coupled plasma (ICP-OES) is proposed, based on dispersed particle extraction (DPE). This method is based on the use of silica nanoparticles functionalized with strong cation exchange ligands. After separation from the investigated sample solution, the nanoparticles used for the extraction are directly introduced in the ICP for measurement of the adsorbed target analytes. A prerequisite for the successful application of the developed slurry approach is the use of sorbent particles with a mean size of 500 nm instead of commercially available μm sized beads. The proposed method offers the known advantages of common bead-injection (BI) techniques, and further circumvents the elution step required in conventional solid phase extraction procedures. With the use of 14.4 mL sample and addition of ammonium acetate buffer and particle slurry limits of detection (LODs) from 0.03 μg L(-1) for Be to 0.48 μg L(-1) for Fe, with relative standard deviations ranging from 1.7% for Fe and 5.5% for Cr and an average enrichment factor of 10.4 could be achieved. By implementing this method the possibility to access sorbent materials with irreversible bonding mechanisms for sample pre-treatment is established, thus improvements in the selectivity of sample pre-treatment procedures can be achieved. The presented procedure was tested for accuracy with NIST standard reference material 1643e (fresh water) and was applied to drinking water samples from the vicinity of Vienna. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. Hydrophobic Hydration of Stimulus-Responsive Polyproteins Measured by Single Molecule Force Spectroscopy

    NASA Astrophysics Data System (ADS)

    Zauscher, Stefan

    2007-03-01

    We present a new procedure to reduce and analyze force-extension data obtained by single molecule force spectroscopy (SMFS). This approach allows, for the first time, to infer effects of solvent quality and minor changes in molecular architecture on molecular-elasticity of individual (bio)macromolecules. Specifically, we show how changes in the effective Kuhn segment length can be used to interpret the hydrophobic hydration behavior of elastin-like polypeptides (ELPs).Our results are intriguing as they suggest that SMFS in combination with our analysis procedure can be used to study the subtleties of polypeptide-water interactions on the single molecule level. We also report on the force-induced cis-trans isomerization of prolines, which are repeated every fifth residue in the main chain of ELPs. We present evidence for this mechanism by Monte Carlo simulations of the force-extension curves using an elastically coupled two-state system. Our results suggest that SMFS could be used to assay proline cis-trans isomerization in proteins and may thus have significant potential diagnostic utility.

  6. Scheme Variations of the QCD Coupling and Hadronic τ Decays

    NASA Astrophysics Data System (ADS)

    Boito, Diogo; Jamin, Matthias; Miravitllas, Ramon

    2016-10-01

    The quantum chromodynamics (QCD) coupling αs is not a physical observable of the theory, since it depends on conventions related to the renormalization procedure. We introduce a definition of the QCD coupling, denoted by α^s, whose running is explicitly renormalization scheme invariant. The scheme dependence of the new coupling α^s is parametrized by a single parameter C , related to transformations of the QCD scale Λ . It is demonstrated that appropriate choices of C can lead to substantial improvements in the perturbative prediction of physical observables. As phenomenological applications, we study e+e- scattering and decays of the τ lepton into hadrons, both being governed by the QCD Adler function.

  7. Eban HIV/STD risk reduction intervention: conceptual basis and procedures.

    PubMed

    2008-09-01

    To describe the Eban HIV/STD Risk Reduction Intervention being evaluated in the NIMH Multisite HIV/STD Prevention trial for heterosexual African American couples, including the integrated theoretical framework, the structure, core elements and procedures of the intervention, and how the content was shaped by culturally congruent concepts to address the needs of the study target population. The Eban HIV/STD Risk Reduction Intervention is designed to address multilevel individual-, interpersonal-, and community-level factors that contribute to HIV/STD transmission risk behaviors among heterosexual African American couples who are HIV serodiscordant. The Eban HIV/STD Risk Reduction Intervention employs a mixed modality, couple-based approach that is based on an integrated ecological framework incorporating social cognitive theory and uses an Afrocentric paradigm that is informed by previous evidence-based couples HIV prevention interventions. For this randomized controlled trial, African American serodiscordant couples were recruited from 4 urban sites (Atlanta, Los Angeles, New York, and Philadelphia) and were randomized to either the Eban HIV/STD Risk Reduction Intervention (treatment condition) or a Health Promotion Intervention that served as an attentional control condition. Both interventions had 4 individual couple sessions and 4 group sessions, but only the treatment condition was focused on reducing HIV/STD risk behaviors. Behavioral and biological data were collected at baseline, immediately after the intervention, and at 6 and 12 months. The theoretical framework, core elements, and content of each session are described and lessons learned from this intervention trial are discussed. An HIV prevention intervention combining couple and group sessions can be feasibly implemented with African American HIV-serodiscordant couples who remain at high risk of HIV/STD transmission. The lessons learned from the trial suggest that the participants responded very well to both the couple and the group sessions. Participant feedback suggests that the cultural congruence of the intervention and use of African American cofacilitators made them feel comfortable disclosing risky behaviors. Participant feedback also suggests that the intervention's couple-based focus on enhancing dyadic communication and decision-making skills was key to helping the couples work together to overcome barriers to using condoms. Participant and facilitator evaluations of the Eban Risk Reduction Intervention suggest that couples responded well to the Afrocentric content and mixed modalities of the intervention sessions. Couple sessions were optimal for enhancing interpersonal and microlevel factors, including communication, problem solving, and decision making.

  8. Testing the Concept of Quark-Hadron Duality with the ALEPH τ Decay Data

    NASA Astrophysics Data System (ADS)

    Magradze, B. A.

    2010-12-01

    We propose a modified procedure for extracting the numerical value for the strong coupling constant α s from the τ lepton hadronic decay rate into non-strange particles in the vector channel. We employ the concept of the quark-hadron duality specifically, introducing a boundary energy squared s p > 0, the onset of the perturbative QCD continuum in Minkowski space (Bertlmann et al. in Nucl Phys B 250:61, 1985; de Rafael in An introduction to sum rules in QCD. In: Lectures at the Les Houches Summer School. arXiv: 9802448 [hep-ph], 1997; Peris et al. in JHEP 9805:011, 1998). To approximate the hadronic spectral function in the region s > s p, we use analytic perturbation theory (APT) up to the fifth order. A new feature of our procedure is that it enables us to extract from the data simultaneously the QCD scale parameter {Λ_{overlineMS}} and the boundary energy squared s p. We carefully determine the experimental errors on these parameters which come from the errors on the invariant mass squared distribution. For the {overlineMS} scheme coupling constant, we obtain {α_s(m2_{tau})=0.3204± 0.0159_{exp.}}. We show that our numerical analysis is much more stable against higher-order corrections than the standard one. Additionally, we recalculate the “experimental” Adler function in the infrared region using final ALEPH results. The uncertainty on this function is also determined.

  9. Analysis of piezoelectric energy harvester under modulated and filtered white Gaussian noise

    NASA Astrophysics Data System (ADS)

    Quaranta, Giuseppe; Trentadue, Francesco; Maruccio, Claudio; Marano, Giuseppe C.

    2018-05-01

    This paper proposes a comprehensive method for the electromechanical probabilistic analysis of piezoelectric energy harvesters subjected to modulated and filtered white Gaussian noise (WGN) at the base. Specifically, the dynamic excitation is simulated by means of an amplitude-modulated WGN, which is filtered through the Clough-Penzien filter. The considered piezoelectric harvester is a cantilever bimorph modeled as Euler-Bernoulli beam with a concentrated mass at the free-end, and its global behavior is approximated by the fundamental vibration mode (which is tuned with the dominant frequency of the dynamic input). A resistive electrical load is considered in the circuit. Once the Lyapunov equation of the coupled electromechanical problem has been formulated, an original and efficient semi-analytical procedure is proposed to estimate mean and standard deviation of the electrical energy extracted from the piezoelectric layers.

  10. Hazard analysis of Clostridium perfringens in the Skylab Food System

    NASA Technical Reports Server (NTRS)

    Bourland, C. T.; Huber, C. S.; Kiser, P. R.; Heidelbaugh, N. D.; Rowley, D. B.

    1974-01-01

    The Skylab Food System presented unique microbiological problems because food was warmed in null-gravity and because the heat source was limited to 69.4 C (to prevent boiling in null-gravity). For these reasons, the foods were manufactured using critical control point techniques of quality control coupled with appropriate hazard analyses. One of these hazard analyses evaluated the threat from Clostridium perfringens. Samples of food were inoculated with C. perfringens and incubated for 2 h at temperatures ranging from 25 to 55 C. Generation times were determined for the foods at various temperatures. Results of these tests were evaluated taking into consideration: food-borne disease epidemiology, the Skylab food manufacturing procedures, and the performance requirements of the Skylab Food System. Based on this hazard analysis, a limit for C. perfringens of 100/g was established for Skylab foods.

  11. Correlations among experimental and theoretical NMR data to determine the absolute stereochemistry of darcyribeirine, a pentacyclic indole alkaloid isolated from Rauvolfia grandiflora

    NASA Astrophysics Data System (ADS)

    Cancelieri, Náuvia Maria; Ferreira, Thiago Resende; Vieira, Ivo José Curcino; Braz-Filho, Raimundo; Piló-Veloso, Dorila; Alcântara, Antônio Flávio de Carvalho

    2015-10-01

    Darcyribeirine (1) is a pentacyclic indole alkaloid isolated from Rauvolfia grandiflora. Stereochemistry of 1 was previously proposed based on 1D (coupling constant data) and 2D (NOESY correlations) NMR techniques, having been established a configuration 3R, 15S, and 20R (isomer 1a). Stereoisomers of 1 (i.e., 1a-1h) can be grouped into four sets of enantiomers. Carbon chemical shifts and hydrogen coupling constants were calculated using BLYP/6-31G* theory level for the eight isomers of 1. Calculated NMR data of 1a-1h were correlated with the corresponding experimental data of 1. The best correlations between theoretical and experimental carbon chemical shift data were obtained for the set of enantiomers 1e/1f to structures in the gaseous phase and considering solvent effects (using PCM and explicit models). Similar results were obtained when the same procedure was performed to correlations between theoretical and experimental coupling constant data. Finally, optical rotation calculations indicate 1e as its absolute stereochemistry. Orbital population analysis indicates that the hydrogen bonding between N-H of 1e and DMSO is due to contributions of its frontier unoccupied molecular orbitals, mainly LUMO+1, LUMO+2, and LUMO+3.

  12. Implementationof a modular software system for multiphysical processes in porous media

    NASA Astrophysics Data System (ADS)

    Naumov, Dmitri; Watanabe, Norihiro; Bilke, Lars; Fischer, Thomas; Lehmann, Christoph; Rink, Karsten; Walther, Marc; Wang, Wenqing; Kolditz, Olaf

    2016-04-01

    Subsurface georeservoirs are a candidate technology for large scale energy storage required as part of the transition to renewable energy sources. The increased use of the subsurface results in competing interests and possible impacts on protected entities. To optimize and plan the use of the subsurface in large scale scenario analyses,powerful numerical frameworks are required that aid process understanding and can capture the coupled thermal (T), hydraulic (H), mechanical (M), and chemical (C) processes with high computational efficiency. Due to having a multitude of different couplings between basic T, H, M, or C processes and the necessity to implement new numerical schemes the development focus has moved to software's modularity. The decreased coupling between the components results in two major advantages: easier addition of specialized processes and improvement of the code's testability and therefore its quality. The idea of modularization is implemented on several levels, in addition to library based separation of the previous code version, by using generalized algorithms available in the Standard Template Library and the Boost library, relying on efficient implementations of liner algebra solvers, using concepts when designing new types, and localization of frequently accessed data structures. This procedure shows certain benefits for a flexible high-performance framework applied to the analysis of multipurpose georeservoirs.

  13. Determination of glyphosate and AMPA in surface and waste water using high-performance ion chromatography coupled to inductively coupled plasma dynamic reaction cell mass spectrometry (HPIC-ICP-DRC-MS).

    PubMed

    Popp, Maximilian; Hann, Stephan; Mentler, Axel; Fuerhacker, Maria; Stingeder, Gerhard; Koellensperger, Gunda

    2008-05-01

    A novel method employing high-performance cation chromatography in combination with inductively coupled plasma dynamic reaction cell mass spectrometry (ICP-DRC-MS) for the simultaneous determination of the herbicide glyphosate (N-phosphonomethylglycine) and its main metabolite aminomethyl phosphonic acid (AMPA) is presented. P was measured as (31)P(16)O(+) using oxygen as reaction gas. For monitoring the stringent target value of 0.1 μg L(-1) for glyphosate, applicable for drinking and surface water within the EU, a two-step enrichment procedure employing Chelex 100 and AG1-X8 resins was applied prior to HPIC-ICP-MS analysis. The presented approach was validated for surface water, revealing concentrations of 0.67 μg L(-1) glyphosate and 2.8 μg L(-1) AMPA in selected Austrian river water samples. Moreover, investigations at three waste water-treatment plants showed that elimination of the compounds at the present concentration levels was not straightforward. On the contrary, all investigated plant effluents showed significant amounts of both compounds. Concentration levels ranged from 0.5-2 μg L(-1) and 4-14 μg L(-1) for glyphosate and AMPA, respectively.

  14. Current Internet use and preferences of IVF and ICSI patients.

    PubMed

    Haagen, E C; Tuil, W; Hendriks, J; de Bruijn, R P J; Braat, D D M; Kremer, J A M

    2003-10-01

    Nowadays, the Internet has a tremendous impact on modern society, including healthcare practice. The study aim was to characterize current Internet use by IVF and ICSI patients and to identify their preferences regarding Internet applications in fertility care. A total of 163 couples with fertility problems awaiting an IVF or ICSI procedure in the University Medical Centre Nijmegen, The Netherlands, was asked to complete a written questionnaire on Internet use in general, and also for fertility-related problems, preferences regarding Internet applications in fertility care and demographic characteristics. The response rate was 82%. In total, 81% of infertile couples used the Internet. Multivariate logistic regression analysis showed ethnic background and annual family income to be significant predictors of Internet use. Some 66% of Internet users and 54% of the total study population used the Internet for fertility-related problems. The female partners were the main Internet users with regard to fertility-related issues. In terms of preferences of the study participants, the majority favoured personal medical information online. Most infertile couples used the Internet with respect to fertility-related problems and were interested in implementation of Internet applications in fertility care. Healthcare providers should actively participate in the development and implementation of Internet applications in fertility care.

  15. Determination of 232Th in urine by ICP-MS for individual monitoring purposes.

    PubMed

    Baglan, N; Cossonnet, C; Ritt, J

    2001-07-01

    Thorium is naturally occurring in various ores used for industrial purposes and has numerous applications. This paper sets out to investigate urine analysis as a suitable monitoring approach for workers potentially exposed to thorium. Due to its biokinetic behavior and its low solubility, urinary concentrations are generally very low, requiring therefore high sensitivity analytical methods. An analytical procedure has been developed for detecting 232Th concentrations of below 1 mBq L(-1) quickly and easily. Due to the long half-life (1.41 x 10(10) y) of 232Th, the potential of a procedure based on urine sample dilution and ICP-MS (inductively coupled plasma-mass spectrometry) measurement was investigated first. Two dilution factors were chosen: 100, which is more suitable for long-term measurement trials, and 20, which increases sensitivity. It has been shown that a 100-fold dilution can be used to measure concentrations of below 1 mBq L(-1), whereas a 20-fold one can be used to reach concentrations of below 0.06 mBq L(-1). Then, on the basis of the limitation of the procedure based on urine dilution, the suitable field of application for the different procedures (100-fold and 20-fold dilution and also a chemical purification followed by an ICP-MS measurement) was determined in relation to monitoring objectives.

  16. Enamel surface topography analysis for diet discrimination. A methodology to enhance and select discriminative parameters

    NASA Astrophysics Data System (ADS)

    Francisco, Arthur; Blondel, Cécile; Brunetière, Noël; Ramdarshan, Anusha; Merceron, Gildas

    2018-03-01

    Tooth wear and, more specifically, dental microwear texture is a dietary proxy that has been used for years in vertebrate paleoecology and ecology. DMTA, dental microwear texture analysis, relies on a few parameters related to the surface complexity, anisotropy and heterogeneity of the enamel facets at the micrometric scale. Working with few but physically meaningful parameters helps in comparing published results and in defining levels for classification purposes. Other dental microwear approaches are based on ISO parameters and coupled with statistical tests to find the more relevant ones. The present study roughly utilizes most of the aforementioned parameters in their more or less modified form. But more than parameters, we here propose a new approach: instead of a single parameter characterizing the whole surface, we sample the surface and thus generate 9 derived parameters in order to broaden the parameter set. The identification of the most discriminative parameters is performed with an automated procedure which is an extended and refined version of the workflows encountered in some studies. The procedure in its initial form includes the most common tools, like the ANOVA and the correlation analysis, along with the required mathematical tests. The discrimination results show that a simplified form of the procedure is able to more efficiently identify the desired number of discriminative parameters. Also highlighted are some trends like the relevance of working with both height and spatial parameters, as well as the potential benefits of dimensionless surfaces. On a set of 45 surfaces issued from 45 specimens of three modern ruminants with differences in feeding preferences (grazing, leaf-browsing and fruit-eating), it is clearly shown that the level of wear discrimination is improved with the new methodology compared to the other ones.

  17. Sequential determination of fat- and water-soluble vitamins in green leafy vegetables during storage.

    PubMed

    Santos, J; Mendiola, J A; Oliveira, M B P P; Ibáñez, E; Herrero, M

    2012-10-26

    The simultaneous analysis of fat- and water-soluble vitamins from foods is a difficult task considering the wide range of chemical structures involved. In this work, a new procedure based on a sequential extraction and analysis of both types of vitamins is presented. The procedure couples several simple extraction steps to LC-MS/MS and LC-DAD in order to quantify the free vitamins contents in fresh-cut vegetables before and after a 10-days storage period. The developed method allows the correct quantification of vitamins C, B(1), B(2), B(3), B(5), B(6), B(9), E and provitamin A in ready-to-eat green leafy vegetable products including green lettuce, ruby red lettuce, watercress, swiss chard, lamb's lettuce, spearmint, spinach, wild rocket, pea leaves, mizuna, garden cress and red mustard. Using this optimized methodology, low LOQs were attained for the analyzed vitamins in less than 100 min, including extraction and vitamin analysis using 2 optimized procedures; good repeatability and linearity was achieved for all vitamins studied, while recoveries ranged from 83% to 105%. The most abundant free vitamins found in leafy vegetable products were vitamin C, provitamin A and vitamin E. The richest sample on vitamin C and provitamin A was pea leaves (154 mg/g fresh weight and 14.4 mg/100g fresh weight, respectively), whereas lamb's lettuce was the vegetable with the highest content on vitamin E (3.1 mg/100 g fresh weight). Generally, some losses of vitamins were detected after storage, although the behavior of each vitamin varied strongly among samples. Copyright © 2012 Elsevier B.V. All rights reserved.

  18. Ultra-trace analysis of hormones, pharmaceutical substances, alkylphenols and phthalates in two French natural mineral waters.

    PubMed

    Dévier, Marie-Hélène; Le Menach, Karyn; Viglino, Liza; Di Gioia, Lodovico; Lachassagne, Patrick; Budzinski, Hélène

    2013-01-15

    The aim of this work was to investigate the potential presence of a broad range of organic compounds, such as hormones, alkylphenols, bisphenol A and phthalates, as well as pharmaceutical substances in two brands of bottled natural mineral waters (Evian and Volvic, Danone). The phthalates were determined by solid-phase microextraction coupled to gas chromatography-mass spectrometry (SPME-GC-MS) and the other compounds by liquid chromatography-tandem mass spectrometry (LC-MS/MS) or gas chromatography-mass spectrometry (GC-MS) after solid-phase extraction. The potential migration of alkylphenols, bisphenol A and phthalates from polyethylene terephthalate (PET) bottles was also investigated under standardized test conditions. Evian and Volvic natural mineral waters contain none of the around 120 targeted organic compounds. Traces of 3 pharmaceuticals (ketoprofen, salicylic acid, and caffeine), 3 alkylphenols (4-nonylphenol, 4-t-octylphenol, and 4-nonylphenol diethoxylate), and some phthalates including di(2-ethylhexyl)phthalate (DEHP) were detected in the samples, but they were also present in the procedural blanks at similar levels. The additional test procedures demonstrated that the few detected compounds originated from the background laboratory contamination. Analytical procedures have been designed both in the bottling factory and in the laboratory in order to investigate the sources of DEHP and to minimize to the maximum this unavoidable laboratory contamination. It was evidenced that no migration of the targeted compounds from bottles occurred under the test conditions. The results obtained in this study underline the complexity of reaching a reliable measure to qualify the contamination of a sample at ultra-trace level, in the field of very pure matrices. The analytical procedures involving glassware, equipment, hoods, and rooms specifically dedicated to trace analysis allowed us to reach reliable procedural limits of quantification at the ng/L level, by lowering the background laboratory contamination. Copyright © 2012 Elsevier B.V. All rights reserved.

  19. Sample preparation for arsenic speciation analysis in baby food by generation of substituted arsines with atomic absorption spectrometry detection.

    PubMed

    Huber, Charles S; Vale, Maria Goreti R; Dessuy, Morgana B; Svoboda, Milan; Musil, Stanislav; Dědina, Jiři

    2017-12-01

    A slurry sampling procedure for arsenic speciation analysis in baby food by arsane generation, cryogenic trapping and detection with atomic absorption spectrometry is presented. Several procedures were tested for slurry preparation, including different reagents (HNO 3 , HCl and tetramethylammonium hydroxide - TMAH) and their concentrations, water bath heating and ultrasound-assisted agitation. The best results for inorganic arsenic (iAs) and dimethylarsinate (DMA) were reached when using 3molL -1 HCl under heating and ultrasound-assisted agitation. The developed method was applied for the analysis of five porridge powder and six baby meal samples. The trueness of the method was checked with a certified reference material (CRM) of total arsenic (tAs), iAs and DMA in rice (ERM-BC211). Arsenic recoveries (mass balance) for all samples and CRM were performed by the determination of the tAs by inductively coupled plasma mass spectrometry (ICP-MS) after microwave-assisted digestion and its comparison against the sum of the results from the speciation analysis. The relative limits of detection were 0.44, 0.24 and 0.16µgkg -1 for iAs, methylarsonate and DMA, respectively. The concentrations of the most toxic arsenic species (iAs) in the analyzed baby food samples ranged between 4.2 and 99µgkg -1 which were below the limits of 300, 200 and 100µgkg -1 set by the Brazilian, Chinese and European legislation, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Deterministic Local Sensitivity Analysis of Augmented Systems - II: Applications to the QUENCH-04 Experiment Using the RELAP5/MOD3.2 Code System

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

    Ionescu-Bujor, Mihaela; Jin Xuezhou; Cacuci, Dan G.

    2005-09-15

    The adjoint sensitivity analysis procedure for augmented systems for application to the RELAP5/MOD3.2 code system is illustrated. Specifically, the adjoint sensitivity model corresponding to the heat structure models in RELAP5/MOD3.2 is derived and subsequently augmented to the two-fluid adjoint sensitivity model (ASM-REL/TF). The end product, called ASM-REL/TFH, comprises the complete adjoint sensitivity model for the coupled fluid dynamics/heat structure packages of the large-scale simulation code RELAP5/MOD3.2. The ASM-REL/TFH model is validated by computing sensitivities to the initial conditions for various time-dependent temperatures in the test bundle of the Quench-04 reactor safety experiment. This experiment simulates the reflooding with water ofmore » uncovered, degraded fuel rods, clad with material (Zircaloy-4) that has the same composition and size as that used in typical pressurized water reactors. The most important response for the Quench-04 experiment is the time evolution of the cladding temperature of heated fuel rods. The ASM-REL/TFH model is subsequently used to perform an illustrative sensitivity analysis of this and other time-dependent temperatures within the bundle. The results computed by using the augmented adjoint sensitivity system, ASM-REL/TFH, highlight the reliability, efficiency, and usefulness of the adjoint sensitivity analysis procedure for computing time-dependent sensitivities.« less

  1. Buckling Behavior of Compression-Loaded Composite Cylindrical Shells with Reinforced Cutouts

    NASA Technical Reports Server (NTRS)

    Hilburger, Mark W.; Starnes, James H., Jr.

    2002-01-01

    Results from a numerical study of the response of thin-wall compression-loaded quasi-isotropic laminated composite cylindrical shells with reinforced and unreinforced square cutouts are presented. The effects of cutout reinforcement orthotropy, size, and thickness on the nonlinear response of the shells are described. A high-fidelity nonlinear analysis procedure has been used to predict the nonlinear response of the shells. The analysis procedure includes a nonlinear static analysis that predicts stable response characteristics of the shells and a nonlinear transient analysis that predicts unstable dynamic buckling response characteristics. The results illustrate how a compression-loaded shell with an unreinforced cutout can exhibit a complex nonlinear response. In particular, a local buckling response occurs in the shell near the cutout and is caused by a complex nonlinear coupling between local shell-wall deformations and in-plane destabilizing compression stresses near the cutout. In general, the addition of reinforcement around a cutout in a compression-loaded shell can retard or eliminate the local buckling response near the cutout and increase the buckling load of the shell, as expected. However, results are presented that show how certain reinforcement configurations can actually cause an unexpected increase in the magnitude of local deformations and stresses in the shell and cause a reduction in the buckling load. Specific cases are presented that suggest that the orthotropy, thickness, and size of a cutout reinforcement in a shell can be tailored to achieve improved response characteristics.

  2. A refined Frequency Domain Decomposition tool for structural modal monitoring in earthquake engineering

    NASA Astrophysics Data System (ADS)

    Pioldi, Fabio; Rizzi, Egidio

    2017-07-01

    Output-only structural identification is developed by a refined Frequency Domain Decomposition ( rFDD) approach, towards assessing current modal properties of heavy-damped buildings (in terms of identification challenge), under strong ground motions. Structural responses from earthquake excitations are taken as input signals for the identification algorithm. A new dedicated computational procedure, based on coupled Chebyshev Type II bandpass filters, is outlined for the effective estimation of natural frequencies, mode shapes and modal damping ratios. The identification technique is also coupled with a Gabor Wavelet Transform, resulting in an effective and self-contained time-frequency analysis framework. Simulated response signals generated by shear-type frames (with variable structural features) are used as a necessary validation condition. In this context use is made of a complete set of seismic records taken from the FEMA P695 database, i.e. all 44 "Far-Field" (22 NS, 22 WE) earthquake signals. The modal estimates are statistically compared to their target values, proving the accuracy of the developed algorithm in providing prompt and accurate estimates of all current strong ground motion modal parameters. At this stage, such analysis tool may be employed for convenient application in the realm of Earthquake Engineering, towards potential Structural Health Monitoring and damage detection purposes.

  3. Simultaneous determination of potassium guaiacolsulfonate, guaifenesin, diphenhydramine HCl and carbetapentane citrate in syrups by using HPLC-DAD coupled with partial least squares multivariate calibration.

    PubMed

    Dönmez, Ozlem Aksu; Aşçi, Bürge; Bozdoğan, Abdürrezzak; Sungur, Sidika

    2011-02-15

    A simple and rapid analytical procedure was proposed for the determination of chromatographic peaks by means of partial least squares multivariate calibration (PLS) of high-performance liquid chromatography with diode array detection (HPLC-DAD). The method is exemplified with analysis of quaternary mixtures of potassium guaiacolsulfonate (PG), guaifenesin (GU), diphenhydramine HCI (DP) and carbetapentane citrate (CP) in syrup preparations. In this method, the area does not need to be directly measured and predictions are more accurate. Though the chromatographic and spectral peaks of the analytes were heavily overlapped and interferents coeluted with the compounds studied, good recoveries of analytes could be obtained with HPLC-DAD coupled with PLS calibration. This method was tested by analyzing the synthetic mixture of PG, GU, DP and CP. As a comparison method, a classsical HPLC method was used. The proposed methods were applied to syrups samples containing four drugs and the obtained results were statistically compared with each other. Finally, the main advantage of HPLC-PLS method over the classical HPLC method tried to emphasized as the using of simple mobile phase, shorter analysis time and no use of internal standard and gradient elution. Copyright © 2010 Elsevier B.V. All rights reserved.

  4. Multifractal detrended fluctuation analysis to characterize phase couplings in seahorse (Hippocampus kuda) feeding clicks.

    PubMed

    Haris, K; Chakraborty, Bishwajit; Menezes, A; Sreepada, R A; Fernandes, W A

    2014-10-01

    Nonlinear phenomena in animal vocalizations fundamentally includes known features, namely, frequency jump, subharmonics, biphonation, and deterministic chaos. In the present study, the multifractal detrended fluctuation analysis (MFDFA) has been employed to characterize the phase couplings revealed in the feeding clicks of Hippocampus kuda yellow seahorse. The fluctuation function Fq(s), generalized Hurst exponent h(q), multifractal scaling exponent τ(q), and the multifractal spectrum f(α) calculated in the procedure followed were analyzed to comprehend the underlying nonlinearities in the seahorse clicks. The analyses carried out reveal long-range power-law correlation properties in the data, substantiating the multifractal behavior. The resulting h(q) spectrum exhibits a distinct characteristic pattern in relation to the seahorse sex and size, and reveals a spectral blind spot in the data that was not possible to detect by conventional spectral analyses. The corresponding multifractal spectrum related width parameter Δh(q) is well clustered, defining the individual seahorse clicks. The highest degree of multifractality is evident in the 18 cm male seahorse, signifying greater heterogeneity. A further comparison between the seahorse body size and weight (wet) with respect to the width parameter Δh(q) and the second-order Hurst exponent h(q=2) underscores the versatility of MFDFA as a robust statistical tool to analyze bioacoustic observations.

  5. Fast determination of four polar contaminants in soy nutraceutical products by liquid chromatography coupled to tandem mass spectrometry.

    PubMed

    Domingos Alves, Renata; Romero-González, Roberto; López-Ruiz, Rosalía; Jiménez-Medina, M L; Garrido Frenich, Antonia

    2016-11-01

    An analytical method based on a modified QuPPe (quick polar pesticide) extraction procedure coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) was evaluated for the determination of four polar compounds (chlorate, fosetyl-Al, maleic hydrazide, and perchlorate) in nutraceutical products obtained from soy. Experimental conditions including extraction such as solvent, acidification, time, and clean-up sorbents were varied. Acidified acetonitrile (1 % formic acid, v/v) was used as extraction solvent instead of methanol (conventional QuPPe), which provides a doughy mixture which cannot be injected into the LC. Clean-up or derivatization steps were avoided. For analysis, several stationary phases were evaluated and Hypercarb (porous graphitic carbon) provided the best results. The optimized method was validated and recoveries ranged between 46 and 119 %, and correction factors can be used for quantification purposes bearing in mind that inter-day precision was equal to or lower than 17 %. Limits of quantification (LOQs) ranged from 4 to 100 μg kg -1 . Soy-based nutraceutical products were analyzed and chlorate was detected in five samples at concentrations between 63 and 1642 μg kg -1 . Graphical Abstract Analysis of polar compounds in soy-based nutraceutical products.

  6. Investigation on the antidepressant effect of sea buckthorn seed oil through the GC-MS-based metabolomics approach coupled with multivariate analysis.

    PubMed

    Tian, Jun-sheng; Liu, Cai-chun; Xiang, Huan; Zheng, Xiao-fen; Peng, Guo-jiang; Zhang, Xiang; Du, Guan-hua; Qin, Xue-mei

    2015-11-01

    Depression is one of the prevalent and serious mental disorders and the number of depressed patients has been on the rise globally during the recent decades. Sea buckthorn seed oil from traditional Chinese medicine (TCM) is edible and has been widely used for treatment of different diseases for a long time. However, there are few published reports on the antidepressant effect of sea buckthorn seed oil. With the objective of finding potential biomarkers of the therapeutic response of sea buckthorn seed oil in chronic unpredictable mild stress (CUMS) rats, urine metabolomics based on gas chromatography-mass spectrometry (GC-MS) coupled with multivariate analysis was applied. In this study, we discovered a higher level of pimelic acid as well as palmitic acid and a lower level of suberic acid, citrate, phthalic acid, cinnamic acid and Sumiki's acid in urine of rats exposed to CUMS procedures after sea buckthorn seed oil was administered. These changes of metabolites are involved in energy metabolism, fatty acid metabolism and other metabolic pathways as well as in the synthesis of neurotransmitters and it is helpful to facilitate the efficacy evaluation and mechanism elucidating the effect of sea buckthorn seed oil for depression management.

  7. Application of satellite data to tropic/subtropic moisture coupling

    NASA Technical Reports Server (NTRS)

    Mcguirk, J. P.; Thompson, A. H.

    1985-01-01

    The objective is to develop analysis tools for use of satellite data to interpret synoptic-scale systems in data-void regions. Interim goals are to: (1) quantify the synoptic information content of satellite data; and (2) utilize these data in the diagnosis of moisture bursts in the eastern tropical Pacific Ocean. Researchers developed and implemented a statistical procedure for using TIROS N microwave data to infer infrared channel data for overcast conditions; they used the same procedure for deducing full TIROS N channel radiance profiles from NOAA 5 VTPR channel data over regions where the TIROS N data are missing. An empirical orthogonal function analysis of twice-daily channel radiance fields over the tropical eastern Pacific was completed. The vertically oriented eigenfunctions were interpreted in terms of typical meteorological events. The horizontal distribution of the eigenfunction amplitudes relates these meteorological signals to moisture bursts. A pair of moisture burst climatologies is complete: one of four years using infrared imagery (including the highly anomalous 1982 to 83 cold season); the other implementing 850 to 200 mb wind analyses in conjunction with GOES imagery. A number of different evaluations of the synoptic evolution of moisture fields (enhanced infrared imagery, moisture channel data, FGGE humidity analysis, and in situ station and sounding observations) are compared. All have limitations; all can be utilized together; all together are still less than adequate in the tropical Pacific.

  8. 40 CFR 201.26 - Procedures for the measurement on receiving property of retarder and car coupling noise.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ....467 +6 1 Ladj ave max = Lave max +C in dB. Values in Table 2 were calculated from [C=10 log n/T] with... max for Retarders and Car Coupling Impacts 1 [n/T = number of measurements/measurement duration (min... divided by the duration of the measurement period (n/T), to obtain the adjusted average maximum A-weighted...

  9. Symplectic Quantization of a Vector-Tensor Gauge Theory with Topological Coupling

    NASA Astrophysics Data System (ADS)

    Barcelos-Neto, J.; Silva, M. B. D.

    We use the symplectic formalism to quantize a gauge theory where vectors and tensors fields are coupled in a topological way. This is an example of reducible theory and a procedure like of ghosts-of-ghosts of the BFV method is applied but in terms of Lagrange multipliers. Our final results are in agreement with the ones found in the literature by using the Dirac method.

  10. UNO DMRG CASCI calculations of effective exchange integrals for m-phenylene-bis-methylene spin clusters

    NASA Astrophysics Data System (ADS)

    Kawakami, Takashi; Sano, Shinsuke; Saito, Toru; Sharma, Sandeep; Shoji, Mitsuo; Yamada, Satoru; Takano, Yu; Yamanaka, Shusuke; Okumura, Mitsutaka; Nakajima, Takahito; Yamaguchi, Kizashi

    2017-09-01

    Theoretical examinations of the ferromagnetic coupling in the m-phenylene-bis-methylene molecule and its oligomer were carried out. These systems are good candidates for exchange-coupled systems to investigate strong electronic correlations. We studied effective exchange integrals (J), which indicated magnetic coupling between interacting spins in these species. First, theoretical calculations based on a broken-symmetry single-reference procedure, i.e. the UHF, UMP2, UMP4, UCCSD(T) and UB3LYP methods, were carried out with a GAUSSIAN program code under an SR wave function. From these results, the J value by the UHF method was largely positive because of the strong ferromagnetic spin polarisation effect. The J value by the UCCSD(T) and UB3LYP methods improved an overestimation problem by correcting the dynamical electronic correlation. Next, magnetic coupling among these spins was studied using the CAS-based method of the symmetry-adapted multireference methods procedure. Thus, the UNO DMRG CASCI (UNO, unrestricted natural orbital; DMRG, density matrix renormalised group; CASCI, complete active space configuration interaction) method was mainly employed with a combination of ORCA and BLOCK program codes. DMRG CASCI calculations in valence electron counting, which included all orbitals to full valence CI, provided the most reliable result, and support the UB3LYP method for extended systems.

  11. High-speed counter-current chromatography coupled online to high performance liquid chromatography-diode array detector-mass spectrometry for purification, analysis and identification of target compounds from natural products.

    PubMed

    Liang, Xuejuan; Zhang, Yuping; Chen, Wei; Cai, Ping; Zhang, Shuihan; Chen, Xiaoqin; Shi, Shuyun

    2015-03-13

    A challenge in coupling high-speed counter-current chromatography (HSCCC) online with high performance liquid chromatography (HPLC) for purity analysis was their time incompatibility. Consequently, HSCCC-HPLC was conducted by either controlling HPLC analysis time and HSCCC flow rate or using stop-and-go scheme. For natural products containing compounds with a wide range of polarities, the former would optimize experimental conditions, while the latter required more time. Here, a novel HSCCC-HPLC-diode array detector-mass spectrometry (HSCCC-HPLC-DAD-MS) was developed for undisrupted purification, analysis and identification of multi-compounds from natural products. Two six-port injection valves and a six-port switching valve were used as interface for collecting key HSCCC effluents alternatively for HPLC-DAD-MS analysis and identification. The ethyl acetate extract of Malus doumeri was performed on the hyphenated system to verify its efficacy. Five main flavonoids, 3-hydroxyphloridzin (1), phloridzin (2), 4',6'-dihydroxyhydrochalcone-2'-O-β-D-glucopyranoside (3, first found in M. doumeri), phloretin (4), and chrysin (5), were purified with purities over 99% by extrusion elution and/or stepwise elution mode in two-step HSCCC, and 25mM ammonium acetate solution was selected instead of water to depress emulsification in the first HSCCC. The online system shortened manipulation time largely compared with off-line analysis procedure and stop-and-go scheme. The results indicated that the present method could serve as a simple, rapid and effective way to achieve target compounds with high purity from natural products. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Assisted Reproduction: What factors interfere in the professional's decisions? Are single women an issue?

    PubMed Central

    2011-01-01

    Background With the development of medical technology, many countries around the world have been implementing ethical guidelines and laws regarding Medically Assisted Reproduction (MAR). A physician's reproductive decisions are not solely based on technical criteria but are also influenced by society values. Therefore, the aim of this study was to analyze the factors prioritized by MAR professionals when deciding on whether to accept to perform assisted reproduction and to show any existing cultural differences. Methods Cross-sectional study involving 224 healthcare professionals working with assisted reproduction in Brazil, Italy, Germany and Greece. Instrument used for data collection: a questionnaire, followed by the description of four special MAR cases (a single woman, a lesbian couple, an HIV discordant couple and gender selection) which included case-specific questions regarding the professionals' decision on whether to perform the requested procedure as well as the following factors: socio-demographic variables, moral and legal values as well as the technical aspects which influence decision-making. Results Only the case involving a single woman who wishes to have a child (without the intention of having a partner in the future) demonstrated significant differences. Therefore, the study was driven towards the results of this case specifically. The analyses we performed demonstrated that professionals holding a Master's Degree, those younger in age, female professionals, those having worked for less time in reproduction, those in private clinics and Brazilian health professionals all had a greater tendency to perform the procedure in that case. A multivariate analysis demonstrated that the reasons for the professional's decision to perform the procedure were the woman's right to gestate and the duty of MAR professionals to help her. The professionals who decided not to perform the procedure identified the woman's marital status and the child's right to a father as the reason to withhold treatment. Conclusion The study indicates differences among countries in the evaluation of the single woman case. It also discloses the undervaluation of bioethics committees and the need for a greater participation of healthcare professionals in debates on assisted reproduction laws. PMID:21627812

  13. Total sulfur determination in gasoline, kerosene and diesel fuel using inductively coupled plasma optical emission spectrometry after direct sample introduction as detergent emulsions

    NASA Astrophysics Data System (ADS)

    Santelli, Ricardo Erthal; Oliveira, Eliane Padua; de Carvalho, Maria de Fátima Batista; Bezerra, Marcos Almeida; Freire, Aline Soares

    2008-07-01

    Herein, we present the development of a procedure for the determination of total sulfur in petroleum-derived products (gasoline, kerosene and diesel fuel) employing inductively coupled plasma optical emission spectrometry (ICP OES). For this procedure, samples were prepared as emulsions that were made using concentrated nitric acid, Triton X-100, sample, and ultra pure water in proportions of 5/10/7/78% (v/v), respectively. Sample volumes were weighed because of the density differences, and oxygen was added to the sheat gas entrance of the ICP OES in order to decrease carbon deposition in the torch and to minimize background effects. A Doehlert design was applied as an experimental matrix to investigate the flow ratios of argon (sheat and plasma gas) and oxygen in relation to the signal-to-background ratio. A comparative study among the slopes of the analytical curves built in aqueous media, surfactant/HNO 3, and by spike addition for several sample emulsions indicates that a unique solution of surfactant in acidic media can be employed to perform the external calibration for analysis of the emulsions. The developed procedure allows for the determination of the total sulfur content in petroleum derivatives with a limit of detection (LOD) and limit of quantification (LOQ) of 0.72 and 2.4 μg g - 1 , respectively. Precision values, expressed as the relative standard deviations (% RSD, n = 10) for 12 and 400 μg g - 1 , were 2.2% and 1.3%, respectively. The proposed procedure was applied toward the determination of total sulfur in samples of gasoline, kerosene, and diesel fuel commercialized in the city of Niterói/RJ, Brazil. The accuracy of the proposed method was evaluated by the determination of the total sulfur in three different standard reference materials (SRM): NIST 2723a (sulfur in diesel fuel oil), NIST 1616b (sulfur in kerosene), and NIST 2298 (sulfur in gasoline). The data indicate that the methodology can be successfully applied to these types of samples. Spiking tests, conducted with the analyzed samples, indicate that recoveries are between 97 and 103%.

  14. Assisted reproduction: what factors interfere in the professional's decisions? Are single women an issue?

    PubMed

    Záchia, Suzana; Knauth, Daniela; Goldim, José R; Chachamovich, Juliana R; Chachamovich, Eduardo; Paz, Ana H; Felberbaum, Ricardo; Crosignani, PierGiorgio; Tarlatzis, Basil C; Passos, Eduardo P

    2011-05-31

    With the development of medical technology, many countries around the world have been implementing ethical guidelines and laws regarding Medically Assisted Reproduction (MAR). A physician's reproductive decisions are not solely based on technical criteria but are also influenced by society values. Therefore, the aim of this study was to analyze the factors prioritized by MAR professionals when deciding on whether to accept to perform assisted reproduction and to show any existing cultural differences. Cross-sectional study involving 224 healthcare professionals working with assisted reproduction in Brazil, Italy, Germany and Greece. Instrument used for data collection: a questionnaire, followed by the description of four special MAR cases (a single woman, a lesbian couple, an HIV discordant couple and gender selection) which included case-specific questions regarding the professionals' decision on whether to perform the requested procedure as well as the following factors: socio-demographic variables, moral and legal values as well as the technical aspects which influence decision-making. Only the case involving a single woman who wishes to have a child (without the intention of having a partner in the future) demonstrated significant differences. Therefore, the study was driven towards the results of this case specifically. The analyses we performed demonstrated that professionals holding a Master's Degree, those younger in age, female professionals, those having worked for less time in reproduction, those in private clinics and Brazilian health professionals all had a greater tendency to perform the procedure in that case. A multivariate analysis demonstrated that the reasons for the professional's decision to perform the procedure were the woman's right to gestate and the duty of MAR professionals to help her. The professionals who decided not to perform the procedure identified the woman's marital status and the child's right to a father as the reason to withhold treatment. The study indicates differences among countries in the evaluation of the single woman case. It also discloses the undervaluation of bioethics committees and the need for a greater participation of healthcare professionals in debates on assisted reproduction laws.

  15. Experimental investigation of spin-orbit coupling in n-type PbTe quantum wells

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

    Peres, M. L.; Monteiro, H. S.; Castro, S. de

    2014-03-07

    The spin-orbit coupling is studied experimentally in two PbTe quantum wells by means of weak antilocalization effect. Using the Hikami-Larkin-Nagaoka model through a computational global optimization procedure, we extracted the spin-orbit and inelastic scattering times and estimated the strength of the zero field spin-splitting energy Δ{sub so}. The values of Δ{sub so} are linearly dependent on the Fermi wave vector (k{sub F}) confirming theoretical predictions of the existence of large spin-orbit coupling in IV-VI quantum wells originated from pure Rashba effect.

  16. System Simulation by Recursive Feedback: Coupling A Set of Stand-Alone Subsystem Simulations

    NASA Technical Reports Server (NTRS)

    Nixon, Douglas D.; Hanson, John M. (Technical Monitor)

    2002-01-01

    Recursive feedback is defined and discussed as a framework for development of specific algorithms and procedures that propagate the time-domain solution for a dynamical system simulation consisting of multiple numerically coupled self-contained stand-alone subsystem simulations. A satellite motion example containing three subsystems (other dynamics, attitude dynamics, and aerodynamics) has been defined and constructed using this approach. Conventional solution methods are used in the subsystem simulations. Centralized and distributed versions of coupling structure have been addressed. Numerical results are evaluated by direct comparison with a standard total-system simultaneous-solution approach.

  17. Probability density function approach for compressible turbulent reacting flows

    NASA Technical Reports Server (NTRS)

    Hsu, A. T.; Tsai, Y.-L. P.; Raju, M. S.

    1994-01-01

    The objective of the present work is to extend the probability density function (PDF) tubulence model to compressible reacting flows. The proability density function of the species mass fractions and enthalpy are obtained by solving a PDF evolution equation using a Monte Carlo scheme. The PDF solution procedure is coupled with a compression finite-volume flow solver which provides the velocity and pressure fields. A modeled PDF equation for compressible flows, capable of treating flows with shock waves and suitable to the present coupling scheme, is proposed and tested. Convergence of the combined finite-volume Monte Carlo solution procedure is discussed. Two super sonic diffusion flames are studied using the proposed PDF model and the results are compared with experimental data; marked improvements over solutions without PDF are observed.

  18. Intracytoplasmic sperm injection for treatment of the infertile male.

    PubMed

    Kim, E D; Lamb, D J; Lipshultz, L I

    1997-07-01

    Intracytoplasmic sperm injection (ICSI) with in vitro fertilization represents one of the most significant advances in fertility technology. In this relatively new procedure, a single viable sperm is microinjected into an oocyte that has been extracted transvaginally. After fertilization occurs, the embryo is transferred into the uterus. This procedure now affords men who were previously thought to be irreversibly infertile the chance to initiate their own biologic pregnancy. However, because of the procedure's significant costs and its potential risk to the mother, careful selection of couples following a thorough male factor evaluation is mandatory.

  19. CELFE: Coupled Eulerian-Lagrangian Finite Element program for high velocity impact. Part 2: Program user's manual

    NASA Technical Reports Server (NTRS)

    Lee, C. H.

    1978-01-01

    The CELFE computer program and user's manual, together with the execution of the CELFE/NASTRAN system, are described. The execution procedure and the transfer of data between the CELFE and NASTRAN programs are controlled through the use of DATA files in the Univac 1100 system. Five data files are used to control the runstream and data transfer, and three files are used to hold the programs. These files are contained on a single tape. Changes in NASTRAN routines required by the present analysis are also discussed in this report. All the program listings, except the last two files (where the absolute and relocatable elements are stored), are included in the appendixes.

  20. A Facile Two-Step Method to Implement N√ {iSWAP} and N√ {SWAP} Gates in a Circuit QED

    NASA Astrophysics Data System (ADS)

    Said, T.; Chouikh, A.; Bennai, M.

    2018-05-01

    We propose a way for implementing a two-step N√ {iSWAP} and N √ {SWAP} gates based on the qubit-qubit interaction with N superconducting qubits, by coupling them to a resonator driven by a strong microwave field. The operation times do not increase with the growth of the qubit number. Due to the virtual excitations of the resonator, the scheme is insensitive to the decay of the resonator. Numerical analysis shows that the scheme can be implemented with high fidelity. Moreover, we propose a detailed procedure and analyze the experimental feasibility. So, our proposal can be experimentally realized in the range of current circuit QED techniques.

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